parameters should be spelled in capitals
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@ -135,8 +135,8 @@ subroutine HDF5_utilities_init()
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call H5Tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
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call HDF5_chkerr(hdferr)
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if (int(storage_size(0.0_pReal),SIZE_T)/=typeSize*8) &
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error stop 'pReal does not match H5T_NATIVE_DOUBLE'
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if (int(storage_size(0.0_pREAL),SIZE_T)/=typeSize*8) &
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error stop 'pREAL does not match H5T_NATIVE_DOUBLE'
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call H5get_libversion_f(HDF5_major,HDF5_minor,HDF5_release,hdferr)
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call HDF5_chkerr(hdferr)
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@ -443,7 +443,7 @@ subroutine HDF5_addAttribute_real(loc_id,attrLabel,attrValue,path)
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integer(HID_T), intent(in) :: loc_id
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character(len=*), intent(in) :: attrLabel
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real(pReal), intent(in) :: attrValue
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real(pREAL), intent(in) :: attrValue
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character(len=*), intent(in), optional :: path
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integer(HID_T) :: attr_id, space_id
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@ -576,7 +576,7 @@ subroutine HDF5_addAttribute_real_array(loc_id,attrLabel,attrValue,path)
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integer(HID_T), intent(in) :: loc_id
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character(len=*), intent(in) :: attrLabel
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real(pReal), intent(in), dimension(:) :: attrValue
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real(pREAL), intent(in), dimension(:) :: attrValue
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character(len=*), intent(in), optional :: path
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integer(HSIZE_T),dimension(1) :: array_size
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@ -640,7 +640,7 @@ end subroutine HDF5_setLink
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_read_real1(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(out), dimension(:) :: dataset !< data read from file
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real(pREAL), intent(out), dimension(:) :: dataset !< data read from file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -674,7 +674,7 @@ end subroutine HDF5_read_real1
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_read_real2(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(out), dimension(:,:) :: dataset !< data read from file
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real(pREAL), intent(out), dimension(:,:) :: dataset !< data read from file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -708,7 +708,7 @@ end subroutine HDF5_read_real2
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_read_real3(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(out), dimension(:,:,:) :: dataset !< data read from file
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real(pREAL), intent(out), dimension(:,:,:) :: dataset !< data read from file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -742,7 +742,7 @@ end subroutine HDF5_read_real3
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_read_real4(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(out), dimension(:,:,:,:) :: dataset !< read data
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real(pREAL), intent(out), dimension(:,:,:,:) :: dataset !< read data
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -777,7 +777,7 @@ end subroutine HDF5_read_real4
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_read_real5(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(out), dimension(:,:,:,:,:) :: dataset !< data read from file
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real(pREAL), intent(out), dimension(:,:,:,:,:) :: dataset !< data read from file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -812,7 +812,7 @@ end subroutine HDF5_read_real5
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_read_real6(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(out), dimension(:,:,:,:,:,:) :: dataset !< data read from file
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real(pREAL), intent(out), dimension(:,:,:,:,:,:) :: dataset !< data read from file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -847,7 +847,7 @@ end subroutine HDF5_read_real6
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_read_real7(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(out), dimension(:,:,:,:,:,:,:) :: dataset !< data read from file
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real(pREAL), intent(out), dimension(:,:,:,:,:,:,:) :: dataset !< data read from file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -1126,7 +1126,7 @@ end subroutine HDF5_read_int7
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_real1(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(in), dimension(:) :: dataset !< data written to file
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real(pREAL), intent(in), dimension(:) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -1163,7 +1163,7 @@ end subroutine HDF5_write_real1
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_real2(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(in), dimension(:,:) :: dataset !< data written to file
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real(pREAL), intent(in), dimension(:,:) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -1200,7 +1200,7 @@ end subroutine HDF5_write_real2
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_real3(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(in), dimension(:,:,:) :: dataset !< data written to file
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real(pREAL), intent(in), dimension(:,:,:) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -1237,7 +1237,7 @@ end subroutine HDF5_write_real3
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_real4(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(in), dimension(:,:,:,:) :: dataset !< data written to file
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real(pREAL), intent(in), dimension(:,:,:,:) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -1275,7 +1275,7 @@ end subroutine HDF5_write_real4
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_real5(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(in), dimension(:,:,:,:,:) :: dataset !< data written to file
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real(pREAL), intent(in), dimension(:,:,:,:,:) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -1312,7 +1312,7 @@ end subroutine HDF5_write_real5
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_real6(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(in), dimension(:,:,:,:,:,:) :: dataset !< data written to file
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real(pREAL), intent(in), dimension(:,:,:,:,:,:) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -1349,7 +1349,7 @@ end subroutine HDF5_write_real6
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_real7(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(in), dimension(:,:,:,:,:,:,:) :: dataset !< data written to file
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real(pREAL), intent(in), dimension(:,:,:,:,:,:,:) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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@ -1388,7 +1388,7 @@ end subroutine HDF5_write_real7
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_real(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(in), dimension(..) :: dataset !< data written to file
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real(pREAL), intent(in), dimension(..) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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20
src/IO.f90
20
src/IO.f90
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@ -274,7 +274,7 @@ end function IO_intValue
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!--------------------------------------------------------------------------------------------------
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!> @brief Read real value at myChunk from string.
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!--------------------------------------------------------------------------------------------------
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real(pReal) function IO_realValue(str,chunkPos,myChunk)
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real(pREAL) function IO_realValue(str,chunkPos,myChunk)
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character(len=*), intent(in) :: str !< raw input with known start and end of each chunk
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integer, dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string
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@ -373,7 +373,7 @@ end function IO_strAsInt
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!--------------------------------------------------------------------------------------------------
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!> @brief Return real value from given string.
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!--------------------------------------------------------------------------------------------------
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real(pReal) function IO_strAsReal(str)
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real(pREAL) function IO_strAsReal(str)
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character(len=*), intent(in) :: str !< string for conversion to real value
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@ -385,7 +385,7 @@ real(pReal) function IO_strAsReal(str)
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read(str,*,iostat=readStatus) IO_strAsReal
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if (readStatus /= 0) call IO_error(112,str)
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else valid
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IO_strAsReal = 0.0_pReal
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IO_strAsReal = 0.0_pREAL
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call IO_error(112,str)
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end if valid
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@ -733,12 +733,12 @@ subroutine selfTest()
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character(len=:), allocatable :: str,out
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if (dNeq(1.0_pReal, IO_strAsReal('1.0'))) error stop 'IO_strAsReal'
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if (dNeq(1.0_pReal, IO_strAsReal('1e0'))) error stop 'IO_strAsReal'
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if (dNeq(0.1_pReal, IO_strAsReal('1e-1'))) error stop 'IO_strAsReal'
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if (dNeq(0.1_pReal, IO_strAsReal('1.0e-1'))) error stop 'IO_strAsReal'
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if (dNeq(0.1_pReal, IO_strAsReal('1.00e-1'))) error stop 'IO_strAsReal'
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if (dNeq(10._pReal, IO_strAsReal(' 1.0e+1 '))) error stop 'IO_strAsReal'
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if (dNeq(1.0_pREAL, IO_strAsReal('1.0'))) error stop 'IO_strAsReal'
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if (dNeq(1.0_pREAL, IO_strAsReal('1e0'))) error stop 'IO_strAsReal'
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if (dNeq(0.1_pREAL, IO_strAsReal('1e-1'))) error stop 'IO_strAsReal'
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if (dNeq(0.1_pREAL, IO_strAsReal('1.0e-1'))) error stop 'IO_strAsReal'
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if (dNeq(0.1_pREAL, IO_strAsReal('1.00e-1'))) error stop 'IO_strAsReal'
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if (dNeq(10._pREAL, IO_strAsReal(' 1.0e+1 '))) error stop 'IO_strAsReal'
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if (3112019 /= IO_strAsInt( '3112019')) error stop 'IO_strAsInt'
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if (3112019 /= IO_strAsInt(' 3112019')) error stop 'IO_strAsInt'
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@ -760,7 +760,7 @@ subroutine selfTest()
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str = ' 1.0 xxx'
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chunkPos = IO_strPos(str)
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if (dNeq(1.0_pReal,IO_realValue(str,chunkPos,1))) error stop 'IO_realValue'
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if (dNeq(1.0_pREAL,IO_realValue(str,chunkPos,1))) error stop 'IO_realValue'
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str = 'M 3112019 F'
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chunkPos = IO_strPos(str)
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@ -12,11 +12,11 @@ module LAPACK_interface
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character, intent(in) :: jobvl,jobvr
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integer, intent(in) :: n,lda,ldvl,ldvr,lwork
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real(pReal), intent(inout), dimension(lda,n) :: a
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real(pReal), intent(out), dimension(n) :: wr,wi
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real(pReal), intent(out), dimension(ldvl,n) :: vl
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real(pReal), intent(out), dimension(ldvr,n) :: vr
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real(pReal), intent(out), dimension(max(1,lwork)) :: work
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real(pREAL), intent(inout), dimension(lda,n) :: a
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real(pREAL), intent(out), dimension(n) :: wr,wi
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real(pREAL), intent(out), dimension(ldvl,n) :: vl
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real(pREAL), intent(out), dimension(ldvr,n) :: vr
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real(pREAL), intent(out), dimension(max(1,lwork)) :: work
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integer, intent(out) :: info
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end subroutine dgeev
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@ -25,9 +25,9 @@ module LAPACK_interface
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implicit none(type,external)
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integer, intent(in) :: n,nrhs,lda,ldb
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real(pReal), intent(inout), dimension(lda,n) :: a
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real(pREAL), intent(inout), dimension(lda,n) :: a
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integer, intent(out), dimension(n) :: ipiv
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real(pReal), intent(inout), dimension(ldb,nrhs) :: b
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real(pREAL), intent(inout), dimension(ldb,nrhs) :: b
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integer, intent(out) :: info
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end subroutine dgesv
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@ -36,7 +36,7 @@ module LAPACK_interface
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implicit none(type,external)
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integer, intent(in) :: m,n,lda
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real(pReal), intent(inout), dimension(lda,n) :: a
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real(pREAL), intent(inout), dimension(lda,n) :: a
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integer, intent(out), dimension(min(m,n)) :: ipiv
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integer, intent(out) :: info
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end subroutine dgetrf
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@ -46,9 +46,9 @@ module LAPACK_interface
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implicit none(type,external)
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integer, intent(in) :: n,lda,lwork
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real(pReal), intent(inout), dimension(lda,n) :: a
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real(pREAL), intent(inout), dimension(lda,n) :: a
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integer, intent(in), dimension(n) :: ipiv
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real(pReal), intent(out), dimension(max(1,lwork)) :: work
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real(pREAL), intent(out), dimension(max(1,lwork)) :: work
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integer, intent(out) :: info
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end subroutine dgetri
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@ -58,9 +58,9 @@ module LAPACK_interface
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character, intent(in) :: jobz,uplo
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integer, intent(in) :: n,lda,lwork
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real(pReal), intent(inout), dimension(lda,n) :: a
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real(pReal), intent(out), dimension(n) :: w
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real(pReal), intent(out), dimension(max(1,lwork)) :: work
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real(pREAL), intent(inout), dimension(lda,n) :: a
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real(pREAL), intent(out), dimension(n) :: w
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real(pREAL), intent(out), dimension(max(1,lwork)) :: work
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integer, intent(out) :: info
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end subroutine dsyev
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@ -233,32 +233,32 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
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matus, & !< (1) user material identification number, (2) internal material identification number
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kcus, & !< (1) layer number, (2) internal layer number
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lclass !< (1) element class, (2) 0: displacement, 1: low order Herrmann, 2: high order Herrmann
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real(pReal), dimension(*), intent(in) :: & ! has dimension(1) according to MSC.Marc 2012 Manual D, but according to example hypela2.f dimension(*)
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real(pREAL), dimension(*), intent(in) :: & ! has dimension(1) according to MSC.Marc 2012 Manual D, but according to example hypela2.f dimension(*)
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e, & !< total elastic strain
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de, & !< increment of strain
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dt !< increment of state variables
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real(pReal), dimension(itel), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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real(pREAL), dimension(itel), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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strechn, & !< square of principal stretch ratios, lambda(i) at t=n
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strechn1 !< square of principal stretch ratios, lambda(i) at t=n+1
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real(pReal), dimension(3,3), intent(in) :: & ! has dimension(itel,*) according to MSC.Marc 2012 Manual D, but we alway assume dimension(3,3)
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real(pREAL), dimension(3,3), intent(in) :: & ! has dimension(itel,*) according to MSC.Marc 2012 Manual D, but we alway assume dimension(3,3)
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ffn, & !< deformation gradient at t=n
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ffn1 !< deformation gradient at t=n+1
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real(pReal), dimension(itel,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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real(pREAL), dimension(itel,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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frotn, & !< rotation tensor at t=n
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eigvn, & !< i principal direction components for j eigenvalues at t=n
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frotn1, & !< rotation tensor at t=n+1
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eigvn1 !< i principal direction components for j eigenvalues at t=n+1
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real(pReal), dimension(ndeg,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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real(pREAL), dimension(ndeg,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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disp, & !< incremental displacements
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dispt !< displacements at t=n (at assembly, lovl=4) and displacements at t=n+1 (at stress recovery, lovl=6)
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real(pReal), dimension(ncrd,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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real(pREAL), dimension(ncrd,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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coord !< coordinates
|
||||
real(pReal), dimension(*), intent(inout) :: & ! according to MSC.Marc 2012 Manual D
|
||||
real(pREAL), dimension(*), intent(inout) :: & ! according to MSC.Marc 2012 Manual D
|
||||
t !< state variables (comes in at t=n, must be updated to have state variables at t=n+1)
|
||||
real(pReal), dimension(ndi+nshear), intent(out) :: & ! has dimension(*) according to MSC.Marc 2012 Manual D, but we need to loop over it
|
||||
real(pREAL), dimension(ndi+nshear), intent(out) :: & ! has dimension(*) according to MSC.Marc 2012 Manual D, but we need to loop over it
|
||||
s, & !< stress - should be updated by user
|
||||
g !< change in stress due to temperature effects
|
||||
real(pReal), dimension(ngens,ngens), intent(out) :: & ! according to MSC.Marc 2012 Manual D, but according to example hypela2.f dimension(ngens,*)
|
||||
real(pREAL), dimension(ngens,ngens), intent(out) :: & ! according to MSC.Marc 2012 Manual D, but according to example hypela2.f dimension(ngens,*)
|
||||
d !< stress-strain law to be formed
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -269,17 +269,17 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
|
|||
#include QUOTE(PASTE(include/creeps,MARC4DAMASK)) ! creeps is needed for timinc (time increment)
|
||||
|
||||
logical :: cutBack
|
||||
real(pReal), dimension(6) :: stress
|
||||
real(pReal), dimension(6,6) :: ddsdde
|
||||
real(pREAL), dimension(6) :: stress
|
||||
real(pREAL), dimension(6,6) :: ddsdde
|
||||
integer :: computationMode, i, node, CPnodeID
|
||||
integer(pI32) :: defaultNumThreadsInt !< default value set by Marc
|
||||
|
||||
integer, save :: &
|
||||
theInc = -1, & !< needs description
|
||||
lastLovl = 0 !< lovl in previous call to marc hypela2
|
||||
real(pReal), save :: &
|
||||
theTime = 0.0_pReal, & !< needs description
|
||||
theDelta = 0.0_pReal
|
||||
real(pREAL), save :: &
|
||||
theTime = 0.0_pREAL, & !< needs description
|
||||
theDelta = 0.0_pREAL
|
||||
logical, save :: &
|
||||
lastIncConverged = .false., & !< needs description
|
||||
outdatedByNewInc = .false., & !< needs description
|
||||
|
@ -351,8 +351,8 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
|
|||
|
||||
d = ddsdde(1:ngens,1:ngens)
|
||||
s = stress(1:ndi+nshear)
|
||||
g = 0.0_pReal
|
||||
if (symmetricSolver) d = 0.5_pReal*(d+transpose(d))
|
||||
g = 0.0_pREAL
|
||||
if (symmetricSolver) d = 0.5_pREAL*(d+transpose(d))
|
||||
|
||||
call omp_set_num_threads(defaultNumThreadsInt) ! reset number of threads to stored default value
|
||||
|
||||
|
@ -368,18 +368,18 @@ subroutine flux(f,ts,n,time)
|
|||
use discretization_Marc
|
||||
|
||||
implicit none(type,external)
|
||||
real(pReal), dimension(6), intent(in) :: &
|
||||
real(pREAL), dimension(6), intent(in) :: &
|
||||
ts
|
||||
integer(pI64), dimension(10), intent(in) :: &
|
||||
n
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
time
|
||||
real(pReal), dimension(2), intent(out) :: &
|
||||
real(pREAL), dimension(2), intent(out) :: &
|
||||
f
|
||||
|
||||
|
||||
f(1) = homogenization_f_T(discretization_Marc_FEM2DAMASK_cell(int(n(3)),int(n(1))))
|
||||
f(2) = 0.0_pReal
|
||||
f(2) = 0.0_pREAL
|
||||
|
||||
end subroutine flux
|
||||
|
||||
|
@ -402,7 +402,7 @@ subroutine uedinc(inc,incsub)
|
|||
|
||||
integer :: n, nqncomp, nqdatatype
|
||||
integer, save :: inc_written
|
||||
real(pReal), allocatable, dimension(:,:) :: d_n
|
||||
real(pREAL), allocatable, dimension(:,:) :: d_n
|
||||
#include QUOTE(PASTE(include/creeps,MARC4DAMASK)) ! creeps is needed for timinc (time increment)
|
||||
|
||||
|
||||
|
@ -411,7 +411,7 @@ subroutine uedinc(inc,incsub)
|
|||
do n = lbound(discretization_Marc_FEM2DAMASK_node,1), ubound(discretization_Marc_FEM2DAMASK_node,1)
|
||||
if (discretization_Marc_FEM2DAMASK_node(n) /= -1) then
|
||||
call nodvar(1,n,d_n(1:3,discretization_Marc_FEM2DAMASK_node(n)),nqncomp,nqdatatype)
|
||||
if (nqncomp == 2) d_n(3,discretization_Marc_FEM2DAMASK_node(n)) = 0.0_pReal
|
||||
if (nqncomp == 2) d_n(3,discretization_Marc_FEM2DAMASK_node(n)) = 0.0_pREAL
|
||||
end if
|
||||
end do
|
||||
|
||||
|
|
|
@ -20,7 +20,7 @@ module discretization_Marc
|
|||
implicit none(type,external)
|
||||
private
|
||||
|
||||
real(pReal), public, protected :: &
|
||||
real(pREAL), public, protected :: &
|
||||
mesh_unitlength !< physical length of one unit in mesh MD: needs systematic_name
|
||||
|
||||
integer, dimension(:), allocatable, public, protected :: &
|
||||
|
@ -51,7 +51,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine discretization_Marc_init
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:), allocatable :: &
|
||||
node0_elem, & !< node x,y,z coordinates (initially!)
|
||||
node0_cell
|
||||
type(tElement) :: elem
|
||||
|
@ -61,11 +61,11 @@ subroutine discretization_Marc_init
|
|||
integer:: &
|
||||
Nelems !< total number of elements in the mesh
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:), allocatable :: &
|
||||
IP_reshaped
|
||||
integer, dimension(:,:), allocatable :: &
|
||||
connectivity_elem
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:,:,:), allocatable :: &
|
||||
unscaledNormals
|
||||
|
||||
type(tDict), pointer :: &
|
||||
|
@ -75,8 +75,8 @@ subroutine discretization_Marc_init
|
|||
print'(/,a)', ' <<<+- discretization_Marc init -+>>>'; flush(6)
|
||||
|
||||
num_commercialFEM => config_numerics%get_dict('commercialFEM',defaultVal = emptyDict)
|
||||
mesh_unitlength = num_commercialFEM%get_asReal('unitlength',defaultVal=1.0_pReal) ! set physical extent of a length unit in mesh
|
||||
if (mesh_unitlength <= 0.0_pReal) call IO_error(301,'unitlength')
|
||||
mesh_unitlength = num_commercialFEM%get_asReal('unitlength',defaultVal=1.0_pREAL) ! set physical extent of a length unit in mesh
|
||||
if (mesh_unitlength <= 0.0_pREAL) call IO_error(301,'unitlength')
|
||||
|
||||
call inputRead(elem,node0_elem,connectivity_elem,materialAt)
|
||||
nElems = size(connectivity_elem,2)
|
||||
|
@ -113,9 +113,9 @@ end subroutine discretization_Marc_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine discretization_Marc_updateNodeAndIpCoords(d_n)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: d_n
|
||||
real(pREAL), dimension(:,:), intent(in) :: d_n
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: node_cell
|
||||
real(pREAL), dimension(:,:), allocatable :: node_cell
|
||||
|
||||
|
||||
node_cell = buildCellNodes(discretization_NodeCoords0(1:3,1:maxval(discretization_Marc_FEM2DAMASK_node)) + d_n)
|
||||
|
@ -134,7 +134,7 @@ function discretization_Marc_FEM2DAMASK_cell(IP_FEM,elem_FEM) result(cell)
|
|||
integer, intent(in) :: IP_FEM, elem_FEM
|
||||
integer :: cell
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: node_cell
|
||||
real(pREAL), dimension(:,:), allocatable :: node_cell
|
||||
|
||||
|
||||
cell = (discretization_Marc_FEM2DAMASK_elem(elem_FEM)-1)*discretization_nIPs + IP_FEM
|
||||
|
@ -155,7 +155,7 @@ subroutine writeGeometry(elem, &
|
|||
integer, dimension(:,:), intent(in) :: &
|
||||
connectivity_elem, &
|
||||
connectivity_cell_reshaped
|
||||
real(pReal), dimension(:,:), intent(in) :: &
|
||||
real(pREAL), dimension(:,:), intent(in) :: &
|
||||
coordinates_nodes, &
|
||||
coordinates_points
|
||||
|
||||
|
@ -187,7 +187,7 @@ end subroutine writeGeometry
|
|||
subroutine inputRead(elem,node0_elem,connectivity_elem,materialAt)
|
||||
|
||||
type(tElement), intent(out) :: elem
|
||||
real(pReal), dimension(:,:), allocatable, intent(out) :: &
|
||||
real(pREAL), dimension(:,:), allocatable, intent(out) :: &
|
||||
node0_elem !< node x,y,z coordinates (initially!)
|
||||
integer, dimension(:,:), allocatable, intent(out) :: &
|
||||
connectivity_elem
|
||||
|
@ -535,7 +535,7 @@ end subroutine inputRead_mapNodes
|
|||
subroutine inputRead_elemNodes(nodes, &
|
||||
nNode,fileContent)
|
||||
|
||||
real(pReal), allocatable, dimension(:,:), intent(out) :: nodes
|
||||
real(pREAL), allocatable, dimension(:,:), intent(out) :: nodes
|
||||
integer, intent(in) :: nNode
|
||||
character(len=*), dimension(:), intent(in) :: fileContent !< file content, separated per lines
|
||||
|
||||
|
@ -914,8 +914,8 @@ end subroutine buildCells
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function buildCellNodes(node_elem)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: node_elem !< element nodes
|
||||
real(pReal), dimension(:,:), allocatable :: buildCellNodes !< cell node coordinates
|
||||
real(pREAL), dimension(:,:), intent(in) :: node_elem !< element nodes
|
||||
real(pREAL), dimension(:,:), allocatable :: buildCellNodes !< cell node coordinates
|
||||
|
||||
integer :: i, j, k, n
|
||||
|
||||
|
@ -927,13 +927,13 @@ pure function buildCellNodes(node_elem)
|
|||
do i = 1, size(cellNodeDefinition)
|
||||
do j = 1, size(cellNodeDefinition(i)%parents,1)
|
||||
n = n+1
|
||||
buildCellNodes(:,n) = 0.0_pReal
|
||||
buildCellNodes(:,n) = 0.0_pREAL
|
||||
do k = 1, size(cellNodeDefinition(i)%parents,2)
|
||||
buildCellNodes(:,n) = buildCellNodes(:,n) &
|
||||
+ buildCellNodes(:,cellNodeDefinition(i)%parents(j,k)) &
|
||||
* real(cellNodeDefinition(i)%weights(j,k),pReal)
|
||||
* real(cellNodeDefinition(i)%weights(j,k),pREAL)
|
||||
end do
|
||||
buildCellNodes(:,n) = buildCellNodes(:,n)/real(sum(cellNodeDefinition(i)%weights(j,:)),pReal)
|
||||
buildCellNodes(:,n) = buildCellNodes(:,n)/real(sum(cellNodeDefinition(i)%weights(j,:)),pREAL)
|
||||
end do
|
||||
end do
|
||||
|
||||
|
@ -945,8 +945,8 @@ end function buildCellNodes
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function buildIPcoordinates(node_cell)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: node_cell !< cell node coordinates
|
||||
real(pReal), dimension(:,:), allocatable :: buildIPcoordinates !< cell-center/IP coordinates
|
||||
real(pREAL), dimension(:,:), intent(in) :: node_cell !< cell node coordinates
|
||||
real(pREAL), dimension(:,:), allocatable :: buildIPcoordinates !< cell-center/IP coordinates
|
||||
|
||||
integer, dimension(:,:), allocatable :: connectivity_cell_reshaped
|
||||
integer :: i, n, NcellNodesPerCell,Ncells
|
||||
|
@ -959,12 +959,12 @@ pure function buildIPcoordinates(node_cell)
|
|||
allocate(buildIPcoordinates(3,Ncells))
|
||||
|
||||
do i = 1, size(connectivity_cell_reshaped,2)
|
||||
buildIPcoordinates(:,i) = 0.0_pReal
|
||||
buildIPcoordinates(:,i) = 0.0_pREAL
|
||||
do n = 1, size(connectivity_cell_reshaped,1)
|
||||
buildIPcoordinates(:,i) = buildIPcoordinates(:,i) &
|
||||
+ node_cell(:,connectivity_cell_reshaped(n,i))
|
||||
end do
|
||||
buildIPcoordinates(:,i) = buildIPcoordinates(:,i)/real(size(connectivity_cell_reshaped,1),pReal)
|
||||
buildIPcoordinates(:,i) = buildIPcoordinates(:,i)/real(size(connectivity_cell_reshaped,1),pREAL)
|
||||
end do
|
||||
|
||||
end function buildIPcoordinates
|
||||
|
@ -978,10 +978,10 @@ end function buildIPcoordinates
|
|||
pure function IPvolume(elem,node)
|
||||
|
||||
type(tElement), intent(in) :: elem
|
||||
real(pReal), dimension(:,:), intent(in) :: node
|
||||
real(pREAL), dimension(:,:), intent(in) :: node
|
||||
|
||||
real(pReal), dimension(elem%nIPs,size(connectivity_cell,3)) :: IPvolume
|
||||
real(pReal), dimension(3) :: x0,x1,x2,x3,x4,x5,x6,x7
|
||||
real(pREAL), dimension(elem%nIPs,size(connectivity_cell,3)) :: IPvolume
|
||||
real(pREAL), dimension(3) :: x0,x1,x2,x3,x4,x5,x6,x7
|
||||
|
||||
integer :: e,i
|
||||
|
||||
|
@ -1022,7 +1022,7 @@ pure function IPvolume(elem,node)
|
|||
IPvolume(i,e) = dot_product((x7-x1)+(x6-x0),math_cross((x7-x2), (x3-x0))) &
|
||||
+ dot_product((x6-x0), math_cross((x7-x2)+(x5-x0),(x7-x4))) &
|
||||
+ dot_product((x7-x1), math_cross((x5-x0), (x7-x4)+(x3-x0)))
|
||||
IPvolume(i,e) = IPvolume(i,e)/12.0_pReal
|
||||
IPvolume(i,e) = IPvolume(i,e)/12.0_pREAL
|
||||
end select
|
||||
end do
|
||||
end do
|
||||
|
@ -1037,11 +1037,11 @@ pure function IPareaNormal(elem,nElem,node)
|
|||
|
||||
type(tElement), intent(in) :: elem
|
||||
integer, intent(in) :: nElem
|
||||
real(pReal), dimension(:,:), intent(in) :: node
|
||||
real(pREAL), dimension(:,:), intent(in) :: node
|
||||
|
||||
real(pReal), dimension(3,elem%nIPneighbors,elem%nIPs,nElem) :: ipAreaNormal
|
||||
real(pREAL), dimension(3,elem%nIPneighbors,elem%nIPs,nElem) :: ipAreaNormal
|
||||
|
||||
real(pReal), dimension (3,size(elem%cellFace,1)) :: nodePos
|
||||
real(pREAL), dimension (3,size(elem%cellFace,1)) :: nodePos
|
||||
integer :: e,i,f,n,m
|
||||
|
||||
m = size(elem%cellFace,1)
|
||||
|
@ -1055,7 +1055,7 @@ pure function IPareaNormal(elem,nElem,node)
|
|||
case (1,2) ! 2D 3 or 4 node
|
||||
IPareaNormal(1,f,i,e) = nodePos(2,2) - nodePos(2,1) ! x_normal = y_connectingVector
|
||||
IPareaNormal(2,f,i,e) = -(nodePos(1,2) - nodePos(1,1)) ! y_normal = -x_connectingVector
|
||||
IPareaNormal(3,f,i,e) = 0.0_pReal
|
||||
IPareaNormal(3,f,i,e) = 0.0_pREAL
|
||||
case (3) ! 3D 4node
|
||||
IPareaNormal(1:3,f,i,e) = math_cross(nodePos(1:3,2) - nodePos(1:3,1), &
|
||||
nodePos(1:3,3) - nodePos(1:3,1))
|
||||
|
@ -1063,11 +1063,11 @@ pure function IPareaNormal(elem,nElem,node)
|
|||
! Get the normal of the quadrilateral face as the average of four normals of triangular
|
||||
! subfaces. Since the face consists only of two triangles, the sum has to be divided
|
||||
! by two. This procedure tries to compensate for probable non-planar cell surfaces
|
||||
IPareaNormal(1:3,f,i,e) = 0.0_pReal
|
||||
IPareaNormal(1:3,f,i,e) = 0.0_pREAL
|
||||
do n = 1, m
|
||||
IPareaNormal(1:3,f,i,e) = IPareaNormal(1:3,f,i,e) &
|
||||
+ math_cross(nodePos(1:3,mod(n+0,m)+1) - nodePos(1:3,n), &
|
||||
nodePos(1:3,mod(n+1,m)+1) - nodePos(1:3,n)) * 0.5_pReal
|
||||
nodePos(1:3,mod(n+1,m)+1) - nodePos(1:3,n)) * 0.5_pREAL
|
||||
end do
|
||||
end select
|
||||
end do
|
||||
|
|
|
@ -27,11 +27,11 @@ module materialpoint_Marc
|
|||
implicit none(type,external)
|
||||
private
|
||||
|
||||
real(pReal), dimension (:,:,:), allocatable, private :: &
|
||||
real(pREAL), dimension (:,:,:), allocatable, private :: &
|
||||
materialpoint_cs !< Cauchy stress
|
||||
real(pReal), dimension (:,:,:,:), allocatable, private :: &
|
||||
real(pREAL), dimension (:,:,:,:), allocatable, private :: &
|
||||
materialpoint_dcsdE !< Cauchy stress tangent
|
||||
real(pReal), dimension (:,:,:,:), allocatable, private :: &
|
||||
real(pREAL), dimension (:,:,:,:), allocatable, private :: &
|
||||
materialpoint_dcsdE_knownGood !< known good tangent
|
||||
|
||||
integer, public :: &
|
||||
|
@ -95,9 +95,9 @@ subroutine materialpoint_init()
|
|||
|
||||
print'(/,1x,a)', '<<<+- materialpoint init -+>>>'; flush(IO_STDOUT)
|
||||
|
||||
allocate(materialpoint_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
|
||||
allocate(materialpoint_dcsdE( 6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
|
||||
allocate(materialpoint_dcsdE_knownGood(6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
|
||||
allocate(materialpoint_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pREAL)
|
||||
allocate(materialpoint_dcsdE( 6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pREAL)
|
||||
allocate(materialpoint_dcsdE_knownGood(6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pREAL)
|
||||
|
||||
|
||||
end subroutine materialpoint_init
|
||||
|
@ -110,25 +110,25 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
|
|||
|
||||
integer, intent(in) :: elFE, & !< FE element number
|
||||
ip !< integration point number
|
||||
real(pReal), intent(in) :: dt !< time increment
|
||||
real(pReal), dimension (3,3), intent(in) :: ffn, & !< deformation gradient for t=t0
|
||||
real(pREAL), intent(in) :: dt !< time increment
|
||||
real(pREAL), dimension (3,3), intent(in) :: ffn, & !< deformation gradient for t=t0
|
||||
ffn1 !< deformation gradient for t=t1
|
||||
integer, intent(in) :: mode !< computation mode 1: regular computation plus aging of results
|
||||
real(pReal), intent(in) :: temperature_inp !< temperature
|
||||
real(pReal), dimension(6), intent(out) :: cauchyStress !< stress as 6 vector
|
||||
real(pReal), dimension(6,6), intent(out) :: jacobian !< jacobian as 66 tensor (Consistent tangent dcs/dE)
|
||||
real(pREAL), intent(in) :: temperature_inp !< temperature
|
||||
real(pREAL), dimension(6), intent(out) :: cauchyStress !< stress as 6 vector
|
||||
real(pREAL), dimension(6,6), intent(out) :: jacobian !< jacobian as 66 tensor (Consistent tangent dcs/dE)
|
||||
|
||||
real(pReal) J_inverse, & ! inverse of Jacobian
|
||||
real(pREAL) J_inverse, & ! inverse of Jacobian
|
||||
rnd
|
||||
real(pReal), dimension (3,3) :: Kirchhoff ! Piola-Kirchhoff stress
|
||||
real(pReal), dimension (3,3,3,3) :: H_sym, &
|
||||
real(pREAL), dimension (3,3) :: Kirchhoff ! Piola-Kirchhoff stress
|
||||
real(pREAL), dimension (3,3,3,3) :: H_sym, &
|
||||
H
|
||||
|
||||
integer elCP, & ! crystal plasticity element number
|
||||
i, j, k, l, m, n, ph, homog, mySource,ce
|
||||
|
||||
real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress if terminallyIll
|
||||
ODD_JACOBIAN = 1e50_pReal !< return value for jacobian if terminallyIll
|
||||
real(pREAL), parameter :: ODD_STRESS = 1e15_pREAL, & !< return value for stress if terminallyIll
|
||||
ODD_JACOBIAN = 1e50_pREAL !< return value for jacobian if terminallyIll
|
||||
|
||||
|
||||
elCP = discretization_Marc_FEM2DAMASK_elem(elFE)
|
||||
|
@ -149,7 +149,7 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
|
|||
|
||||
validCalculation: if (terminallyIll) then
|
||||
call random_number(rnd)
|
||||
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
|
||||
if (rnd < 0.5_pREAL) rnd = rnd - 1.0_pREAL
|
||||
materialpoint_cs(1:6,ip,elCP) = ODD_STRESS * rnd
|
||||
materialpoint_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
|
||||
|
||||
|
@ -161,7 +161,7 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
|
|||
terminalIllness: if (terminallyIll) then
|
||||
|
||||
call random_number(rnd)
|
||||
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
|
||||
if (rnd < 0.5_pREAL) rnd = rnd - 1.0_pREAL
|
||||
materialpoint_cs(1:6,ip,elCP) = ODD_STRESS * rnd
|
||||
materialpoint_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
|
||||
|
||||
|
@ -169,22 +169,22 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
|
|||
|
||||
! translate from P to sigma
|
||||
Kirchhoff = matmul(homogenization_P(1:3,1:3,ce), transpose(homogenization_F(1:3,1:3,ce)))
|
||||
J_inverse = 1.0_pReal / math_det33(homogenization_F(1:3,1:3,ce))
|
||||
J_inverse = 1.0_pREAL / math_det33(homogenization_F(1:3,1:3,ce))
|
||||
materialpoint_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.)
|
||||
|
||||
! translate from dP/dF to dCS/dE
|
||||
H = 0.0_pReal
|
||||
H = 0.0_pREAL
|
||||
do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3
|
||||
H(i,j,k,l) = H(i,j,k,l) &
|
||||
+ homogenization_F(j,m,ce) * homogenization_F(l,n,ce) &
|
||||
* homogenization_dPdF(i,m,k,n,ce) &
|
||||
- math_delta(j,l) * homogenization_F(i,m,ce) * homogenization_P(k,m,ce) &
|
||||
+ 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) &
|
||||
+ 0.5_pREAL * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) &
|
||||
+ Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k))
|
||||
end do; end do; end do; end do; end do; end do
|
||||
|
||||
forall(i=1:3, j=1:3,k=1:3,l=1:3) &
|
||||
H_sym(i,j,k,l) = 0.25_pReal * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k))
|
||||
H_sym(i,j,k,l) = 0.25_pREAL * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k))
|
||||
|
||||
materialpoint_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.)
|
||||
|
||||
|
@ -193,7 +193,7 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
|
|||
|
||||
end if
|
||||
|
||||
if (all(abs(materialpoint_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) &
|
||||
if (all(abs(materialpoint_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pREAL)) &
|
||||
call IO_warning(601,label1='element (CP)',ID1=elCP,label2='IP',ID2=ip)
|
||||
|
||||
cauchyStress = materialpoint_cs (1:6, ip,elCP)
|
||||
|
@ -219,7 +219,7 @@ end subroutine materialpoint_forward
|
|||
subroutine materialpoint_result(inc,time)
|
||||
|
||||
integer, intent(in) :: inc
|
||||
real(pReal), intent(in) :: time
|
||||
real(pREAL), intent(in) :: time
|
||||
|
||||
call result_openJobFile()
|
||||
call result_addIncrement(inc,time)
|
||||
|
|
|
@ -183,7 +183,7 @@ subroutine selfTest()
|
|||
s = '1'
|
||||
if (s%asInt() /= 1) error stop 'tScalar_asInt'
|
||||
if (s_pointer%asInt() /= 1) error stop 'tScalar_asInt(pointer)'
|
||||
if (dNeq(s%asReal(),1.0_pReal)) error stop 'tScalar_asReal'
|
||||
if (dNeq(s%asReal(),1.0_pREAL)) error stop 'tScalar_asReal'
|
||||
s = 'true'
|
||||
if (.not. s%asBool()) error stop 'tScalar_asBool'
|
||||
if (.not. s_pointer%asBool()) error stop 'tScalar_asBool(pointer)'
|
||||
|
@ -209,11 +209,11 @@ subroutine selfTest()
|
|||
call l%append(s1)
|
||||
call l%append(s2)
|
||||
if (l%length /= 2) error stop 'tList%len'
|
||||
if (dNeq(l%get_asReal(1),1.0_pReal)) error stop 'tList_get_asReal'
|
||||
if (dNeq(l%get_asReal(1),1.0_pREAL)) error stop 'tList_get_asReal'
|
||||
if (l%get_asInt(1) /= 1) error stop 'tList_get_asInt'
|
||||
if (l%get_asStr(2) /= '2') error stop 'tList_get_asStr'
|
||||
if (any(l%as1dInt() /= [1,2])) error stop 'tList_as1dInt'
|
||||
if (any(dNeq(l%as1dReal(),real([1.0,2.0],pReal)))) error stop 'tList_as1dReal'
|
||||
if (any(dNeq(l%as1dReal(),real([1.0,2.0],pREAL)))) error stop 'tList_as1dReal'
|
||||
s1 = 'true'
|
||||
s2 = 'false'
|
||||
if (any(l%as1dBool() .neqv. [.true.,.false.])) error stop 'tList_as1dBool'
|
||||
|
@ -253,7 +253,7 @@ subroutine selfTest()
|
|||
if (d%asFormattedStr() /= '{one-two: [1, 2], three: 3, four: 4}') &
|
||||
error stop 'tDict_asFormattedStr'
|
||||
if (d%get_asInt('three') /= 3) error stop 'tDict_get_asInt'
|
||||
if (dNeq(d%get_asReal('three'),3.0_pReal)) error stop 'tDict_get_asReal'
|
||||
if (dNeq(d%get_asReal('three'),3.0_pREAL)) error stop 'tDict_get_asReal'
|
||||
if (d%get_asStr('three') /= '3') error stop 'tDict_get_asStr'
|
||||
if (any(d%get_as1dInt('one-two') /= [1,2])) error stop 'tDict_get_as1dInt'
|
||||
call d%set('one-two',s4)
|
||||
|
@ -376,7 +376,7 @@ end function tNode_asDict
|
|||
function tScalar_asReal(self)
|
||||
|
||||
class(tScalar), intent(in), target :: self
|
||||
real(pReal) :: tScalar_asReal
|
||||
real(pREAL) :: tScalar_asReal
|
||||
|
||||
|
||||
tScalar_asReal = IO_strAsReal(self%value)
|
||||
|
@ -481,7 +481,7 @@ end subroutine tList_append
|
|||
function tList_as1dReal(self)
|
||||
|
||||
class(tList), intent(in), target :: self
|
||||
real(pReal), dimension(:), allocatable :: tList_as1dReal
|
||||
real(pREAL), dimension(:), allocatable :: tList_as1dReal
|
||||
|
||||
integer :: i
|
||||
type(tItem), pointer :: item
|
||||
|
@ -505,7 +505,7 @@ end function tList_as1dReal
|
|||
function tList_as2dReal(self)
|
||||
|
||||
class(tList), intent(in), target :: self
|
||||
real(pReal), dimension(:,:), allocatable :: tList_as2dReal
|
||||
real(pREAL), dimension(:,:), allocatable :: tList_as2dReal
|
||||
|
||||
integer :: i
|
||||
type(tList), pointer :: row_data
|
||||
|
@ -724,7 +724,7 @@ function tList_get_asReal(self,i) result(nodeAsReal)
|
|||
|
||||
class(tList), intent(in) :: self
|
||||
integer, intent(in) :: i
|
||||
real(pReal) :: nodeAsReal
|
||||
real(pREAL) :: nodeAsReal
|
||||
|
||||
class(tScalar), pointer :: scalar
|
||||
|
||||
|
@ -742,7 +742,7 @@ function tList_get_as1dReal(self,i) result(nodeAs1dReal)
|
|||
|
||||
class(tList), intent(in) :: self
|
||||
integer, intent(in) :: i
|
||||
real(pReal), dimension(:), allocatable :: nodeAs1dReal
|
||||
real(pREAL), dimension(:), allocatable :: nodeAs1dReal
|
||||
|
||||
class(tList), pointer :: list
|
||||
|
||||
|
@ -1124,8 +1124,8 @@ function tDict_get_asReal(self,k,defaultVal) result(nodeAsReal)
|
|||
|
||||
class(tDict), intent(in) :: self
|
||||
character(len=*), intent(in) :: k
|
||||
real(pReal), intent(in), optional :: defaultVal
|
||||
real(pReal) :: nodeAsReal
|
||||
real(pREAL), intent(in), optional :: defaultVal
|
||||
real(pREAL) :: nodeAsReal
|
||||
|
||||
type(tScalar), pointer :: scalar
|
||||
|
||||
|
@ -1149,9 +1149,9 @@ function tDict_get_as1dReal(self,k,defaultVal,requiredSize) result(nodeAs1dReal)
|
|||
|
||||
class(tDict), intent(in) :: self
|
||||
character(len=*), intent(in) :: k
|
||||
real(pReal), intent(in), dimension(:), optional :: defaultVal
|
||||
real(pREAL), intent(in), dimension(:), optional :: defaultVal
|
||||
integer, intent(in), optional :: requiredSize
|
||||
real(pReal), dimension(:), allocatable :: nodeAs1dReal
|
||||
real(pREAL), dimension(:), allocatable :: nodeAs1dReal
|
||||
|
||||
type(tList), pointer :: list
|
||||
|
||||
|
@ -1179,9 +1179,9 @@ function tDict_get_as2dReal(self,k,defaultVal,requiredShape) result(nodeAs2dReal
|
|||
|
||||
class(tDict), intent(in) :: self
|
||||
character(len=*), intent(in) :: k
|
||||
real(pReal), intent(in), dimension(:,:), optional :: defaultVal
|
||||
real(pREAL), intent(in), dimension(:,:), optional :: defaultVal
|
||||
integer, intent(in), dimension(2), optional :: requiredShape
|
||||
real(pReal), dimension(:,:), allocatable :: nodeAs2dReal
|
||||
real(pREAL), dimension(:,:), allocatable :: nodeAs2dReal
|
||||
|
||||
type(tList), pointer :: list
|
||||
|
||||
|
|
|
@ -8,9 +8,9 @@ module constants
|
|||
implicit none(type,external)
|
||||
public
|
||||
|
||||
real(pReal), parameter :: &
|
||||
T_ROOM = 293.15_pReal, & !< Room temperature (20°C) in K (https://en.wikipedia.org/wiki/ISO_1)
|
||||
K_B = 1.380649e-23_pReal, & !< Boltzmann constant in J/Kelvin (https://doi.org/10.1351/goldbook)
|
||||
N_A = 6.02214076e23_pReal !< Avogadro constant in 1/mol (https://doi.org/10.1351/goldbook)
|
||||
real(pREAL), parameter :: &
|
||||
T_ROOM = 293.15_pREAL, & !< Room temperature (20°C) in K (https://en.wikipedia.org/wiki/ISO_1)
|
||||
K_B = 1.380649e-23_pREAL, & !< Boltzmann constant in J/Kelvin (https://doi.org/10.1351/goldbook)
|
||||
N_A = 6.02214076e23_pREAL !< Avogadro constant in 1/mol (https://doi.org/10.1351/goldbook)
|
||||
|
||||
end module constants
|
||||
|
|
|
@ -18,7 +18,7 @@ module discretization
|
|||
integer, public, protected, dimension(:), allocatable :: &
|
||||
discretization_materialAt !ToDo: discretization_ID_material
|
||||
|
||||
real(pReal), public, protected, dimension(:,:), allocatable :: &
|
||||
real(pREAL), public, protected, dimension(:,:), allocatable :: &
|
||||
discretization_IPcoords0, &
|
||||
discretization_IPcoords, &
|
||||
discretization_NodeCoords0, &
|
||||
|
@ -44,7 +44,7 @@ subroutine discretization_init(materialAt,&
|
|||
|
||||
integer, dimension(:), intent(in) :: &
|
||||
materialAt
|
||||
real(pReal), dimension(:,:), intent(in) :: &
|
||||
real(pREAL), dimension(:,:), intent(in) :: &
|
||||
IPcoords0, &
|
||||
NodeCoords0
|
||||
integer, optional, intent(in) :: &
|
||||
|
@ -78,7 +78,7 @@ end subroutine discretization_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine discretization_result()
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: u
|
||||
real(pREAL), dimension(:,:), allocatable :: u
|
||||
|
||||
call result_closeGroup(result_addGroup('current/geometry'))
|
||||
|
||||
|
@ -98,7 +98,7 @@ end subroutine discretization_result
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine discretization_setIPcoords(IPcoords)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: IPcoords
|
||||
real(pREAL), dimension(:,:), intent(in) :: IPcoords
|
||||
|
||||
discretization_IPcoords = IPcoords
|
||||
|
||||
|
@ -110,7 +110,7 @@ end subroutine discretization_setIPcoords
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine discretization_setNodeCoords(NodeCoords)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: NodeCoords
|
||||
real(pREAL), dimension(:,:), intent(in) :: NodeCoords
|
||||
|
||||
discretization_NodeCoords = NodeCoords
|
||||
|
||||
|
|
|
@ -18,13 +18,13 @@ module geometry_plastic_nonlocal
|
|||
integer, dimension(:,:,:,:), allocatable, protected :: &
|
||||
geometry_plastic_nonlocal_IPneighborhood !< 6 or less neighboring IPs as [element ID, IP ID, face ID that point to me]
|
||||
|
||||
real(pReal), dimension(:,:), allocatable, protected :: &
|
||||
real(pREAL), dimension(:,:), allocatable, protected :: &
|
||||
geometry_plastic_nonlocal_IPvolume0 !< volume associated with IP (initially!)
|
||||
|
||||
real(pReal), dimension(:,:,:), allocatable, protected :: &
|
||||
real(pREAL), dimension(:,:,:), allocatable, protected :: &
|
||||
geometry_plastic_nonlocal_IParea0 !< area of interface to neighboring IP (initially!)
|
||||
|
||||
real(pReal), dimension(:,:,:,:), allocatable, protected :: &
|
||||
real(pREAL), dimension(:,:,:,:), allocatable, protected :: &
|
||||
geometry_plastic_nonlocal_IPareaNormal0 !< area normal of interface to neighboring IP (initially!)
|
||||
|
||||
|
||||
|
@ -54,7 +54,7 @@ end subroutine geometry_plastic_nonlocal_setIPneighborhood
|
|||
!---------------------------------------------------------------------------------------------------
|
||||
subroutine geometry_plastic_nonlocal_setIPvolume(IPvolume)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: IPvolume
|
||||
real(pREAL), dimension(:,:), intent(in) :: IPvolume
|
||||
|
||||
geometry_plastic_nonlocal_IPvolume0 = IPvolume
|
||||
|
||||
|
@ -67,7 +67,7 @@ end subroutine geometry_plastic_nonlocal_setIPvolume
|
|||
!---------------------------------------------------------------------------------------------------
|
||||
subroutine geometry_plastic_nonlocal_setIParea(IParea)
|
||||
|
||||
real(pReal), dimension(:,:,:), intent(in) :: IParea
|
||||
real(pREAL), dimension(:,:,:), intent(in) :: IParea
|
||||
|
||||
geometry_plastic_nonlocal_IParea0 = IParea
|
||||
|
||||
|
@ -80,7 +80,7 @@ end subroutine geometry_plastic_nonlocal_setIParea
|
|||
!---------------------------------------------------------------------------------------------------
|
||||
subroutine geometry_plastic_nonlocal_setIPareaNormal(IPareaNormal)
|
||||
|
||||
real(pReal), dimension(:,:,:,:), intent(in) :: IPareaNormal
|
||||
real(pREAL), dimension(:,:,:,:), intent(in) :: IPareaNormal
|
||||
|
||||
geometry_plastic_nonlocal_IPareaNormal0 = IPareaNormal
|
||||
|
||||
|
@ -117,7 +117,7 @@ subroutine geometry_plastic_nonlocal_result()
|
|||
call result_openJobFile()
|
||||
|
||||
writeVolume: block
|
||||
real(pReal), dimension(:), allocatable :: temp
|
||||
real(pREAL), dimension(:), allocatable :: temp
|
||||
shp = shape(geometry_plastic_nonlocal_IPvolume0)
|
||||
temp = reshape(geometry_plastic_nonlocal_IPvolume0,[shp(1)*shp(2)])
|
||||
call result_writeDataset(temp,'geometry','v_0',&
|
||||
|
@ -125,7 +125,7 @@ subroutine geometry_plastic_nonlocal_result()
|
|||
end block writeVolume
|
||||
|
||||
writeAreas: block
|
||||
real(pReal), dimension(:,:), allocatable :: temp
|
||||
real(pREAL), dimension(:,:), allocatable :: temp
|
||||
shp = shape(geometry_plastic_nonlocal_IParea0)
|
||||
temp = reshape(geometry_plastic_nonlocal_IParea0,[shp(1),shp(2)*shp(3)])
|
||||
call result_writeDataset(temp,'geometry','a_0',&
|
||||
|
@ -133,7 +133,7 @@ subroutine geometry_plastic_nonlocal_result()
|
|||
end block writeAreas
|
||||
|
||||
writeNormals: block
|
||||
real(pReal), dimension(:,:,:), allocatable :: temp
|
||||
real(pREAL), dimension(:,:,:), allocatable :: temp
|
||||
shp = shape(geometry_plastic_nonlocal_IPareaNormal0)
|
||||
temp = reshape(geometry_plastic_nonlocal_IPareaNormal0,[shp(1),shp(2),shp(3)*shp(4)])
|
||||
call result_writeDataset(temp,'geometry','n_0',&
|
||||
|
|
|
@ -40,7 +40,7 @@ program DAMASK_grid
|
|||
type(tRotation) :: rot !< rotation of BC
|
||||
type(tBoundaryCondition) :: stress, & !< stress BC
|
||||
deformation !< deformation BC (dot_F, F, or L)
|
||||
real(pReal) :: t, & !< length of increment
|
||||
real(pREAL) :: t, & !< length of increment
|
||||
r !< ratio of geometric progression
|
||||
integer :: N, & !< number of increments
|
||||
f_out, & !< frequency of result writes
|
||||
|
@ -63,12 +63,12 @@ program DAMASK_grid
|
|||
! loop variables, convergence etc.
|
||||
integer, parameter :: &
|
||||
subStepFactor = 2 !< for each substep, divide the last time increment by 2.0
|
||||
real(pReal) :: &
|
||||
t = 0.0_pReal, & !< elapsed time
|
||||
t_0 = 0.0_pReal, & !< begin of interval
|
||||
Delta_t = 1.0_pReal, & !< current time interval
|
||||
Delta_t_prev = 0.0_pReal, & !< previous time interval
|
||||
t_remaining = 0.0_pReal !< remaining time of current load case
|
||||
real(pREAL) :: &
|
||||
t = 0.0_pREAL, & !< elapsed time
|
||||
t_0 = 0.0_pREAL, & !< begin of interval
|
||||
Delta_t = 1.0_pREAL, & !< current time interval
|
||||
Delta_t_prev = 0.0_pREAL, & !< previous time interval
|
||||
t_remaining = 0.0_pREAL !< remaining time of current load case
|
||||
logical :: &
|
||||
guess, & !< guess along former trajectory
|
||||
stagIterate, &
|
||||
|
@ -234,14 +234,14 @@ program DAMASK_grid
|
|||
call getMaskedTensor(loadCases(l)%stress%values,loadCases(l)%stress%mask,step_mech%get_list(m))
|
||||
#endif
|
||||
end select
|
||||
call loadCases(l)%rot%fromAxisAngle(step_mech%get_as1dReal('R',defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.)
|
||||
call loadCases(l)%rot%fromAxisAngle(step_mech%get_as1dReal('R',defaultVal = real([0.0,0.0,1.0,0.0],pREAL)),degrees=.true.)
|
||||
end do readMech
|
||||
if (.not. allocated(loadCases(l)%deformation%myType)) call IO_error(error_ID=837,ext_msg = 'L/dot_F/F missing')
|
||||
|
||||
step_discretization => load_step%get_dict('discretization')
|
||||
loadCases(l)%t = step_discretization%get_asReal('t')
|
||||
loadCases(l)%N = step_discretization%get_asInt ('N')
|
||||
loadCases(l)%r = step_discretization%get_asReal('r',defaultVal= 1.0_pReal)
|
||||
loadCases(l)%r = step_discretization%get_asReal('r',defaultVal= 1.0_pREAL)
|
||||
|
||||
loadCases(l)%f_restart = load_step%get_asInt('f_restart', defaultVal=huge(0))
|
||||
if (load_step%get_asStr('f_out',defaultVal='n/a') == 'none') then
|
||||
|
@ -279,7 +279,7 @@ program DAMASK_grid
|
|||
if (loadCases(l)%stress%mask(i,j)) then
|
||||
write(IO_STDOUT,'(2x,12a)',advance='no') ' x '
|
||||
else
|
||||
write(IO_STDOUT,'(2x,f12.4)',advance='no') loadCases(l)%stress%values(i,j)*1e-6_pReal
|
||||
write(IO_STDOUT,'(2x,f12.4)',advance='no') loadCases(l)%stress%values(i,j)*1e-6_pREAL
|
||||
end if
|
||||
end do; write(IO_STDOUT,'(/)',advance='no')
|
||||
end do
|
||||
|
@ -288,13 +288,13 @@ program DAMASK_grid
|
|||
write(IO_STDOUT,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'R:',&
|
||||
transpose(loadCases(l)%rot%asMatrix())
|
||||
|
||||
if (loadCases(l)%r <= 0.0_pReal) errorID = 833
|
||||
if (loadCases(l)%t < 0.0_pReal) errorID = 834
|
||||
if (loadCases(l)%r <= 0.0_pREAL) errorID = 833
|
||||
if (loadCases(l)%t < 0.0_pREAL) errorID = 834
|
||||
if (loadCases(l)%N < 1) errorID = 835
|
||||
if (loadCases(l)%f_out < 1) errorID = 836
|
||||
if (loadCases(l)%f_restart < 1) errorID = 839
|
||||
|
||||
if (dEq(loadCases(l)%r,1.0_pReal,1.e-9_pReal)) then
|
||||
if (dEq(loadCases(l)%r,1.0_pREAL,1.e-9_pREAL)) then
|
||||
print'(2x,a)', 'r: 1 (constant step width)'
|
||||
else
|
||||
print'(2x,a,1x,f0.3)', 'r:', loadCases(l)%r
|
||||
|
@ -345,7 +345,7 @@ program DAMASK_grid
|
|||
writeUndeformed: if (CLI_restartInc < 1) then
|
||||
print'(/,1x,a)', '... writing initial configuration to file .................................'
|
||||
flush(IO_STDOUT)
|
||||
call materialpoint_result(0,0.0_pReal)
|
||||
call materialpoint_result(0,0.0_pREAL)
|
||||
end if writeUndeformed
|
||||
|
||||
loadCaseLooping: do l = 1, size(loadCases)
|
||||
|
@ -358,13 +358,13 @@ program DAMASK_grid
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! forwarding time
|
||||
Delta_t_prev = Delta_t ! last time intervall that brought former inc to an end
|
||||
if (dEq(loadCases(l)%r,1.0_pReal,1.e-9_pReal)) then ! linear scale
|
||||
Delta_t = loadCases(l)%t/real(loadCases(l)%N,pReal)
|
||||
if (dEq(loadCases(l)%r,1.0_pREAL,1.e-9_pREAL)) then ! linear scale
|
||||
Delta_t = loadCases(l)%t/real(loadCases(l)%N,pREAL)
|
||||
else
|
||||
Delta_t = loadCases(l)%t * (loadCases(l)%r**(inc-1)-loadCases(l)%r**inc) &
|
||||
/ (1.0_pReal-loadCases(l)%r**loadCases(l)%N)
|
||||
/ (1.0_pREAL-loadCases(l)%r**loadCases(l)%N)
|
||||
end if
|
||||
Delta_t = Delta_t * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||
Delta_t = Delta_t * real(subStepFactor,pREAL)**real(-cutBackLevel,pREAL) ! depending on cut back level, decrease time step
|
||||
|
||||
skipping: if (totalIncsCounter <= CLI_restartInc) then ! not yet at restart inc?
|
||||
t = t + Delta_t ! just advance time, skip already performed calculation
|
||||
|
@ -450,7 +450,7 @@ program DAMASK_grid
|
|||
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
|
||||
cutBackLevel = cutBackLevel + 1
|
||||
t = t - Delta_t
|
||||
Delta_t = Delta_t/real(subStepFactor,pReal) ! cut timestep
|
||||
Delta_t = Delta_t/real(subStepFactor,pREAL) ! cut timestep
|
||||
print'(/,1x,a)', 'cutting back '
|
||||
else ! no more options to continue
|
||||
if (worldrank == 0) close(statUnit)
|
||||
|
@ -513,7 +513,7 @@ contains
|
|||
|
||||
subroutine getMaskedTensor(values,mask,tensor)
|
||||
|
||||
real(pReal), intent(out), dimension(3,3) :: values
|
||||
real(pREAL), intent(out), dimension(3,3) :: values
|
||||
logical, intent(out), dimension(3,3) :: mask
|
||||
type(tList), pointer :: tensor
|
||||
|
||||
|
@ -521,7 +521,7 @@ subroutine getMaskedTensor(values,mask,tensor)
|
|||
integer :: i,j
|
||||
|
||||
|
||||
values = 0.0_pReal
|
||||
values = 0.0_pREAL
|
||||
do i = 1,3
|
||||
row => tensor%get_list(i)
|
||||
do j = 1,3
|
||||
|
|
|
@ -50,7 +50,7 @@ function VTI_readDataset_real(fileContent,label) result(dataset)
|
|||
character(len=*), intent(in) :: &
|
||||
label, &
|
||||
fileContent
|
||||
real(pReal), dimension(:), allocatable :: &
|
||||
real(pREAL), dimension(:), allocatable :: &
|
||||
dataset
|
||||
|
||||
character(len=:), allocatable :: dataType, headerType, base64Str
|
||||
|
@ -143,7 +143,7 @@ subroutine VTI_readCellsSizeOrigin(cells,geomSize,origin, &
|
|||
|
||||
integer, dimension(3), intent(out) :: &
|
||||
cells ! # of cells (across all processes!)
|
||||
real(pReal), dimension(3), intent(out) :: &
|
||||
real(pREAL), dimension(3), intent(out) :: &
|
||||
geomSize, & ! size (across all processes!)
|
||||
origin ! origin (across all processes!)
|
||||
character(len=*), intent(in) :: &
|
||||
|
@ -156,7 +156,7 @@ subroutine VTI_readCellsSizeOrigin(cells,geomSize,origin, &
|
|||
|
||||
|
||||
cells = -1
|
||||
geomSize = -1.0_pReal
|
||||
geomSize = -1.0_pREAL
|
||||
|
||||
inFile = .false.
|
||||
inImage = .false.
|
||||
|
@ -198,11 +198,11 @@ end subroutine VTI_readCellsSizeOrigin
|
|||
subroutine cellsSizeOrigin(c,s,o,header)
|
||||
|
||||
integer, dimension(3), intent(out) :: c
|
||||
real(pReal), dimension(3), intent(out) :: s,o
|
||||
real(pREAL), dimension(3), intent(out) :: s,o
|
||||
character(len=*), intent(in) :: header
|
||||
|
||||
character(len=:), allocatable :: temp
|
||||
real(pReal), dimension(3) :: delta
|
||||
real(pREAL), dimension(3) :: delta
|
||||
integer :: i
|
||||
|
||||
|
||||
|
@ -217,7 +217,7 @@ subroutine cellsSizeOrigin(c,s,o,header)
|
|||
|
||||
temp = getXMLValue(header,'Spacing')
|
||||
delta = [(IO_realValue(temp,IO_strPos(temp),i),i=1,3)]
|
||||
s = delta * real(c,pReal)
|
||||
s = delta * real(c,pREAL)
|
||||
|
||||
temp = getXMLValue(header,'Origin')
|
||||
o = [(IO_realValue(temp,IO_strPos(temp),i),i=1,3)]
|
||||
|
@ -255,7 +255,7 @@ end function as_Int
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Interpret Base64 string in vtk XML file as real of kind pReal.
|
||||
!> @brief Interpret Base64 string in vtk XML file as real of kind pREAL.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function as_real(base64Str,headerType,compressed,dataType)
|
||||
|
||||
|
@ -264,18 +264,18 @@ function as_real(base64Str,headerType,compressed,dataType)
|
|||
dataType ! data type (Int32, Int64, Float32, Float64)
|
||||
logical, intent(in) :: compressed ! indicate whether data is zlib compressed
|
||||
|
||||
real(pReal), dimension(:), allocatable :: as_real
|
||||
real(pREAL), dimension(:), allocatable :: as_real
|
||||
|
||||
|
||||
select case(dataType)
|
||||
case('Int32')
|
||||
as_real = real(prec_bytesToC_INT32_T(asBytes(base64Str,headerType,compressed)),pReal)
|
||||
as_real = real(prec_bytesToC_INT32_T(asBytes(base64Str,headerType,compressed)),pREAL)
|
||||
case('Int64')
|
||||
as_real = real(prec_bytesToC_INT64_T(asBytes(base64Str,headerType,compressed)),pReal)
|
||||
as_real = real(prec_bytesToC_INT64_T(asBytes(base64Str,headerType,compressed)),pREAL)
|
||||
case('Float32')
|
||||
as_real = real(prec_bytesToC_FLOAT (asBytes(base64Str,headerType,compressed)),pReal)
|
||||
as_real = real(prec_bytesToC_FLOAT (asBytes(base64Str,headerType,compressed)),pREAL)
|
||||
case('Float64')
|
||||
as_real = real(prec_bytesToC_DOUBLE (asBytes(base64Str,headerType,compressed)),pReal)
|
||||
as_real = real(prec_bytesToC_DOUBLE (asBytes(base64Str,headerType,compressed)),pREAL)
|
||||
case default
|
||||
call IO_error(844,ext_msg='unknown data type: '//trim(dataType))
|
||||
end select
|
||||
|
|
|
@ -35,9 +35,9 @@ module discretization_grid
|
|||
integer, public, protected :: &
|
||||
cells3, & !< (local) cells in 3rd direction
|
||||
cells3Offset !< (local) cells offset in 3rd direction
|
||||
real(pReal), dimension(3), public, protected :: &
|
||||
real(pREAL), dimension(3), public, protected :: &
|
||||
geomSize !< (global) physical size
|
||||
real(pReal), public, protected :: &
|
||||
real(pREAL), public, protected :: &
|
||||
size3, & !< (local) size in 3rd direction
|
||||
size3offset !< (local) size offset in 3rd direction
|
||||
|
||||
|
@ -55,7 +55,7 @@ subroutine discretization_grid_init(restart)
|
|||
|
||||
logical, intent(in) :: restart
|
||||
|
||||
real(pReal), dimension(3) :: &
|
||||
real(pREAL), dimension(3) :: &
|
||||
mySize, & !< domain size of this process
|
||||
origin !< (global) distance to origin
|
||||
integer, dimension(3) :: &
|
||||
|
@ -119,8 +119,8 @@ subroutine discretization_grid_init(restart)
|
|||
|
||||
cells3 = int(z)
|
||||
cells3Offset = int(z_offset)
|
||||
size3 = geomSize(3)*real(cells3,pReal) /real(cells(3),pReal)
|
||||
size3Offset = geomSize(3)*real(cells3Offset,pReal)/real(cells(3),pReal)
|
||||
size3 = geomSize(3)*real(cells3,pREAL) /real(cells(3),pREAL)
|
||||
size3Offset = geomSize(3)*real(cells3Offset,pREAL)/real(cells(3),pREAL)
|
||||
myGrid = [cells(1:2),cells3]
|
||||
mySize = [geomSize(1:2),size3]
|
||||
|
||||
|
@ -156,7 +156,7 @@ subroutine discretization_grid_init(restart)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! geometry information required by the nonlocal CP model
|
||||
call geometry_plastic_nonlocal_setIPvolume(reshape([(product(mySize/real(myGrid,pReal)),j=1,product(myGrid))], &
|
||||
call geometry_plastic_nonlocal_setIPvolume(reshape([(product(mySize/real(myGrid,pREAL)),j=1,product(myGrid))], &
|
||||
[1,product(myGrid)]))
|
||||
call geometry_plastic_nonlocal_setIParea (cellSurfaceArea(mySize,myGrid))
|
||||
call geometry_plastic_nonlocal_setIPareaNormal (cellSurfaceNormal(product(myGrid)))
|
||||
|
@ -171,10 +171,10 @@ end subroutine discretization_grid_init
|
|||
function IPcoordinates0(cells,geomSize,cells3Offset)
|
||||
|
||||
integer, dimension(3), intent(in) :: cells ! cells (for this process!)
|
||||
real(pReal), dimension(3), intent(in) :: geomSize ! size (for this process!)
|
||||
real(pREAL), dimension(3), intent(in) :: geomSize ! size (for this process!)
|
||||
integer, intent(in) :: cells3Offset ! cells(3) offset
|
||||
|
||||
real(pReal), dimension(3,product(cells)) :: ipCoordinates0
|
||||
real(pREAL), dimension(3,product(cells)) :: ipCoordinates0
|
||||
|
||||
integer :: &
|
||||
a,b,c, &
|
||||
|
@ -184,7 +184,7 @@ function IPcoordinates0(cells,geomSize,cells3Offset)
|
|||
i = 0
|
||||
do c = 1, cells(3); do b = 1, cells(2); do a = 1, cells(1)
|
||||
i = i + 1
|
||||
IPcoordinates0(1:3,i) = geomSize/real(cells,pReal) * (real([a,b,cells3Offset+c],pReal) -0.5_pReal)
|
||||
IPcoordinates0(1:3,i) = geomSize/real(cells,pREAL) * (real([a,b,cells3Offset+c],pREAL) -0.5_pREAL)
|
||||
end do; end do; end do
|
||||
|
||||
end function IPcoordinates0
|
||||
|
@ -196,10 +196,10 @@ end function IPcoordinates0
|
|||
pure function nodes0(cells,geomSize,cells3Offset)
|
||||
|
||||
integer, dimension(3), intent(in) :: cells ! cells (for this process!)
|
||||
real(pReal), dimension(3), intent(in) :: geomSize ! size (for this process!)
|
||||
real(pREAL), dimension(3), intent(in) :: geomSize ! size (for this process!)
|
||||
integer, intent(in) :: cells3Offset ! cells(3) offset
|
||||
|
||||
real(pReal), dimension(3,product(cells+1)) :: nodes0
|
||||
real(pREAL), dimension(3,product(cells+1)) :: nodes0
|
||||
|
||||
integer :: &
|
||||
a,b,c, &
|
||||
|
@ -208,7 +208,7 @@ pure function nodes0(cells,geomSize,cells3Offset)
|
|||
n = 0
|
||||
do c = 0, cells3; do b = 0, cells(2); do a = 0, cells(1)
|
||||
n = n + 1
|
||||
nodes0(1:3,n) = geomSize/real(cells,pReal) * real([a,b,cells3Offset+c],pReal)
|
||||
nodes0(1:3,n) = geomSize/real(cells,pREAL) * real([a,b,cells3Offset+c],pREAL)
|
||||
end do; end do; end do
|
||||
|
||||
end function nodes0
|
||||
|
@ -219,15 +219,15 @@ end function nodes0
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function cellSurfaceArea(geomSize,cells)
|
||||
|
||||
real(pReal), dimension(3), intent(in) :: geomSize ! size (for this process!)
|
||||
real(pREAL), dimension(3), intent(in) :: geomSize ! size (for this process!)
|
||||
integer, dimension(3), intent(in) :: cells ! cells (for this process!)
|
||||
|
||||
real(pReal), dimension(6,1,product(cells)) :: cellSurfaceArea
|
||||
real(pREAL), dimension(6,1,product(cells)) :: cellSurfaceArea
|
||||
|
||||
|
||||
cellSurfaceArea(1:2,1,:) = geomSize(2)/real(cells(2),pReal) * geomSize(3)/real(cells(3),pReal)
|
||||
cellSurfaceArea(3:4,1,:) = geomSize(3)/real(cells(3),pReal) * geomSize(1)/real(cells(1),pReal)
|
||||
cellSurfaceArea(5:6,1,:) = geomSize(1)/real(cells(1),pReal) * geomSize(2)/real(cells(2),pReal)
|
||||
cellSurfaceArea(1:2,1,:) = geomSize(2)/real(cells(2),pREAL) * geomSize(3)/real(cells(3),pREAL)
|
||||
cellSurfaceArea(3:4,1,:) = geomSize(3)/real(cells(3),pREAL) * geomSize(1)/real(cells(1),pREAL)
|
||||
cellSurfaceArea(5:6,1,:) = geomSize(1)/real(cells(1),pREAL) * geomSize(2)/real(cells(2),pREAL)
|
||||
|
||||
end function cellSurfaceArea
|
||||
|
||||
|
@ -239,14 +239,14 @@ pure function cellSurfaceNormal(nElems)
|
|||
|
||||
integer, intent(in) :: nElems
|
||||
|
||||
real(pReal), dimension(3,6,1,nElems) :: cellSurfaceNormal
|
||||
real(pREAL), dimension(3,6,1,nElems) :: cellSurfaceNormal
|
||||
|
||||
cellSurfaceNormal(1:3,1,1,:) = spread([+1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,2,1,:) = spread([-1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,3,1,:) = spread([ 0.0_pReal,+1.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,4,1,:) = spread([ 0.0_pReal,-1.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,5,1,:) = spread([ 0.0_pReal, 0.0_pReal,+1.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,6,1,:) = spread([ 0.0_pReal, 0.0_pReal,-1.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,1,1,:) = spread([+1.0_pREAL, 0.0_pREAL, 0.0_pREAL],2,nElems)
|
||||
cellSurfaceNormal(1:3,2,1,:) = spread([-1.0_pREAL, 0.0_pREAL, 0.0_pREAL],2,nElems)
|
||||
cellSurfaceNormal(1:3,3,1,:) = spread([ 0.0_pREAL,+1.0_pREAL, 0.0_pREAL],2,nElems)
|
||||
cellSurfaceNormal(1:3,4,1,:) = spread([ 0.0_pREAL,-1.0_pREAL, 0.0_pREAL],2,nElems)
|
||||
cellSurfaceNormal(1:3,5,1,:) = spread([ 0.0_pREAL, 0.0_pREAL,+1.0_pREAL],2,nElems)
|
||||
cellSurfaceNormal(1:3,6,1,:) = spread([ 0.0_pREAL, 0.0_pREAL,-1.0_pREAL],2,nElems)
|
||||
|
||||
end function cellSurfaceNormal
|
||||
|
||||
|
@ -314,9 +314,9 @@ end function IPneighborhood
|
|||
function discretization_grid_getInitialCondition(label) result(ic)
|
||||
|
||||
character(len=*), intent(in) :: label
|
||||
real(pReal), dimension(cells(1),cells(2),cells3) :: ic
|
||||
real(pREAL), dimension(cells(1),cells(2),cells3) :: ic
|
||||
|
||||
real(pReal), dimension(:), allocatable :: ic_global, ic_local
|
||||
real(pREAL), dimension(:), allocatable :: ic_global, ic_local
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
|
||||
integer, dimension(worldsize) :: &
|
||||
|
|
|
@ -35,7 +35,7 @@ module grid_damage_spectral
|
|||
type :: tNumerics
|
||||
integer :: &
|
||||
itmax !< maximum number of iterations
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
phi_min, & !< non-zero residual damage
|
||||
eps_damage_atol, & !< absolute tolerance for damage evolution
|
||||
eps_damage_rtol !< relative tolerance for damage evolution
|
||||
|
@ -48,7 +48,7 @@ module grid_damage_spectral
|
|||
! PETSc data
|
||||
SNES :: SNES_damage
|
||||
Vec :: solution_vec
|
||||
real(pReal), dimension(:,:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:,:), allocatable :: &
|
||||
phi, & !< field of current damage
|
||||
phi_lastInc, & !< field of previous damage
|
||||
phi_stagInc !< field of staggered damage
|
||||
|
@ -56,8 +56,8 @@ module grid_damage_spectral
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! reference diffusion tensor, mobility etc.
|
||||
integer :: totalIter = 0 !< total iteration in current increment
|
||||
real(pReal), dimension(3,3) :: K_ref
|
||||
real(pReal) :: mu_ref
|
||||
real(pREAL), dimension(3,3) :: K_ref
|
||||
real(pREAL) :: mu_ref
|
||||
|
||||
public :: &
|
||||
grid_damage_spectral_init, &
|
||||
|
@ -75,12 +75,12 @@ subroutine grid_damage_spectral_init()
|
|||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer :: i, j, k, ce
|
||||
DM :: damage_grid
|
||||
real(pReal), dimension(:,:,:), pointer :: phi_PETSc
|
||||
real(pREAL), dimension(:,:,:), pointer :: phi_PETSc
|
||||
Vec :: uBound, lBound
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
PetscErrorCode :: err_PETSc
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
real(pReal), dimension(1,product(cells(1:2))*cells3) :: tempN
|
||||
real(pREAL), dimension(1,product(cells(1:2))*cells3) :: tempN
|
||||
type(tDict), pointer :: &
|
||||
num_grid, &
|
||||
num_generic
|
||||
|
@ -98,16 +98,16 @@ subroutine grid_damage_spectral_init()
|
|||
! read numerical parameters and do sanity checks
|
||||
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
|
||||
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
|
||||
num%eps_damage_atol = num_grid%get_asReal ('eps_damage_atol',defaultVal=1.0e-2_pReal)
|
||||
num%eps_damage_rtol = num_grid%get_asReal ('eps_damage_rtol',defaultVal=1.0e-6_pReal)
|
||||
num%eps_damage_atol = num_grid%get_asReal ('eps_damage_atol',defaultVal=1.0e-2_pREAL)
|
||||
num%eps_damage_rtol = num_grid%get_asReal ('eps_damage_rtol',defaultVal=1.0e-6_pREAL)
|
||||
|
||||
num_generic => config_numerics%get_dict('generic',defaultVal=emptyDict)
|
||||
num%phi_min = num_generic%get_asReal('phi_min', defaultVal=1.0e-6_pReal)
|
||||
num%phi_min = num_generic%get_asReal('phi_min', defaultVal=1.0e-6_pREAL)
|
||||
|
||||
if (num%phi_min < 0.0_pReal) call IO_error(301,ext_msg='phi_min')
|
||||
if (num%phi_min < 0.0_pREAL) call IO_error(301,ext_msg='phi_min')
|
||||
if (num%itmax <= 1) call IO_error(301,ext_msg='itmax')
|
||||
if (num%eps_damage_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_damage_atol')
|
||||
if (num%eps_damage_rtol <= 0.0_pReal) call IO_error(301,ext_msg='eps_damage_rtol')
|
||||
if (num%eps_damage_atol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_damage_atol')
|
||||
if (num%eps_damage_rtol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_damage_rtol')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set default and user defined options for PETSc
|
||||
|
@ -162,9 +162,9 @@ subroutine grid_damage_spectral_init()
|
|||
CHKERRQ(err_PETSc)
|
||||
call DMGetGlobalVector(damage_grid,uBound,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecSet(lBound,0.0_pReal,err_PETSc)
|
||||
call VecSet(lBound,0.0_pREAL,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecSet(uBound,1.0_pReal,err_PETSc)
|
||||
call VecSet(uBound,1.0_pREAL,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call SNESVISetVariableBounds(SNES_damage,lBound,uBound,err_PETSc) ! variable bounds for variational inequalities
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -208,7 +208,7 @@ end subroutine grid_damage_spectral_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function grid_damage_spectral_solution(Delta_t) result(solution)
|
||||
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
Delta_t !< increment in time for current solution
|
||||
integer :: i, j, k, ce
|
||||
type(tSolutionState) :: solution
|
||||
|
@ -275,7 +275,7 @@ subroutine grid_damage_spectral_forward(cutBack)
|
|||
|
||||
integer :: i, j, k, ce
|
||||
DM :: dm_local
|
||||
real(pReal), dimension(:,:,:), pointer :: phi_PETSc
|
||||
real(pREAL), dimension(:,:,:), pointer :: phi_PETSc
|
||||
PetscErrorCode :: err_PETSc
|
||||
|
||||
|
||||
|
@ -341,15 +341,15 @@ subroutine formResidual(residual_subdomain,x_scal,r,dummy,err_PETSc)
|
|||
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
|
||||
residual_subdomain
|
||||
real(pReal), dimension(cells(1),cells(2),cells3), intent(in) :: &
|
||||
real(pREAL), dimension(cells(1),cells(2),cells3), intent(in) :: &
|
||||
x_scal
|
||||
real(pReal), dimension(cells(1),cells(2),cells3), intent(out) :: &
|
||||
real(pREAL), dimension(cells(1),cells(2),cells3), intent(out) :: &
|
||||
r !< residual
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode, intent(out) :: err_PETSc
|
||||
|
||||
integer :: i, j, k, ce
|
||||
real(pReal), dimension(3,cells(1),cells(2),cells3) :: vectorField
|
||||
real(pREAL), dimension(3,cells(1),cells(2),cells3) :: vectorField
|
||||
|
||||
|
||||
phi = x_scal
|
||||
|
@ -384,8 +384,8 @@ subroutine updateReference()
|
|||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
|
||||
|
||||
K_ref = 0.0_pReal
|
||||
mu_ref = 0.0_pReal
|
||||
K_ref = 0.0_pREAL
|
||||
mu_ref = 0.0_pREAL
|
||||
do ce = 1, product(cells(1:2))*cells3
|
||||
K_ref = K_ref + homogenization_K_phi(ce)
|
||||
mu_ref = mu_ref + homogenization_mu_phi(ce)
|
||||
|
|
|
@ -41,7 +41,7 @@ module grid_mechanical_FEM
|
|||
integer :: &
|
||||
itmin, & !< minimum number of iterations
|
||||
itmax !< maximum number of iterations
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
eps_div_atol, & !< absolute tolerance for equilibrium
|
||||
eps_div_rtol, & !< relative tolerance for equilibrium
|
||||
eps_stress_atol, & !< absolute tolerance for fullfillment of stress BC
|
||||
|
@ -58,27 +58,27 @@ module grid_mechanical_FEM
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! common pointwise data
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: F, P_current, F_lastInc
|
||||
real(pReal) :: detJ
|
||||
real(pReal), dimension(3) :: delta
|
||||
real(pReal), dimension(3,8) :: BMat
|
||||
real(pReal), dimension(8,8) :: HGMat
|
||||
real(pREAL), dimension(:,:,:,:,:), allocatable :: F, P_current, F_lastInc
|
||||
real(pREAL) :: detJ
|
||||
real(pREAL), dimension(3) :: delta
|
||||
real(pREAL), dimension(3,8) :: BMat
|
||||
real(pREAL), dimension(8,8) :: HGMat
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), dimension(3,3) :: &
|
||||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
F_aimDot = 0.0_pREAL, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
|
||||
P_aim = 0.0_pReal
|
||||
P_av = 0.0_pREAL, & !< average 1st Piola--Kirchhoff stress
|
||||
P_aim = 0.0_pREAL
|
||||
character(len=:), allocatable :: incInfo !< time and increment information
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
real(pREAL), dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pREAL, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pREAL, & !< previous volume average stiffness
|
||||
S = 0.0_pREAL !< current compliance (filled up with zeros)
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
err_BC !< deviation from stress BC
|
||||
|
||||
integer :: &
|
||||
|
@ -98,19 +98,19 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_mechanical_FEM_init
|
||||
|
||||
real(pReal), parameter :: HGCoeff = 0.0e-2_pReal
|
||||
real(pReal), parameter, dimension(4,8) :: &
|
||||
HGcomp = reshape([ 1.0_pReal, 1.0_pReal, 1.0_pReal,-1.0_pReal, &
|
||||
1.0_pReal,-1.0_pReal,-1.0_pReal, 1.0_pReal, &
|
||||
-1.0_pReal, 1.0_pReal,-1.0_pReal, 1.0_pReal, &
|
||||
-1.0_pReal,-1.0_pReal, 1.0_pReal,-1.0_pReal, &
|
||||
-1.0_pReal,-1.0_pReal, 1.0_pReal, 1.0_pReal, &
|
||||
-1.0_pReal, 1.0_pReal,-1.0_pReal,-1.0_pReal, &
|
||||
1.0_pReal,-1.0_pReal,-1.0_pReal,-1.0_pReal, &
|
||||
1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8])
|
||||
real(pReal), dimension(3,3,3,3) :: devNull
|
||||
real(pReal), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
|
||||
real(pReal), dimension(3,product(cells(1:2))*cells3) :: temp3n
|
||||
real(pREAL), parameter :: HGCoeff = 0.0e-2_pREAL
|
||||
real(pREAL), parameter, dimension(4,8) :: &
|
||||
HGcomp = reshape([ 1.0_pREAL, 1.0_pREAL, 1.0_pREAL,-1.0_pREAL, &
|
||||
1.0_pREAL,-1.0_pREAL,-1.0_pREAL, 1.0_pREAL, &
|
||||
-1.0_pREAL, 1.0_pREAL,-1.0_pREAL, 1.0_pREAL, &
|
||||
-1.0_pREAL,-1.0_pREAL, 1.0_pREAL,-1.0_pREAL, &
|
||||
-1.0_pREAL,-1.0_pREAL, 1.0_pREAL, 1.0_pREAL, &
|
||||
-1.0_pREAL, 1.0_pREAL,-1.0_pREAL,-1.0_pREAL, &
|
||||
1.0_pREAL,-1.0_pREAL,-1.0_pREAL,-1.0_pREAL, &
|
||||
1.0_pREAL, 1.0_pREAL, 1.0_pREAL, 1.0_pREAL], [4,8])
|
||||
real(pREAL), dimension(3,3,3,3) :: devNull
|
||||
real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
|
||||
real(pREAL), dimension(3,product(cells(1:2))*cells3) :: temp3n
|
||||
PetscErrorCode :: err_PETSc
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||
|
@ -129,17 +129,17 @@ subroutine grid_mechanical_FEM_init
|
|||
! read numerical parameters and do sanity checks
|
||||
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
|
||||
|
||||
num%eps_div_atol = num_grid%get_asReal('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||||
num%eps_div_rtol = num_grid%get_asReal('eps_div_rtol', defaultVal=5.0e-4_pReal)
|
||||
num%eps_stress_atol = num_grid%get_asReal('eps_stress_atol',defaultVal=1.0e3_pReal)
|
||||
num%eps_stress_rtol = num_grid%get_asReal('eps_stress_rtol',defaultVal=1.0e-3_pReal)
|
||||
num%eps_div_atol = num_grid%get_asReal('eps_div_atol', defaultVal=1.0e-4_pREAL)
|
||||
num%eps_div_rtol = num_grid%get_asReal('eps_div_rtol', defaultVal=5.0e-4_pREAL)
|
||||
num%eps_stress_atol = num_grid%get_asReal('eps_stress_atol',defaultVal=1.0e3_pREAL)
|
||||
num%eps_stress_rtol = num_grid%get_asReal('eps_stress_rtol',defaultVal=1.0e-3_pREAL)
|
||||
num%itmin = num_grid%get_asInt ('itmin',defaultVal=1)
|
||||
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
|
||||
|
||||
if (num%eps_div_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_div_atol'
|
||||
if (num%eps_div_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_div_rtol'
|
||||
if (num%eps_stress_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_stress_atol'
|
||||
if (num%eps_stress_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_stress_rtol'
|
||||
if (num%eps_div_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_atol'
|
||||
if (num%eps_div_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_rtol'
|
||||
if (num%eps_stress_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_atol'
|
||||
if (num%eps_stress_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_rtol'
|
||||
if (num%itmax <= 1) extmsg = trim(extmsg)//' itmax'
|
||||
if (num%itmin > num%itmax .or. num%itmin < 1) extmsg = trim(extmsg)//' itmin'
|
||||
|
||||
|
@ -157,9 +157,9 @@ subroutine grid_mechanical_FEM_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate global fields
|
||||
allocate(F (3,3,cells(1),cells(2),cells3),source = 0.0_pReal)
|
||||
allocate(P_current (3,3,cells(1),cells(2),cells3),source = 0.0_pReal)
|
||||
allocate(F_lastInc (3,3,cells(1),cells(2),cells3),source = 0.0_pReal)
|
||||
allocate(F (3,3,cells(1),cells(2),cells3),source = 0.0_pREAL)
|
||||
allocate(P_current (3,3,cells(1),cells(2),cells3),source = 0.0_pREAL)
|
||||
allocate(F_lastInc (3,3,cells(1),cells(2),cells3),source = 0.0_pREAL)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
|
@ -184,7 +184,7 @@ subroutine grid_mechanical_FEM_init
|
|||
CHKERRQ(err_PETSc)
|
||||
call DMsetUp(mechanical_grid,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call DMDASetUniformCoordinates(mechanical_grid,0.0_pReal,geomSize(1),0.0_pReal,geomSize(2),0.0_pReal,geomSize(3),err_PETSc)
|
||||
call DMDASetUniformCoordinates(mechanical_grid,0.0_pREAL,geomSize(1),0.0_pREAL,geomSize(2),0.0_pREAL,geomSize(3),err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call DMCreateGlobalVector(mechanical_grid,solution_current,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -207,18 +207,18 @@ subroutine grid_mechanical_FEM_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
call VecSet(solution_current,0.0_pReal,err_PETSc)
|
||||
call VecSet(solution_current,0.0_pREAL,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecSet(solution_lastInc,0.0_pReal,err_PETSc)
|
||||
call VecSet(solution_lastInc,0.0_pREAL,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecSet(solution_rate ,0.0_pReal,err_PETSc)
|
||||
call VecSet(solution_rate ,0.0_pREAL,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call DMDAVecGetArrayF90(mechanical_grid,solution_current,u,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
||||
delta = geomSize/real(cells,pReal) ! grid spacing
|
||||
delta = geomSize/real(cells,pREAL) ! grid spacing
|
||||
detJ = product(delta) ! cell volume
|
||||
|
||||
BMat = reshape(real([-delta(1)**(-1),-delta(2)**(-1),-delta(3)**(-1), &
|
||||
|
@ -228,10 +228,10 @@ subroutine grid_mechanical_FEM_init
|
|||
-delta(1)**(-1),-delta(2)**(-1), delta(3)**(-1), &
|
||||
delta(1)**(-1),-delta(2)**(-1), delta(3)**(-1), &
|
||||
-delta(1)**(-1), delta(2)**(-1), delta(3)**(-1), &
|
||||
delta(1)**(-1), delta(2)**(-1), delta(3)**(-1)],pReal), [3,8])/4.0_pReal ! shape function derivative matrix
|
||||
delta(1)**(-1), delta(2)**(-1), delta(3)**(-1)],pREAL), [3,8])/4.0_pREAL ! shape function derivative matrix
|
||||
|
||||
HGMat = matmul(transpose(HGcomp),HGcomp) &
|
||||
* HGCoeff*(delta(1)*delta(2) + delta(2)*delta(3) + delta(3)*delta(1))/16.0_pReal ! hourglass stabilization matrix
|
||||
* HGCoeff*(delta(1)*delta(2) + delta(2)*delta(3) + delta(3)*delta(1))/16.0_pREAL ! hourglass stabilization matrix
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
|
@ -271,7 +271,7 @@ subroutine grid_mechanical_FEM_init
|
|||
call utilities_updateCoords(F)
|
||||
call utilities_constitutiveResponse(P_current,P_av,C_volAvg,devNull, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
F, & ! target F
|
||||
0.0_pReal) ! time increment
|
||||
0.0_pREAL) ! time increment
|
||||
call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc)
|
||||
|
@ -340,7 +340,7 @@ subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remai
|
|||
logical, intent(in) :: &
|
||||
cutBack, &
|
||||
guess
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
Delta_t_old, &
|
||||
Delta_t, &
|
||||
t_remaining !< remaining time of current load case
|
||||
|
@ -365,29 +365,29 @@ subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remai
|
|||
else
|
||||
C_volAvgLastInc = C_volAvg
|
||||
|
||||
F_aimDot = merge(merge(.0_pReal,(F_aim-F_aim_lastInc)/Delta_t_old,stress_BC%mask),.0_pReal,guess) ! estimate deformation rate for prescribed stress components
|
||||
F_aimDot = merge(merge(.0_pREAL,(F_aim-F_aim_lastInc)/Delta_t_old,stress_BC%mask),.0_pREAL,guess) ! estimate deformation rate for prescribed stress components
|
||||
F_aim_lastInc = F_aim
|
||||
|
||||
!-----------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
if (deformation_BC%myType=='L') then ! calculate F_aimDot from given L and current F
|
||||
F_aimDot = F_aimDot &
|
||||
+ matmul(merge(.0_pReal,deformation_BC%values,deformation_BC%mask),F_aim_lastInc)
|
||||
+ matmul(merge(.0_pREAL,deformation_BC%values,deformation_BC%mask),F_aim_lastInc)
|
||||
elseif (deformation_BC%myType=='dot_F') then ! F_aimDot is prescribed
|
||||
F_aimDot = F_aimDot &
|
||||
+ merge(.0_pReal,deformation_BC%values,deformation_BC%mask)
|
||||
+ merge(.0_pREAL,deformation_BC%values,deformation_BC%mask)
|
||||
elseif (deformation_BC%myType=='F') then ! aim at end of load case is prescribed
|
||||
F_aimDot = F_aimDot &
|
||||
+ merge(.0_pReal,(deformation_BC%values - F_aim_lastInc)/t_remaining,deformation_BC%mask)
|
||||
+ merge(.0_pREAL,(deformation_BC%values - F_aim_lastInc)/t_remaining,deformation_BC%mask)
|
||||
end if
|
||||
|
||||
if (guess) then
|
||||
call VecWAXPY(solution_rate,-1.0_pReal,solution_lastInc,solution_current,err_PETSc)
|
||||
call VecWAXPY(solution_rate,-1.0_pREAL,solution_lastInc,solution_current,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecScale(solution_rate,1.0_pReal/Delta_t_old,err_PETSc)
|
||||
call VecScale(solution_rate,1.0_pREAL/Delta_t_old,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
else
|
||||
call VecSet(solution_rate,0.0_pReal,err_PETSc)
|
||||
call VecSet(solution_rate,0.0_pREAL,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
end if
|
||||
call VecCopy(solution_current,solution_lastInc,err_PETSc)
|
||||
|
@ -402,9 +402,9 @@ subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remai
|
|||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * Delta_t
|
||||
if (stress_BC%myType=='P') P_aim = P_aim &
|
||||
+ merge(.0_pReal,(stress_BC%values - P_aim)/t_remaining,stress_BC%mask)*Delta_t
|
||||
+ merge(.0_pREAL,(stress_BC%values - P_aim)/t_remaining,stress_BC%mask)*Delta_t
|
||||
if (stress_BC%myType=='dot_P') P_aim = P_aim &
|
||||
+ merge(.0_pReal,stress_BC%values,stress_BC%mask)*Delta_t
|
||||
+ merge(.0_pREAL,stress_BC%values,stress_BC%mask)*Delta_t
|
||||
|
||||
call VecAXPY(solution_current,Delta_t,solution_rate,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -493,7 +493,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,e
|
|||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: err_PETSc
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
err_div, &
|
||||
divTol, &
|
||||
BCTol
|
||||
|
@ -502,7 +502,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,e
|
|||
divTol = max(maxval(abs(P_av))*num%eps_div_rtol, num%eps_div_atol)
|
||||
BCTol = max(maxval(abs(P_av))*num%eps_stress_rtol, num%eps_stress_atol)
|
||||
|
||||
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_BC/BCTol] < 1.0_pReal)) &
|
||||
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_BC/BCTol] < 1.0_pREAL)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= num%itmax) then
|
||||
|
@ -534,14 +534,14 @@ subroutine formResidual(da_local,x_local, &
|
|||
PetscObject :: dummy
|
||||
PetscErrorCode :: err_PETSc
|
||||
|
||||
real(pReal), pointer,dimension(:,:,:,:) :: x_scal, r
|
||||
real(pReal), dimension(8,3) :: x_elem, f_elem
|
||||
real(pREAL), pointer,dimension(:,:,:,:) :: x_scal, r
|
||||
real(pREAL), dimension(8,3) :: x_elem, f_elem
|
||||
PetscInt :: i, ii, j, jj, k, kk, ctr, ele
|
||||
PetscInt :: &
|
||||
PETScIter, &
|
||||
nfuncs
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
real(pReal), dimension(3,3,3,3) :: devNull
|
||||
real(pREAL), dimension(3,3,3,3) :: devNull
|
||||
|
||||
call SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -556,7 +556,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax
|
||||
if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
|
||||
if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pREAL)))) &
|
||||
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
|
@ -590,7 +590,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
F_aim = F_aim - math_mul3333xx33(S, P_av - P_aim) ! S = 0.0 for no bc
|
||||
err_BC = maxval(abs(merge(.0_pReal,P_av - P_aim,params%stress_mask)))
|
||||
err_BC = maxval(abs(merge(.0_pREAL,P_av - P_aim,params%stress_mask)))
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
|
@ -599,7 +599,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
call DMDAVecGetArrayF90(da_local,x_local,x_scal,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
ele = 0
|
||||
r = 0.0_pReal
|
||||
r = 0.0_pREAL
|
||||
do k = cells3Offset+1, cells3Offset+cells3; do j = 1, cells(2); do i = 1, cells(1)
|
||||
ctr = 0
|
||||
do kk = -1, 0; do jj = -1, 0; do ii = -1, 0
|
||||
|
@ -610,7 +610,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
f_elem = matmul(transpose(BMat),transpose(P_current(1:3,1:3,i,j,k-cells3Offset)))*detJ + &
|
||||
matmul(HGMat,x_elem)*(homogenization_dPdF(1,1,1,1,ele) + &
|
||||
homogenization_dPdF(2,2,2,2,ele) + &
|
||||
homogenization_dPdF(3,3,3,3,ele))/3.0_pReal
|
||||
homogenization_dPdF(3,3,3,3,ele))/3.0_pREAL
|
||||
ctr = 0
|
||||
do kk = -1, 0; do jj = -1, 0; do ii = -1, 0
|
||||
ctr = ctr + 1
|
||||
|
@ -623,16 +623,16 @@ subroutine formResidual(da_local,x_local, &
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! applying boundary conditions
|
||||
if (cells3Offset == 0) then
|
||||
r(0:2,0, 0, 0) = 0.0_pReal
|
||||
r(0:2,cells(1),0, 0) = 0.0_pReal
|
||||
r(0:2,0, cells(2),0) = 0.0_pReal
|
||||
r(0:2,cells(1),cells(2),0) = 0.0_pReal
|
||||
r(0:2,0, 0, 0) = 0.0_pREAL
|
||||
r(0:2,cells(1),0, 0) = 0.0_pREAL
|
||||
r(0:2,0, cells(2),0) = 0.0_pREAL
|
||||
r(0:2,cells(1),cells(2),0) = 0.0_pREAL
|
||||
end if
|
||||
if (cells3+cells3Offset == cells(3)) then
|
||||
r(0:2,0, 0, cells(3)) = 0.0_pReal
|
||||
r(0:2,cells(1),0, cells(3)) = 0.0_pReal
|
||||
r(0:2,0, cells(2),cells(3)) = 0.0_pReal
|
||||
r(0:2,cells(1),cells(2),cells(3)) = 0.0_pReal
|
||||
r(0:2,0, 0, cells(3)) = 0.0_pREAL
|
||||
r(0:2,cells(1),0, cells(3)) = 0.0_pREAL
|
||||
r(0:2,0, cells(2),cells(3)) = 0.0_pREAL
|
||||
r(0:2,cells(1),cells(2),cells(3)) = 0.0_pREAL
|
||||
end if
|
||||
call DMDAVecRestoreArrayF90(da_local,f_local,r,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -652,17 +652,17 @@ subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,err_PETSc)
|
|||
PetscErrorCode :: err_PETSc
|
||||
|
||||
MatStencil,dimension(4,24) :: row, col
|
||||
real(pReal),pointer,dimension(:,:,:,:) :: x_scal
|
||||
real(pReal),dimension(24,24) :: K_ele
|
||||
real(pReal),dimension(9,24) :: BMatFull
|
||||
real(pREAL),pointer,dimension(:,:,:,:) :: x_scal
|
||||
real(pREAL),dimension(24,24) :: K_ele
|
||||
real(pREAL),dimension(9,24) :: BMatFull
|
||||
PetscInt :: i, ii, j, jj, k, kk, ctr, ce
|
||||
PetscInt,dimension(3),parameter :: rows = [0, 1, 2]
|
||||
real(pReal) :: diag
|
||||
real(pREAL) :: diag
|
||||
MatNullSpace :: matnull
|
||||
Vec :: coordinates
|
||||
|
||||
|
||||
BMatFull = 0.0_pReal
|
||||
BMatFull = 0.0_pREAL
|
||||
BMatFull(1:3,1 :8 ) = BMat
|
||||
BMatFull(4:6,9 :16) = BMat
|
||||
BMatFull(7:9,17:24) = BMat
|
||||
|
@ -692,16 +692,16 @@ subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,err_PETSc)
|
|||
end do; end do; end do
|
||||
row = col
|
||||
ce = ce + 1
|
||||
K_ele = 0.0_pReal
|
||||
K_ele = 0.0_pREAL
|
||||
K_ele(1 :8 ,1 :8 ) = HGMat*(homogenization_dPdF(1,1,1,1,ce) + &
|
||||
homogenization_dPdF(2,2,2,2,ce) + &
|
||||
homogenization_dPdF(3,3,3,3,ce))/3.0_pReal
|
||||
homogenization_dPdF(3,3,3,3,ce))/3.0_pREAL
|
||||
K_ele(9 :16,9 :16) = HGMat*(homogenization_dPdF(1,1,1,1,ce) + &
|
||||
homogenization_dPdF(2,2,2,2,ce) + &
|
||||
homogenization_dPdF(3,3,3,3,ce))/3.0_pReal
|
||||
homogenization_dPdF(3,3,3,3,ce))/3.0_pREAL
|
||||
K_ele(17:24,17:24) = HGMat*(homogenization_dPdF(1,1,1,1,ce) + &
|
||||
homogenization_dPdF(2,2,2,2,ce) + &
|
||||
homogenization_dPdF(3,3,3,3,ce))/3.0_pReal
|
||||
homogenization_dPdF(3,3,3,3,ce))/3.0_pREAL
|
||||
K_ele = K_ele + &
|
||||
matmul(transpose(BMatFull), &
|
||||
matmul(reshape(reshape(homogenization_dPdF(1:3,1:3,1:3,1:3,ce), &
|
||||
|
|
|
@ -40,7 +40,7 @@ module grid_mechanical_spectral_basic
|
|||
integer :: &
|
||||
itmin, & !< minimum number of iterations
|
||||
itmax !< maximum number of iterations
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
eps_div_atol, & !< absolute tolerance for equilibrium
|
||||
eps_div_rtol, & !< relative tolerance for equilibrium
|
||||
eps_stress_atol, & !< absolute tolerance for fullfillment of stress BC
|
||||
|
@ -57,28 +57,28 @@ module grid_mechanical_spectral_basic
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! common pointwise data
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:,:,:,:), allocatable :: &
|
||||
F_lastInc, & !< field of previous compatible deformation gradients
|
||||
Fdot !< field of assumed rate of compatible deformation gradient
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), dimension(3,3) :: &
|
||||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
F_aimDot = 0.0_pREAL, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
|
||||
P_aim = 0.0_pReal
|
||||
P_av = 0.0_pREAL, & !< average 1st Piola--Kirchhoff stress
|
||||
P_aim = 0.0_pREAL
|
||||
character(len=:), allocatable :: incInfo !< time and increment information
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
C_minMaxAvgRestart = 0.0_pReal, & !< (min+max)/2 stiffnes (restart)
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
real(pREAL), dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pREAL, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pREAL, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pREAL, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pREAL, & !< previous (min+max)/2 stiffness
|
||||
C_minMaxAvgRestart = 0.0_pREAL, & !< (min+max)/2 stiffnes (restart)
|
||||
S = 0.0_pREAL !< current compliance (filled up with zeros)
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
err_BC, & !< deviation from stress BC
|
||||
err_div !< RMS of div of P
|
||||
|
||||
|
@ -105,13 +105,13 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_mechanical_spectral_basic_init()
|
||||
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3) :: P
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3) :: P
|
||||
PetscErrorCode :: err_PETSc
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
real(pReal), pointer, dimension(:,:,:,:) :: &
|
||||
real(pREAL), pointer, dimension(:,:,:,:) :: &
|
||||
F ! pointer to solution data
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
real(pReal), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
|
||||
real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
type(tDict), pointer :: &
|
||||
num_grid
|
||||
|
@ -132,17 +132,17 @@ subroutine grid_mechanical_spectral_basic_init()
|
|||
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
|
||||
|
||||
num%update_gamma = num_grid%get_asBool('update_gamma', defaultVal=.false.)
|
||||
num%eps_div_atol = num_grid%get_asReal('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||||
num%eps_div_rtol = num_grid%get_asReal('eps_div_rtol', defaultVal=5.0e-4_pReal)
|
||||
num%eps_stress_atol = num_grid%get_asReal('eps_stress_atol',defaultVal=1.0e3_pReal)
|
||||
num%eps_stress_rtol = num_grid%get_asReal('eps_stress_rtol',defaultVal=1.0e-3_pReal)
|
||||
num%eps_div_atol = num_grid%get_asReal('eps_div_atol', defaultVal=1.0e-4_pREAL)
|
||||
num%eps_div_rtol = num_grid%get_asReal('eps_div_rtol', defaultVal=5.0e-4_pREAL)
|
||||
num%eps_stress_atol = num_grid%get_asReal('eps_stress_atol',defaultVal=1.0e3_pREAL)
|
||||
num%eps_stress_rtol = num_grid%get_asReal('eps_stress_rtol',defaultVal=1.0e-3_pREAL)
|
||||
num%itmin = num_grid%get_asInt ('itmin',defaultVal=1)
|
||||
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
|
||||
|
||||
if (num%eps_div_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_div_atol'
|
||||
if (num%eps_div_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_div_rtol'
|
||||
if (num%eps_stress_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_stress_atol'
|
||||
if (num%eps_stress_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_stress_rtol'
|
||||
if (num%eps_div_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_atol'
|
||||
if (num%eps_div_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_rtol'
|
||||
if (num%eps_stress_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_atol'
|
||||
if (num%eps_stress_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_rtol'
|
||||
if (num%itmax <= 1) extmsg = trim(extmsg)//' itmax'
|
||||
if (num%itmin > num%itmax .or. num%itmin < 1) extmsg = trim(extmsg)//' itmin'
|
||||
|
||||
|
@ -157,8 +157,8 @@ subroutine grid_mechanical_spectral_basic_init()
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate global fields
|
||||
allocate(F_lastInc(3,3,cells(1),cells(2),cells3),source = 0.0_pReal)
|
||||
allocate(Fdot (3,3,cells(1),cells(2),cells3),source = 0.0_pReal)
|
||||
allocate(F_lastInc(3,3,cells(1),cells(2),cells3),source = 0.0_pREAL)
|
||||
allocate(Fdot (3,3,cells(1),cells(2),cells3),source = 0.0_pREAL)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
|
@ -231,7 +231,7 @@ subroutine grid_mechanical_spectral_basic_init()
|
|||
call utilities_updateCoords(reshape(F,shape(F_lastInc)))
|
||||
call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal) ! time increment
|
||||
0.0_pREAL) ! time increment
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,err_PETSc) ! deassociate pointer
|
||||
CHKERRQ(err_PETSc)
|
||||
|
||||
|
@ -305,7 +305,7 @@ subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_
|
|||
logical, intent(in) :: &
|
||||
cutBack, &
|
||||
guess
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
Delta_t_old, &
|
||||
Delta_t, &
|
||||
t_remaining !< remaining time of current load case
|
||||
|
@ -315,7 +315,7 @@ subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_
|
|||
type(tRotation), intent(in) :: &
|
||||
rotation_BC
|
||||
PetscErrorCode :: err_PETSc
|
||||
real(pReal), pointer, dimension(:,:,:,:) :: F
|
||||
real(pREAL), pointer, dimension(:,:,:,:) :: F
|
||||
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,err_PETSc)
|
||||
|
@ -328,20 +328,20 @@ subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_
|
|||
C_volAvgLastInc = C_volAvg
|
||||
C_minMaxAvgLastInc = C_minMaxAvg
|
||||
|
||||
F_aimDot = merge(merge(.0_pReal,(F_aim-F_aim_lastInc)/Delta_t_old,stress_BC%mask),.0_pReal,guess) ! estimate deformation rate for prescribed stress components
|
||||
F_aimDot = merge(merge(.0_pREAL,(F_aim-F_aim_lastInc)/Delta_t_old,stress_BC%mask),.0_pREAL,guess) ! estimate deformation rate for prescribed stress components
|
||||
F_aim_lastInc = F_aim
|
||||
|
||||
!-----------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
if (deformation_BC%myType=='L') then ! calculate F_aimDot from given L and current F
|
||||
F_aimDot = F_aimDot &
|
||||
+ matmul(merge(.0_pReal,deformation_BC%values,deformation_BC%mask),F_aim_lastInc)
|
||||
+ matmul(merge(.0_pREAL,deformation_BC%values,deformation_BC%mask),F_aim_lastInc)
|
||||
elseif (deformation_BC%myType=='dot_F') then ! F_aimDot is prescribed
|
||||
F_aimDot = F_aimDot &
|
||||
+ merge(.0_pReal,deformation_BC%values,deformation_BC%mask)
|
||||
+ merge(.0_pREAL,deformation_BC%values,deformation_BC%mask)
|
||||
elseif (deformation_BC%myType=='F') then ! aim at end of load case is prescribed
|
||||
F_aimDot = F_aimDot &
|
||||
+ merge(.0_pReal,(deformation_BC%values - F_aim_lastInc)/t_remaining,deformation_BC%mask)
|
||||
+ merge(.0_pREAL,(deformation_BC%values - F_aim_lastInc)/t_remaining,deformation_BC%mask)
|
||||
end if
|
||||
|
||||
Fdot = utilities_calculateRate(guess, &
|
||||
|
@ -356,9 +356,9 @@ subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_
|
|||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * Delta_t
|
||||
if (stress_BC%myType=='P') P_aim = P_aim &
|
||||
+ merge(.0_pReal,(stress_BC%values - P_aim)/t_remaining,stress_BC%mask)*Delta_t
|
||||
+ merge(.0_pREAL,(stress_BC%values - P_aim)/t_remaining,stress_BC%mask)*Delta_t
|
||||
if (stress_BC%myType=='dot_P') P_aim = P_aim &
|
||||
+ merge(.0_pReal,stress_BC%values,stress_BC%mask)*Delta_t
|
||||
+ merge(.0_pREAL,stress_BC%values,stress_BC%mask)*Delta_t
|
||||
|
||||
F = reshape(utilities_forwardField(Delta_t,F_lastInc,Fdot, & ! estimate of F at end of time+Delta_t that matches rotated F_aim on average
|
||||
rotation_BC%rotate(F_aim,active=.true.)),[9,cells(1),cells(2),cells3])
|
||||
|
@ -380,7 +380,7 @@ end subroutine grid_mechanical_spectral_basic_forward
|
|||
subroutine grid_mechanical_spectral_basic_updateCoords
|
||||
|
||||
PetscErrorCode :: err_PETSc
|
||||
real(pReal), dimension(:,:,:,:), pointer :: F
|
||||
real(pREAL), dimension(:,:,:,:), pointer :: F
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -398,7 +398,7 @@ subroutine grid_mechanical_spectral_basic_restartWrite
|
|||
|
||||
PetscErrorCode :: err_PETSc
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
real(pReal), dimension(:,:,:,:), pointer :: F
|
||||
real(pREAL), dimension(:,:,:,:), pointer :: F
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -448,14 +448,14 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
|
|||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: err_PETSc
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
divTol, &
|
||||
BCTol
|
||||
|
||||
divTol = max(maxval(abs(P_av))*num%eps_div_rtol, num%eps_div_atol)
|
||||
BCTol = max(maxval(abs(P_av))*num%eps_stress_rtol, num%eps_stress_atol)
|
||||
|
||||
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_BC/BCTol] < 1.0_pReal)) &
|
||||
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_BC/BCTol] < 1.0_pREAL)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= num%itmax) then
|
||||
|
@ -484,14 +484,14 @@ subroutine formResidual(residual_subdomain, F, &
|
|||
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
|
||||
residual_subdomain !< DMDA info (needs to be named "in" for macros like XRANGE to work)
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: &
|
||||
F !< deformation gradient field
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3), intent(out) :: &
|
||||
r !< residuum field
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: err_PETSc
|
||||
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
deltaF_aim
|
||||
PetscInt :: &
|
||||
PETScIter, &
|
||||
|
@ -509,7 +509,7 @@ subroutine formResidual(residual_subdomain, F, &
|
|||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
|
||||
if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
|
||||
if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pREAL)))) &
|
||||
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
|
@ -528,7 +528,7 @@ subroutine formResidual(residual_subdomain, F, &
|
|||
|
||||
deltaF_aim = math_mul3333xx33(S, P_av - P_aim) ! S = 0.0 for no bc
|
||||
F_aim = F_aim - deltaF_aim
|
||||
err_BC = maxval(abs(merge(.0_pReal,P_av - P_aim,params%stress_mask)))
|
||||
err_BC = maxval(abs(merge(.0_pREAL,P_av - P_aim,params%stress_mask)))
|
||||
|
||||
r = utilities_GammaConvolution(r,params%rotation_BC%rotate(deltaF_aim,active=.true.))
|
||||
|
||||
|
|
|
@ -40,14 +40,14 @@ module grid_mechanical_spectral_polarisation
|
|||
integer :: &
|
||||
itmin, & !< minimum number of iterations
|
||||
itmax !< maximum number of iterations
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
eps_div_atol, & !< absolute tolerance for equilibrium
|
||||
eps_div_rtol, & !< relative tolerance for equilibrium
|
||||
eps_curl_atol, & !< absolute tolerance for compatibility
|
||||
eps_curl_rtol, & !< relative tolerance for compatibility
|
||||
eps_stress_atol, & !< absolute tolerance for fullfillment of stress BC
|
||||
eps_stress_rtol !< relative tolerance for fullfillment of stress BC
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
alpha, & !< polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
|
||||
beta !< polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
|
||||
end type tNumerics
|
||||
|
@ -62,7 +62,7 @@ module grid_mechanical_spectral_polarisation
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! common pointwise data
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:,:,:,:), allocatable :: &
|
||||
F_lastInc, & !< field of previous compatible deformation gradients
|
||||
F_tau_lastInc, & !< field of previous incompatible deformation gradient
|
||||
Fdot, & !< field of assumed rate of compatible deformation gradient
|
||||
|
@ -70,25 +70,25 @@ module grid_mechanical_spectral_polarisation
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), dimension(3,3) :: &
|
||||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
F_aimDot = 0.0_pREAL, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
F_av = 0.0_pReal, & !< average incompatible def grad field
|
||||
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
|
||||
P_aim = 0.0_pReal
|
||||
F_av = 0.0_pREAL, & !< average incompatible def grad field
|
||||
P_av = 0.0_pREAL, & !< average 1st Piola--Kirchhoff stress
|
||||
P_aim = 0.0_pREAL
|
||||
character(len=:), allocatable :: incInfo !< time and increment information
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
C_minMaxAvgRestart = 0.0_pReal, & !< (min+max)/2 stiffnes (restart)
|
||||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||
C_scale = 0.0_pReal, &
|
||||
S_scale = 0.0_pReal
|
||||
real(pREAL), dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pREAL, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pREAL, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pREAL, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pREAL, & !< previous (min+max)/2 stiffness
|
||||
C_minMaxAvgRestart = 0.0_pREAL, & !< (min+max)/2 stiffnes (restart)
|
||||
S = 0.0_pREAL, & !< current compliance (filled up with zeros)
|
||||
C_scale = 0.0_pREAL, &
|
||||
S_scale = 0.0_pREAL
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
err_BC, & !< deviation from stress BC
|
||||
err_curl, & !< RMS of curl of F
|
||||
err_div !< RMS of div of P
|
||||
|
@ -116,15 +116,15 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_mechanical_spectral_polarisation_init()
|
||||
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3) :: P
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3) :: P
|
||||
PetscErrorCode :: err_PETSc
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
real(pReal), pointer, dimension(:,:,:,:) :: &
|
||||
real(pREAL), pointer, dimension(:,:,:,:) :: &
|
||||
FandF_tau, & ! overall pointer to solution data
|
||||
F, & ! specific (sub)pointer
|
||||
F_tau ! specific (sub)pointer
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
real(pReal), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
|
||||
real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
type(tDict), pointer :: &
|
||||
num_grid
|
||||
|
@ -143,27 +143,27 @@ subroutine grid_mechanical_spectral_polarisation_init()
|
|||
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
|
||||
|
||||
num%update_gamma = num_grid%get_asBool('update_gamma', defaultVal=.false.)
|
||||
num%eps_div_atol = num_grid%get_asReal('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||||
num%eps_div_rtol = num_grid%get_asReal('eps_div_rtol', defaultVal=5.0e-4_pReal)
|
||||
num%eps_curl_atol = num_grid%get_asReal('eps_curl_atol', defaultVal=1.0e-10_pReal)
|
||||
num%eps_curl_rtol = num_grid%get_asReal('eps_curl_rtol', defaultVal=5.0e-4_pReal)
|
||||
num%eps_stress_atol = num_grid%get_asReal('eps_stress_atol',defaultVal=1.0e3_pReal)
|
||||
num%eps_stress_rtol = num_grid%get_asReal('eps_stress_rtol',defaultVal=1.0e-3_pReal)
|
||||
num%eps_div_atol = num_grid%get_asReal('eps_div_atol', defaultVal=1.0e-4_pREAL)
|
||||
num%eps_div_rtol = num_grid%get_asReal('eps_div_rtol', defaultVal=5.0e-4_pREAL)
|
||||
num%eps_curl_atol = num_grid%get_asReal('eps_curl_atol', defaultVal=1.0e-10_pREAL)
|
||||
num%eps_curl_rtol = num_grid%get_asReal('eps_curl_rtol', defaultVal=5.0e-4_pREAL)
|
||||
num%eps_stress_atol = num_grid%get_asReal('eps_stress_atol',defaultVal=1.0e3_pREAL)
|
||||
num%eps_stress_rtol = num_grid%get_asReal('eps_stress_rtol',defaultVal=1.0e-3_pREAL)
|
||||
num%itmin = num_grid%get_asInt ('itmin', defaultVal=1)
|
||||
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
|
||||
num%alpha = num_grid%get_asReal('alpha', defaultVal=1.0_pReal)
|
||||
num%beta = num_grid%get_asReal('beta', defaultVal=1.0_pReal)
|
||||
num%alpha = num_grid%get_asReal('alpha', defaultVal=1.0_pREAL)
|
||||
num%beta = num_grid%get_asReal('beta', defaultVal=1.0_pREAL)
|
||||
|
||||
if (num%eps_div_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_div_atol'
|
||||
if (num%eps_div_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_div_rtol'
|
||||
if (num%eps_curl_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_curl_atol'
|
||||
if (num%eps_curl_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_curl_rtol'
|
||||
if (num%eps_stress_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_stress_atol'
|
||||
if (num%eps_stress_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_stress_rtol'
|
||||
if (num%eps_div_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_atol'
|
||||
if (num%eps_div_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_rtol'
|
||||
if (num%eps_curl_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_curl_atol'
|
||||
if (num%eps_curl_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_curl_rtol'
|
||||
if (num%eps_stress_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_atol'
|
||||
if (num%eps_stress_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_rtol'
|
||||
if (num%itmax <= 1) extmsg = trim(extmsg)//' itmax'
|
||||
if (num%itmin > num%itmax .or. num%itmin < 1) extmsg = trim(extmsg)//' itmin'
|
||||
if (num%alpha <= 0.0_pReal .or. num%alpha > 2.0_pReal) extmsg = trim(extmsg)//' alpha'
|
||||
if (num%beta < 0.0_pReal .or. num%beta > 2.0_pReal) extmsg = trim(extmsg)//' beta'
|
||||
if (num%alpha <= 0.0_pREAL .or. num%alpha > 2.0_pREAL) extmsg = trim(extmsg)//' alpha'
|
||||
if (num%beta < 0.0_pREAL .or. num%beta > 2.0_pREAL) extmsg = trim(extmsg)//' beta'
|
||||
|
||||
if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))
|
||||
|
||||
|
@ -176,10 +176,10 @@ subroutine grid_mechanical_spectral_polarisation_init()
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate global fields
|
||||
allocate(F_lastInc (3,3,cells(1),cells(2),cells3),source = 0.0_pReal)
|
||||
allocate(Fdot (3,3,cells(1),cells(2),cells3),source = 0.0_pReal)
|
||||
allocate(F_tau_lastInc(3,3,cells(1),cells(2),cells3),source = 0.0_pReal)
|
||||
allocate(F_tauDot (3,3,cells(1),cells(2),cells3),source = 0.0_pReal)
|
||||
allocate(F_lastInc (3,3,cells(1),cells(2),cells3),source = 0.0_pREAL)
|
||||
allocate(Fdot (3,3,cells(1),cells(2),cells3),source = 0.0_pREAL)
|
||||
allocate(F_tau_lastInc(3,3,cells(1),cells(2),cells3),source = 0.0_pREAL)
|
||||
allocate(F_tauDot (3,3,cells(1),cells(2),cells3),source = 0.0_pREAL)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
|
@ -252,15 +252,15 @@ subroutine grid_mechanical_spectral_polarisation_init()
|
|||
elseif (CLI_restartInc == 0) then restartRead
|
||||
F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity
|
||||
F = reshape(F_lastInc,[9,cells(1),cells(2),cells3])
|
||||
F_tau = 2.0_pReal*F
|
||||
F_tau_lastInc = 2.0_pReal*F_lastInc
|
||||
F_tau = 2.0_pREAL*F
|
||||
F_tau_lastInc = 2.0_pREAL*F_lastInc
|
||||
end if restartRead
|
||||
|
||||
homogenization_F0 = reshape(F_lastInc, [3,3,product(cells(1:2))*cells3]) ! set starting condition for homogenization_mechanical_response
|
||||
call utilities_updateCoords(reshape(F,shape(F_lastInc)))
|
||||
call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal) ! time increment
|
||||
0.0_pREAL) ! time increment
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,err_PETSc) ! deassociate pointer
|
||||
CHKERRQ(err_PETSc)
|
||||
|
||||
|
@ -340,7 +340,7 @@ subroutine grid_mechanical_spectral_polarisation_forward(cutBack,guess,Delta_t,D
|
|||
logical, intent(in) :: &
|
||||
cutBack, &
|
||||
guess
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
Delta_t_old, &
|
||||
Delta_t, &
|
||||
t_remaining !< remaining time of current load case
|
||||
|
@ -350,9 +350,9 @@ subroutine grid_mechanical_spectral_polarisation_forward(cutBack,guess,Delta_t,D
|
|||
type(tRotation), intent(in) :: &
|
||||
rotation_BC
|
||||
PetscErrorCode :: err_PETSc
|
||||
real(pReal), pointer, dimension(:,:,:,:) :: FandF_tau, F, F_tau
|
||||
real(pREAL), pointer, dimension(:,:,:,:) :: FandF_tau, F, F_tau
|
||||
integer :: i, j, k
|
||||
real(pReal), dimension(3,3) :: F_lambda33
|
||||
real(pREAL), dimension(3,3) :: F_lambda33
|
||||
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,err_PETSc)
|
||||
|
@ -367,20 +367,20 @@ subroutine grid_mechanical_spectral_polarisation_forward(cutBack,guess,Delta_t,D
|
|||
C_volAvgLastInc = C_volAvg
|
||||
C_minMaxAvgLastInc = C_minMaxAvg
|
||||
|
||||
F_aimDot = merge(merge(.0_pReal,(F_aim-F_aim_lastInc)/Delta_t_old,stress_BC%mask),.0_pReal,guess) ! estimate deformation rate for prescribed stress components
|
||||
F_aimDot = merge(merge(.0_pREAL,(F_aim-F_aim_lastInc)/Delta_t_old,stress_BC%mask),.0_pREAL,guess) ! estimate deformation rate for prescribed stress components
|
||||
F_aim_lastInc = F_aim
|
||||
|
||||
!-----------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
if (deformation_BC%myType=='L') then ! calculate F_aimDot from given L and current F
|
||||
F_aimDot = F_aimDot &
|
||||
+ matmul(merge(.0_pReal,deformation_BC%values,deformation_BC%mask),F_aim_lastInc)
|
||||
+ matmul(merge(.0_pREAL,deformation_BC%values,deformation_BC%mask),F_aim_lastInc)
|
||||
elseif (deformation_BC%myType=='dot_F') then ! F_aimDot is prescribed
|
||||
F_aimDot = F_aimDot &
|
||||
+ merge(.0_pReal,deformation_BC%values,deformation_BC%mask)
|
||||
+ merge(.0_pREAL,deformation_BC%values,deformation_BC%mask)
|
||||
elseif (deformation_BC%myType=='F') then ! aim at end of load case is prescribed
|
||||
F_aimDot = F_aimDot &
|
||||
+ merge(.0_pReal,(deformation_BC%values - F_aim_lastInc)/t_remaining,deformation_BC%mask)
|
||||
+ merge(.0_pREAL,(deformation_BC%values - F_aim_lastInc)/t_remaining,deformation_BC%mask)
|
||||
end if
|
||||
|
||||
Fdot = utilities_calculateRate(guess, &
|
||||
|
@ -399,9 +399,9 @@ subroutine grid_mechanical_spectral_polarisation_forward(cutBack,guess,Delta_t,D
|
|||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * Delta_t
|
||||
if (stress_BC%myType=='P') P_aim = P_aim &
|
||||
+ merge(.0_pReal,(stress_BC%values - P_aim)/t_remaining,stress_BC%mask)*Delta_t
|
||||
+ merge(.0_pREAL,(stress_BC%values - P_aim)/t_remaining,stress_BC%mask)*Delta_t
|
||||
if (stress_BC%myType=='dot_P') P_aim = P_aim &
|
||||
+ merge(.0_pReal,stress_BC%values,stress_BC%mask)*Delta_t
|
||||
+ merge(.0_pREAL,stress_BC%values,stress_BC%mask)*Delta_t
|
||||
|
||||
F = reshape(utilities_forwardField(Delta_t,F_lastInc,Fdot, & ! estimate of F at end of time+Delta_t that matches rotated F_aim on average
|
||||
rotation_BC%rotate(F_aim,active=.true.)),&
|
||||
|
@ -413,7 +413,7 @@ subroutine grid_mechanical_spectral_polarisation_forward(cutBack,guess,Delta_t,D
|
|||
do k = 1, cells3; do j = 1, cells(2); do i = 1, cells(1)
|
||||
F_lambda33 = reshape(F_tau(1:9,i,j,k)-F(1:9,i,j,k),[3,3])
|
||||
F_lambda33 = math_I3 &
|
||||
+ math_mul3333xx33(S_scale,0.5_pReal*matmul(F_lambda33, &
|
||||
+ math_mul3333xx33(S_scale,0.5_pREAL*matmul(F_lambda33, &
|
||||
math_mul3333xx33(C_scale,matmul(transpose(F_lambda33),F_lambda33)-math_I3)))
|
||||
F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k)
|
||||
end do; end do; end do
|
||||
|
@ -437,7 +437,7 @@ end subroutine grid_mechanical_spectral_polarisation_forward
|
|||
subroutine grid_mechanical_spectral_polarisation_updateCoords
|
||||
|
||||
PetscErrorCode :: err_PETSc
|
||||
real(pReal), dimension(:,:,:,:), pointer :: FandF_tau
|
||||
real(pREAL), dimension(:,:,:,:), pointer :: FandF_tau
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -455,7 +455,7 @@ subroutine grid_mechanical_spectral_polarisation_restartWrite
|
|||
|
||||
PetscErrorCode :: err_PETSc
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
real(pReal), dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
|
||||
real(pREAL), dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -509,7 +509,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
|
|||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: err_PETSc
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
curlTol, &
|
||||
divTol, &
|
||||
BCTol
|
||||
|
@ -518,7 +518,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
|
|||
divTol = max(maxval(abs(P_av))*num%eps_div_rtol, num%eps_div_atol)
|
||||
BCTol = max(maxval(abs(P_av))*num%eps_stress_rtol, num%eps_stress_atol)
|
||||
|
||||
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_curl/curlTol, err_BC/BCTol] < 1.0_pReal)) &
|
||||
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_curl/curlTol, err_BC/BCTol] < 1.0_pREAL)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= num%itmax) then
|
||||
|
@ -548,14 +548,14 @@ subroutine formResidual(residual_subdomain, FandF_tau, &
|
|||
r, dummy,err_PETSc)
|
||||
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: residual_subdomain !< DMDA info (needs to be named "in" for macros like XRANGE to work)
|
||||
real(pReal), dimension(3,3,2,cells(1),cells(2),cells3), target, intent(in) :: &
|
||||
real(pREAL), dimension(3,3,2,cells(1),cells(2),cells3), target, intent(in) :: &
|
||||
FandF_tau !< deformation gradient field
|
||||
real(pReal), dimension(3,3,2,cells(1),cells(2),cells3), target, intent(out) :: &
|
||||
real(pREAL), dimension(3,3,2,cells(1),cells(2),cells3), target, intent(out) :: &
|
||||
r !< residuum field
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: err_PETSc
|
||||
|
||||
real(pReal), pointer, dimension(:,:,:,:,:) :: &
|
||||
real(pREAL), pointer, dimension(:,:,:,:,:) :: &
|
||||
F, &
|
||||
F_tau, &
|
||||
r_F, &
|
||||
|
@ -587,7 +587,7 @@ subroutine formResidual(residual_subdomain, FandF_tau, &
|
|||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
|
||||
if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
|
||||
if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pREAL)))) &
|
||||
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
|
|
|
@ -35,7 +35,7 @@ module grid_thermal_spectral
|
|||
type :: tNumerics
|
||||
integer :: &
|
||||
itmax !< maximum number of iterations
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
eps_thermal_atol, & !< absolute tolerance for thermal equilibrium
|
||||
eps_thermal_rtol !< relative tolerance for thermal equilibrium
|
||||
end type tNumerics
|
||||
|
@ -47,7 +47,7 @@ module grid_thermal_spectral
|
|||
! PETSc data
|
||||
SNES :: SNES_thermal
|
||||
Vec :: solution_vec
|
||||
real(pReal), dimension(:,:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:,:), allocatable :: &
|
||||
T, & !< field of current temperature
|
||||
T_lastInc, & !< field of previous temperature
|
||||
T_stagInc, & !< field of staggered temperature
|
||||
|
@ -55,8 +55,8 @@ module grid_thermal_spectral
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! reference diffusion tensor, mobility etc.
|
||||
integer :: totalIter = 0 !< total iteration in current increment
|
||||
real(pReal), dimension(3,3) :: K_ref
|
||||
real(pReal) :: mu_ref
|
||||
real(pREAL), dimension(3,3) :: K_ref
|
||||
real(pREAL) :: mu_ref
|
||||
|
||||
public :: &
|
||||
grid_thermal_spectral_init, &
|
||||
|
@ -74,11 +74,11 @@ subroutine grid_thermal_spectral_init()
|
|||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer :: i, j, k, ce
|
||||
DM :: thermal_grid
|
||||
real(pReal), dimension(:,:,:), pointer :: T_PETSc
|
||||
real(pREAL), dimension(:,:,:), pointer :: T_PETSc
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
PetscErrorCode :: err_PETSc
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
real(pReal), dimension(1,product(cells(1:2))*cells3) :: tempN
|
||||
real(pREAL), dimension(1,product(cells(1:2))*cells3) :: tempN
|
||||
type(tDict), pointer :: &
|
||||
num_grid
|
||||
|
||||
|
@ -93,12 +93,12 @@ subroutine grid_thermal_spectral_init()
|
|||
! read numerical parameters and do sanity checks
|
||||
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
|
||||
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
|
||||
num%eps_thermal_atol = num_grid%get_asReal('eps_thermal_atol',defaultVal=1.0e-2_pReal)
|
||||
num%eps_thermal_rtol = num_grid%get_asReal('eps_thermal_rtol',defaultVal=1.0e-6_pReal)
|
||||
num%eps_thermal_atol = num_grid%get_asReal('eps_thermal_atol',defaultVal=1.0e-2_pREAL)
|
||||
num%eps_thermal_rtol = num_grid%get_asReal('eps_thermal_rtol',defaultVal=1.0e-6_pREAL)
|
||||
|
||||
if (num%itmax <= 1) call IO_error(301,ext_msg='itmax')
|
||||
if (num%eps_thermal_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_thermal_atol')
|
||||
if (num%eps_thermal_rtol <= 0.0_pReal) call IO_error(301,ext_msg='eps_thermal_rtol')
|
||||
if (num%eps_thermal_atol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_thermal_atol')
|
||||
if (num%eps_thermal_rtol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_thermal_rtol')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set default and user defined options for PETSc
|
||||
|
@ -113,7 +113,7 @@ subroutine grid_thermal_spectral_init()
|
|||
T = discretization_grid_getInitialCondition('T')
|
||||
T_lastInc = T
|
||||
T_stagInc = T
|
||||
dotT_lastInc = 0.0_pReal * T
|
||||
dotT_lastInc = 0.0_pREAL * T
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
|
@ -165,7 +165,7 @@ subroutine grid_thermal_spectral_init()
|
|||
ce = 0
|
||||
do k = 1, cells3; do j = 1, cells(2); do i = 1, cells(1)
|
||||
ce = ce + 1
|
||||
call homogenization_thermal_setField(T(i,j,k),0.0_pReal,ce)
|
||||
call homogenization_thermal_setField(T(i,j,k),0.0_pREAL,ce)
|
||||
end do; end do; end do
|
||||
|
||||
call DMDAVecGetArrayF90(thermal_grid,solution_vec,T_PETSc,err_PETSc)
|
||||
|
@ -184,7 +184,7 @@ end subroutine grid_thermal_spectral_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function grid_thermal_spectral_solution(Delta_t) result(solution)
|
||||
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
Delta_t !< increment in time for current solution
|
||||
integer :: i, j, k, ce
|
||||
type(tSolutionState) :: solution
|
||||
|
@ -251,7 +251,7 @@ subroutine grid_thermal_spectral_forward(cutBack)
|
|||
|
||||
integer :: i, j, k, ce
|
||||
DM :: dm_local
|
||||
real(pReal), dimension(:,:,:), pointer :: T_PETSc
|
||||
real(pREAL), dimension(:,:,:), pointer :: T_PETSc
|
||||
PetscErrorCode :: err_PETSc
|
||||
|
||||
|
||||
|
@ -290,7 +290,7 @@ subroutine grid_thermal_spectral_restartWrite
|
|||
PetscErrorCode :: err_PETSc
|
||||
DM :: dm_local
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
real(pReal), dimension(:,:,:), pointer :: T
|
||||
real(pREAL), dimension(:,:,:), pointer :: T
|
||||
|
||||
call SNESGetDM(SNES_thermal,dm_local,err_PETSc);
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -321,15 +321,15 @@ subroutine formResidual(residual_subdomain,x_scal,r,dummy,err_PETSc)
|
|||
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
|
||||
residual_subdomain
|
||||
real(pReal), dimension(cells(1),cells(2),cells3), intent(in) :: &
|
||||
real(pREAL), dimension(cells(1),cells(2),cells3), intent(in) :: &
|
||||
x_scal
|
||||
real(pReal), dimension(cells(1),cells(2),cells3), intent(out) :: &
|
||||
real(pREAL), dimension(cells(1),cells(2),cells3), intent(out) :: &
|
||||
r !< residual
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode, intent(out) :: err_PETSc
|
||||
|
||||
integer :: i, j, k, ce
|
||||
real(pReal), dimension(3,cells(1),cells(2),cells3) :: vectorField
|
||||
real(pREAL), dimension(3,cells(1),cells(2),cells3) :: vectorField
|
||||
|
||||
|
||||
T = x_scal
|
||||
|
@ -364,8 +364,8 @@ subroutine updateReference()
|
|||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
|
||||
|
||||
K_ref = 0.0_pReal
|
||||
mu_ref = 0.0_pReal
|
||||
K_ref = 0.0_pREAL
|
||||
mu_ref = 0.0_pREAL
|
||||
do ce = 1, product(cells(1:2))*cells3
|
||||
K_ref = K_ref + homogenization_K_T(ce)
|
||||
mu_ref = mu_ref + homogenization_mu_T(ce)
|
||||
|
|
|
@ -32,8 +32,8 @@ module spectral_utilities
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! grid related information
|
||||
real(pReal), protected, public :: wgt !< weighting factor 1/Nelems
|
||||
real(pReal), protected, public, dimension(3) :: scaledGeomSize !< scaled geometry size for calculation of divergence
|
||||
real(pREAL), protected, public :: wgt !< weighting factor 1/Nelems
|
||||
real(pREAL), protected, public, dimension(3) :: scaledGeomSize !< scaled geometry size for calculation of divergence
|
||||
integer :: &
|
||||
cells1Red, & !< cells(1)/2+1
|
||||
cells2, & !< (local) cells in 2nd direction
|
||||
|
@ -48,10 +48,10 @@ module spectral_utilities
|
|||
complex(C_DOUBLE_COMPLEX), dimension(:,:,:,:,:), pointer :: tensorField_fourier !< tensor field in Fourier space
|
||||
complex(C_DOUBLE_COMPLEX), dimension(:,:,:,:), pointer :: vectorField_fourier !< vector field in Fourier space
|
||||
complex(C_DOUBLE_COMPLEX), dimension(:,:,:), pointer :: scalarField_fourier !< scalar field in Fourier space
|
||||
complex(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat !< gamma operator (field) for spectral method
|
||||
complex(pReal), dimension(:,:,:,:), allocatable :: xi1st !< wave vector field for first derivatives
|
||||
complex(pReal), dimension(:,:,:,:), allocatable :: xi2nd !< wave vector field for second derivatives
|
||||
real(pReal), dimension(3,3,3,3) :: C_ref !< mechanic reference stiffness
|
||||
complex(pREAL), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat !< gamma operator (field) for spectral method
|
||||
complex(pREAL), dimension(:,:,:,:), allocatable :: xi1st !< wave vector field for first derivatives
|
||||
complex(pREAL), dimension(:,:,:,:), allocatable :: xi2nd !< wave vector field for second derivatives
|
||||
real(pREAL), dimension(3,3,3,3) :: C_ref !< mechanic reference stiffness
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -76,16 +76,16 @@ module spectral_utilities
|
|||
end type tSolutionState
|
||||
|
||||
type, public :: tBoundaryCondition !< set of parameters defining a boundary condition
|
||||
real(pReal), dimension(3,3) :: values = 0.0_pReal
|
||||
real(pREAL), dimension(3,3) :: values = 0.0_pREAL
|
||||
logical, dimension(3,3) :: mask = .true.
|
||||
character(len=:), allocatable :: myType
|
||||
end type tBoundaryCondition
|
||||
|
||||
type, public :: tSolutionParams
|
||||
real(pReal), dimension(3,3) :: stress_BC
|
||||
real(pREAL), dimension(3,3) :: stress_BC
|
||||
logical, dimension(3,3) :: stress_mask
|
||||
type(tRotation) :: rotation_BC
|
||||
real(pReal) :: Delta_t
|
||||
real(pREAL) :: Delta_t
|
||||
end type tSolutionParams
|
||||
|
||||
type :: tNumerics
|
||||
|
@ -172,7 +172,7 @@ subroutine spectral_utilities_init()
|
|||
CHKERRQ(err_PETSc)
|
||||
|
||||
cells1Red = cells(1)/2 + 1
|
||||
wgt = real(product(cells),pReal)**(-1)
|
||||
wgt = real(product(cells),pREAL)**(-1)
|
||||
|
||||
num%memory_efficient = num_grid%get_asInt('memory_efficient', defaultVal=1) > 0 ! ToDo: should be logical in YAML file
|
||||
num%divergence_correction = num_grid%get_asInt('divergence_correction', defaultVal=2)
|
||||
|
@ -201,9 +201,9 @@ subroutine spectral_utilities_init()
|
|||
end do
|
||||
elseif (num%divergence_correction == 2) then
|
||||
do j = 1, 3
|
||||
if ( j /= int(minloc(geomSize/real(cells,pReal),1)) &
|
||||
.and. j /= int(maxloc(geomSize/real(cells,pReal),1))) &
|
||||
scaledGeomSize = geomSize/geomSize(j)*real(cells(j),pReal)
|
||||
if ( j /= int(minloc(geomSize/real(cells,pREAL),1)) &
|
||||
.and. j /= int(maxloc(geomSize/real(cells,pREAL),1))) &
|
||||
scaledGeomSize = geomSize/geomSize(j)*real(cells(j),pREAL)
|
||||
end do
|
||||
else
|
||||
scaledGeomSize = geomSize
|
||||
|
@ -225,8 +225,8 @@ subroutine spectral_utilities_init()
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! general initialization of FFTW (see manual on fftw.org for more details)
|
||||
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match'
|
||||
call fftw_set_timelimit(num_grid%get_asReal('fftw_timelimit',defaultVal=300.0_pReal))
|
||||
if (pREAL /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match'
|
||||
call fftw_set_timelimit(num_grid%get_asReal('fftw_timelimit',defaultVal=300.0_pREAL))
|
||||
|
||||
print'(/,1x,a)', 'FFTW initialized'; flush(IO_STDOUT)
|
||||
|
||||
|
@ -268,8 +268,8 @@ subroutine spectral_utilities_init()
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocation
|
||||
allocate (xi1st (3,cells1Red,cells(3),cells2),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for first derivatives, only half the size for first dimension
|
||||
allocate (xi2nd (3,cells1Red,cells(3),cells2),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for second derivatives, only half the size for first dimension
|
||||
allocate (xi1st (3,cells1Red,cells(3),cells2),source = cmplx(0.0_pREAL,0.0_pREAL,pREAL)) ! frequencies for first derivatives, only half the size for first dimension
|
||||
allocate (xi2nd (3,cells1Red,cells(3),cells2),source = cmplx(0.0_pREAL,0.0_pREAL,pREAL)) ! frequencies for second derivatives, only half the size for first dimension
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! tensor MPI fftw plans
|
||||
|
@ -321,16 +321,16 @@ subroutine spectral_utilities_init()
|
|||
xi2nd(1:3,i,k,j-cells2Offset) = utilities_getFreqDerivative(k_s)
|
||||
where(mod(cells,2)==0 .and. [i,j,k] == cells/2+1 .and. &
|
||||
spectral_derivative_ID == DERIVATIVE_CONTINUOUS_ID) ! for even grids, set the Nyquist Freq component to 0.0
|
||||
xi1st(1:3,i,k,j-cells2Offset) = cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
xi1st(1:3,i,k,j-cells2Offset) = cmplx(0.0_pREAL,0.0_pREAL,pREAL)
|
||||
elsewhere
|
||||
xi1st(1:3,i,k,j-cells2Offset) = xi2nd(1:3,i,k,j-cells2Offset)
|
||||
endwhere
|
||||
end do; end do; end do
|
||||
|
||||
if (num%memory_efficient) then ! allocate just single fourth order tensor
|
||||
allocate (gamma_hat(3,3,3,3,1,1,1), source = cmplx(0.0_pReal,0.0_pReal,pReal))
|
||||
allocate (gamma_hat(3,3,3,3,1,1,1), source = cmplx(0.0_pREAL,0.0_pREAL,pREAL))
|
||||
else ! precalculation of gamma_hat field
|
||||
allocate (gamma_hat(3,3,3,3,cells1Red,cells(3),cells2), source = cmplx(0.0_pReal,0.0_pReal,pReal))
|
||||
allocate (gamma_hat(3,3,3,3,cells1Red,cells(3),cells2), source = cmplx(0.0_pREAL,0.0_pREAL,pREAL))
|
||||
end if
|
||||
|
||||
call selfTest()
|
||||
|
@ -346,10 +346,10 @@ end subroutine spectral_utilities_init
|
|||
!---------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_updateGamma(C)
|
||||
|
||||
real(pReal), intent(in), dimension(3,3,3,3) :: C !< input stiffness to store as reference stiffness
|
||||
real(pREAL), intent(in), dimension(3,3,3,3) :: C !< input stiffness to store as reference stiffness
|
||||
|
||||
complex(pReal), dimension(3,3) :: temp33_cmplx, xiDyad_cmplx
|
||||
real(pReal), dimension(6,6) :: A, A_inv
|
||||
complex(pREAL), dimension(3,3) :: temp33_cmplx, xiDyad_cmplx
|
||||
real(pREAL), dimension(6,6) :: A, A_inv
|
||||
integer :: &
|
||||
i, j, k, &
|
||||
l, m, n, o
|
||||
|
@ -359,7 +359,7 @@ subroutine utilities_updateGamma(C)
|
|||
C_ref = C/wgt
|
||||
|
||||
if (.not. num%memory_efficient) then
|
||||
gamma_hat = cmplx(0.0_pReal,0.0_pReal,pReal) ! for the singular point and any non invertible A
|
||||
gamma_hat = cmplx(0.0_pREAL,0.0_pREAL,pREAL) ! for the singular point and any non invertible A
|
||||
!$OMP PARALLEL DO PRIVATE(l,m,n,o,temp33_cmplx,xiDyad_cmplx,A,A_inv,err)
|
||||
do j = cells2Offset+1, cells2Offset+cells2; do k = 1, cells(3); do i = 1, cells1Red
|
||||
if (any([i,j,k] /= 1)) then ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
|
||||
|
@ -368,19 +368,19 @@ subroutine utilities_updateGamma(C)
|
|||
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,k,j-cells2Offset))*xi1st(m,i,k,j-cells2Offset)
|
||||
end do
|
||||
do concurrent(l = 1:3, m = 1:3)
|
||||
temp33_cmplx(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal,pReal)*xiDyad_cmplx)
|
||||
temp33_cmplx(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pREAL,pREAL)*xiDyad_cmplx)
|
||||
end do
|
||||
#else
|
||||
forall(l = 1:3, m = 1:3) &
|
||||
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,k,j-cells2Offset))*xi1st(m,i,k,j-cells2Offset)
|
||||
forall(l = 1:3, m = 1:3) &
|
||||
temp33_cmplx(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal,pReal)*xiDyad_cmplx)
|
||||
temp33_cmplx(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pREAL,pREAL)*xiDyad_cmplx)
|
||||
#endif
|
||||
A(1:3,1:3) = temp33_cmplx%re; A(4:6,4:6) = temp33_cmplx%re
|
||||
A(1:3,4:6) = temp33_cmplx%im; A(4:6,1:3) = -temp33_cmplx%im
|
||||
if (abs(math_det33(A(1:3,1:3))) > 1.e-16_pReal) then
|
||||
if (abs(math_det33(A(1:3,1:3))) > 1.e-16_pREAL) then
|
||||
call math_invert(A_inv, err, A)
|
||||
temp33_cmplx = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pReal)
|
||||
temp33_cmplx = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pREAL)
|
||||
#ifndef __INTEL_COMPILER
|
||||
do concurrent(l=1:3, m=1:3, n=1:3, o=1:3)
|
||||
gamma_hat(l,m,n,o,i,k,j-cells2Offset) = temp33_cmplx(l,n) * xiDyad_cmplx(o,m)
|
||||
|
@ -404,12 +404,12 @@ end subroutine utilities_updateGamma
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function utilities_GammaConvolution(field, fieldAim) result(gammaField)
|
||||
|
||||
real(pReal), intent(in), dimension(3,3,cells(1),cells(2),cells3) :: field
|
||||
real(pReal), intent(in), dimension(3,3) :: fieldAim !< desired average value of the field after convolution
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3) :: gammaField
|
||||
real(pREAL), intent(in), dimension(3,3,cells(1),cells(2),cells3) :: field
|
||||
real(pREAL), intent(in), dimension(3,3) :: fieldAim !< desired average value of the field after convolution
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3) :: gammaField
|
||||
|
||||
complex(pReal), dimension(3,3) :: temp33_cmplx, xiDyad_cmplx
|
||||
real(pReal), dimension(6,6) :: A, A_inv
|
||||
complex(pREAL), dimension(3,3) :: temp33_cmplx, xiDyad_cmplx
|
||||
real(pREAL), dimension(6,6) :: A, A_inv
|
||||
integer :: &
|
||||
i, j, k, &
|
||||
l, m, n, o
|
||||
|
@ -419,7 +419,7 @@ function utilities_GammaConvolution(field, fieldAim) result(gammaField)
|
|||
print'(/,1x,a)', '... doing gamma convolution ...............................................'
|
||||
flush(IO_STDOUT)
|
||||
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pREAL
|
||||
tensorField_real(1:3,1:3,1:cells(1), 1:cells(2),1:cells3) = field
|
||||
call fftw_mpi_execute_dft_r2c(planTensorForth,tensorField_real,tensorField_fourier)
|
||||
|
||||
|
@ -432,19 +432,19 @@ function utilities_GammaConvolution(field, fieldAim) result(gammaField)
|
|||
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,k,j))*xi1st(m,i,k,j)
|
||||
end do
|
||||
do concurrent(l = 1:3, m = 1:3)
|
||||
temp33_cmplx(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal,pReal)*xiDyad_cmplx)
|
||||
temp33_cmplx(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pREAL,pREAL)*xiDyad_cmplx)
|
||||
end do
|
||||
#else
|
||||
forall(l = 1:3, m = 1:3) &
|
||||
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,k,j))*xi1st(m,i,k,j)
|
||||
forall(l = 1:3, m = 1:3) &
|
||||
temp33_cmplx(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal,pReal)*xiDyad_cmplx)
|
||||
temp33_cmplx(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pREAL,pREAL)*xiDyad_cmplx)
|
||||
#endif
|
||||
A(1:3,1:3) = temp33_cmplx%re; A(4:6,4:6) = temp33_cmplx%re
|
||||
A(1:3,4:6) = temp33_cmplx%im; A(4:6,1:3) = -temp33_cmplx%im
|
||||
if (abs(math_det33(A(1:3,1:3))) > 1.e-16_pReal) then
|
||||
if (abs(math_det33(A(1:3,1:3))) > 1.e-16_pREAL) then
|
||||
call math_invert(A_inv, err, A)
|
||||
temp33_cmplx = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pReal)
|
||||
temp33_cmplx = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pREAL)
|
||||
#ifndef __INTEL_COMPILER
|
||||
do concurrent(l=1:3, m=1:3, n=1:3, o=1:3)
|
||||
gamma_hat(l,m,n,o,1,1,1) = temp33_cmplx(l,n)*xiDyad_cmplx(o,m)
|
||||
|
@ -460,7 +460,7 @@ function utilities_GammaConvolution(field, fieldAim) result(gammaField)
|
|||
#endif
|
||||
tensorField_fourier(1:3,1:3,i,k,j) = temp33_cmplx
|
||||
else
|
||||
tensorField_fourier(1:3,1:3,i,k,j) = cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
tensorField_fourier(1:3,1:3,i,k,j) = cmplx(0.0_pREAL,0.0_pREAL,pREAL)
|
||||
end if
|
||||
end if
|
||||
end do; end do; end do
|
||||
|
@ -481,7 +481,7 @@ function utilities_GammaConvolution(field, fieldAim) result(gammaField)
|
|||
!$OMP END PARALLEL DO
|
||||
end if memoryEfficient
|
||||
|
||||
if (cells3Offset == 0) tensorField_fourier(1:3,1:3,1,1,1) = cmplx(fieldAim,0.0_pReal,pReal)
|
||||
if (cells3Offset == 0) tensorField_fourier(1:3,1:3,1,1,1) = cmplx(fieldAim,0.0_pREAL,pREAL)
|
||||
|
||||
call fftw_mpi_execute_dft_c2r(planTensorBack,tensorField_fourier,tensorField_real)
|
||||
gammaField = tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3)
|
||||
|
@ -494,24 +494,24 @@ end function utilities_GammaConvolution
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function utilities_GreenConvolution(field, D_ref, mu_ref, Delta_t) result(greenField)
|
||||
|
||||
real(pReal), intent(in), dimension(cells(1),cells(2),cells3) :: field
|
||||
real(pReal), dimension(3,3), intent(in) :: D_ref
|
||||
real(pReal), intent(in) :: mu_ref, Delta_t
|
||||
real(pReal), dimension(cells(1),cells(2),cells3) :: greenField
|
||||
real(pREAL), intent(in), dimension(cells(1),cells(2),cells3) :: field
|
||||
real(pREAL), dimension(3,3), intent(in) :: D_ref
|
||||
real(pREAL), intent(in) :: mu_ref, Delta_t
|
||||
real(pREAL), dimension(cells(1),cells(2),cells3) :: greenField
|
||||
|
||||
complex(pReal) :: GreenOp_hat
|
||||
complex(pREAL) :: GreenOp_hat
|
||||
integer :: i, j, k
|
||||
|
||||
|
||||
scalarField_real(cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pReal
|
||||
scalarField_real(cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pREAL
|
||||
scalarField_real(1:cells(1), 1:cells(2),1:cells3) = field
|
||||
call fftw_mpi_execute_dft_r2c(planScalarForth,scalarField_real,scalarField_fourier)
|
||||
|
||||
!$OMP PARALLEL DO PRIVATE(GreenOp_hat)
|
||||
do j = 1, cells2; do k = 1, cells(3); do i = 1, cells1Red
|
||||
GreenOp_hat = cmplx(wgt,0.0_pReal,pReal) &
|
||||
/ (cmplx(mu_ref,0.0_pReal,pReal) + cmplx(Delta_t,0.0_pReal,pReal) &
|
||||
* sum(conjg(xi1st(1:3,i,k,j))* matmul(cmplx(D_ref,0.0_pReal,pReal),xi1st(1:3,i,k,j))))
|
||||
GreenOp_hat = cmplx(wgt,0.0_pREAL,pREAL) &
|
||||
/ (cmplx(mu_ref,0.0_pREAL,pREAL) + cmplx(Delta_t,0.0_pREAL,pREAL) &
|
||||
* sum(conjg(xi1st(1:3,i,k,j))* matmul(cmplx(D_ref,0.0_pREAL,pREAL),xi1st(1:3,i,k,j))))
|
||||
scalarField_fourier(i,k,j) = scalarField_fourier(i,k,j)*GreenOp_hat
|
||||
end do; end do; end do
|
||||
!$OMP END PARALLEL DO
|
||||
|
@ -525,28 +525,28 @@ end function utilities_GreenConvolution
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Calculate root mean square of divergence.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function utilities_divergenceRMS(tensorField)
|
||||
real(pREAL) function utilities_divergenceRMS(tensorField)
|
||||
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: tensorField
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: tensorField
|
||||
|
||||
integer :: i, j, k
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
complex(pReal), dimension(3) :: rescaledGeom
|
||||
complex(pREAL), dimension(3) :: rescaledGeom
|
||||
|
||||
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pREAL
|
||||
tensorField_real(1:3,1:3,1:cells(1), 1:cells(2),1:cells3) = tensorField
|
||||
call fftw_mpi_execute_dft_r2c(planTensorForth,tensorField_real,tensorField_fourier)
|
||||
|
||||
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal,pReal)
|
||||
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pREAL,pREAL)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculating RMS divergence criterion in Fourier space
|
||||
utilities_divergenceRMS = 0.0_pReal
|
||||
utilities_divergenceRMS = 0.0_pREAL
|
||||
do j = 1, cells2; do k = 1, cells(3)
|
||||
do i = 2, cells1Red -1 ! Has somewhere a conj. complex counterpart. Therefore count it twice.
|
||||
utilities_divergenceRMS = utilities_divergenceRMS &
|
||||
+ 2.0_pReal*(sum (real(matmul(tensorField_fourier(1:3,1:3,i,k,j), & ! (sqrt(real(a)**2 + aimag(a)**2))**2 = real(a)**2 + aimag(a)**2, i.e. do not take square root and square again
|
||||
+ 2.0_pREAL*(sum (real(matmul(tensorField_fourier(1:3,1:3,i,k,j), & ! (sqrt(real(a)**2 + aimag(a)**2))**2 = real(a)**2 + aimag(a)**2, i.e. do not take square root and square again
|
||||
conjg(-xi1st(1:3,i,k,j))*rescaledGeom))**2) & ! --> sum squared L_2 norm of vector
|
||||
+sum(aimag(matmul(tensorField_fourier(1:3,1:3,i,k,j),&
|
||||
conjg(-xi1st(1:3,i,k,j))*rescaledGeom))**2))
|
||||
|
@ -564,7 +564,7 @@ real(pReal) function utilities_divergenceRMS(tensorField)
|
|||
call MPI_Allreduce(MPI_IN_PLACE,utilities_divergenceRMS,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
utilities_divergenceRMS = sqrt(utilities_divergenceRMS) * wgt ! RMS in real space calculated with Parsevals theorem from Fourier space
|
||||
if (cells(1) == 1) utilities_divergenceRMS = utilities_divergenceRMS * 0.5_pReal ! counted twice in case of cells(1) == 1
|
||||
if (cells(1) == 1) utilities_divergenceRMS = utilities_divergenceRMS * 0.5_pREAL ! counted twice in case of cells(1) == 1
|
||||
|
||||
end function utilities_divergenceRMS
|
||||
|
||||
|
@ -572,25 +572,25 @@ end function utilities_divergenceRMS
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Calculate root mean square of curl.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function utilities_curlRMS(tensorField)
|
||||
real(pREAL) function utilities_curlRMS(tensorField)
|
||||
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: tensorField
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: tensorField
|
||||
|
||||
integer :: i, j, k, l
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
complex(pReal), dimension(3,3) :: curl_fourier
|
||||
complex(pReal), dimension(3) :: rescaledGeom
|
||||
complex(pREAL), dimension(3,3) :: curl_fourier
|
||||
complex(pREAL), dimension(3) :: rescaledGeom
|
||||
|
||||
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pREAL
|
||||
tensorField_real(1:3,1:3,1:cells(1), 1:cells(2),1:cells3) = tensorField
|
||||
call fftw_mpi_execute_dft_r2c(planTensorForth,tensorField_real,tensorField_fourier)
|
||||
|
||||
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal,pReal)
|
||||
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pREAL,pREAL)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculating max curl criterion in Fourier space
|
||||
utilities_curlRMS = 0.0_pReal
|
||||
utilities_curlRMS = 0.0_pREAL
|
||||
|
||||
do j = 1, cells2; do k = 1, cells(3);
|
||||
do i = 2, cells1Red - 1
|
||||
|
@ -603,7 +603,7 @@ real(pReal) function utilities_curlRMS(tensorField)
|
|||
-tensorField_fourier(l,1,i,k,j)*xi1st(2,i,k,j)*rescaledGeom(2))
|
||||
end do
|
||||
utilities_curlRMS = utilities_curlRMS &
|
||||
+2.0_pReal*sum(curl_fourier%re**2+curl_fourier%im**2) ! Has somewhere a conj. complex counterpart. Therefore count it twice.
|
||||
+2.0_pREAL*sum(curl_fourier%re**2+curl_fourier%im**2) ! Has somewhere a conj. complex counterpart. Therefore count it twice.
|
||||
end do
|
||||
do l = 1, 3
|
||||
curl_fourier = (+tensorField_fourier(l,3,1,k,j)*xi1st(2,1,k,j)*rescaledGeom(2) &
|
||||
|
@ -630,7 +630,7 @@ real(pReal) function utilities_curlRMS(tensorField)
|
|||
call MPI_Allreduce(MPI_IN_PLACE,utilities_curlRMS,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
utilities_curlRMS = sqrt(utilities_curlRMS) * wgt ! RMS in real space calculated with Parsevals theorem from Fourier space
|
||||
if (cells(1) == 1) utilities_curlRMS = utilities_curlRMS * 0.5_pReal ! counted twice in case of cells(1) == 1
|
||||
if (cells(1) == 1) utilities_curlRMS = utilities_curlRMS * 0.5_pREAL ! counted twice in case of cells(1) == 1
|
||||
|
||||
end function utilities_curlRMS
|
||||
|
||||
|
@ -640,17 +640,17 @@ end function utilities_curlRMS
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: utilities_maskedCompliance !< masked compliance
|
||||
real(pReal), intent(in), dimension(3,3,3,3) :: C !< current average stiffness
|
||||
real(pREAL), dimension(3,3,3,3) :: utilities_maskedCompliance !< masked compliance
|
||||
real(pREAL), intent(in), dimension(3,3,3,3) :: C !< current average stiffness
|
||||
type(tRotation), intent(in) :: rot_BC !< rotation of load frame
|
||||
logical, intent(in), dimension(3,3) :: mask_stress !< mask of stress BC
|
||||
|
||||
integer :: i, j
|
||||
logical, dimension(9) :: mask_stressVector
|
||||
logical, dimension(9,9) :: mask
|
||||
real(pReal), dimension(9,9) :: temp99_real
|
||||
real(pREAL), dimension(9,9) :: temp99_real
|
||||
integer :: size_reduced = 0
|
||||
real(pReal), dimension(:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:), allocatable :: &
|
||||
s_reduced, & !< reduced compliance matrix (depending on number of stress BC)
|
||||
c_reduced, & !< reduced stiffness (depending on number of stress BC)
|
||||
sTimesC !< temp variable to check inversion
|
||||
|
@ -674,7 +674,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! check if inversion was successful
|
||||
sTimesC = matmul(c_reduced,s_reduced)
|
||||
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_eye(size_reduced),1.0e-12_pReal))
|
||||
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_eye(size_reduced),1.0e-12_pREAL))
|
||||
if (errmatinv) then
|
||||
write(formatString, '(i2)') size_reduced
|
||||
formatString = '(/,1x,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||
|
@ -682,9 +682,9 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
print trim(formatString), 'S (load) ', transpose(s_reduced)
|
||||
if (errmatinv) error stop 'matrix inversion error'
|
||||
end if
|
||||
temp99_real = reshape(unpack(reshape(s_reduced,[size_reduced**2]),reshape(mask,[81]),0.0_pReal),[9,9])
|
||||
temp99_real = reshape(unpack(reshape(s_reduced,[size_reduced**2]),reshape(mask,[81]),0.0_pREAL),[9,9])
|
||||
else
|
||||
temp99_real = 0.0_pReal
|
||||
temp99_real = 0.0_pREAL
|
||||
end if
|
||||
|
||||
utilities_maskedCompliance = math_99to3333(temp99_Real)
|
||||
|
@ -697,13 +697,13 @@ end function utilities_maskedCompliance
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function utilities_scalarGradient(field) result(grad)
|
||||
|
||||
real(pReal), intent(in), dimension( cells(1),cells(2),cells3) :: field
|
||||
real(pReal), dimension(3,cells(1),cells(2),cells3) :: grad
|
||||
real(pREAL), intent(in), dimension( cells(1),cells(2),cells3) :: field
|
||||
real(pREAL), dimension(3,cells(1),cells(2),cells3) :: grad
|
||||
|
||||
integer :: i, j, k
|
||||
|
||||
|
||||
scalarField_real(cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pReal
|
||||
scalarField_real(cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pREAL
|
||||
scalarField_real(1:cells(1), 1:cells(2),1:cells3) = field
|
||||
call fftw_mpi_execute_dft_r2c(planScalarForth,scalarField_real,scalarField_fourier)
|
||||
do j = 1, cells2; do k = 1, cells(3); do i = 1,cells1Red
|
||||
|
@ -720,11 +720,11 @@ end function utilities_scalarGradient
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function utilities_vectorDivergence(field) result(div)
|
||||
|
||||
real(pReal), intent(in), dimension(3,cells(1),cells(2),cells3) :: field
|
||||
real(pReal), dimension( cells(1),cells(2),cells3) :: div
|
||||
real(pREAL), intent(in), dimension(3,cells(1),cells(2),cells3) :: field
|
||||
real(pREAL), dimension( cells(1),cells(2),cells3) :: div
|
||||
|
||||
|
||||
vectorField_real(1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pReal
|
||||
vectorField_real(1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pREAL
|
||||
vectorField_real(1:3,1:cells(1), 1:cells(2),1:cells3) = field
|
||||
call fftw_mpi_execute_dft_r2c(planVectorForth,vectorField_real,vectorField_fourier)
|
||||
scalarField_fourier(1:cells1Red,1:cells(3),1:cells2) = sum(vectorField_fourier(1:3,1:cells1Red,1:cells(3),1:cells2) &
|
||||
|
@ -741,19 +741,19 @@ end function utilities_vectorDivergence
|
|||
subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
||||
F,Delta_t,rotation_BC)
|
||||
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness
|
||||
real(pReal), intent(out), dimension(3,3) :: P_av !< average PK stress
|
||||
real(pReal), intent(out), dimension(3,3,cells(1),cells(2),cells3) :: P !< PK stress
|
||||
real(pReal), intent(in), dimension(3,3,cells(1),cells(2),cells3) :: F !< deformation gradient target
|
||||
real(pReal), intent(in) :: Delta_t !< loading time
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness
|
||||
real(pREAL), intent(out), dimension(3,3) :: P_av !< average PK stress
|
||||
real(pREAL), intent(out), dimension(3,3,cells(1),cells(2),cells3) :: P !< PK stress
|
||||
real(pREAL), intent(in), dimension(3,3,cells(1),cells(2),cells3) :: F !< deformation gradient target
|
||||
real(pREAL), intent(in) :: Delta_t !< loading time
|
||||
type(tRotation), intent(in), optional :: rotation_BC !< rotation of load frame
|
||||
|
||||
|
||||
integer :: i
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
real(pReal), dimension(3,3,3,3) :: dPdF_max, dPdF_min
|
||||
real(pReal) :: dPdF_norm_max, dPdF_norm_min
|
||||
real(pReal), dimension(2) :: valueAndRank !< pair of min/max norm of dPdF to synchronize min/max of dPdF
|
||||
real(pREAL), dimension(3,3,3,3) :: dPdF_max, dPdF_min
|
||||
real(pREAL) :: dPdF_norm_max, dPdF_norm_min
|
||||
real(pREAL), dimension(2) :: valueAndRank !< pair of min/max norm of dPdF to synchronize min/max of dPdF
|
||||
|
||||
print'(/,1x,a)', '... evaluating constitutive response ......................................'
|
||||
flush(IO_STDOUT)
|
||||
|
@ -771,19 +771,19 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
|||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
if (present(rotation_BC)) then
|
||||
if (any(dNeq(rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
|
||||
if (any(dNeq(rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pREAL)))) &
|
||||
print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
|
||||
'Piola--Kirchhoff stress (lab) / MPa =', transpose(P_av)*1.e-6_pReal
|
||||
'Piola--Kirchhoff stress (lab) / MPa =', transpose(P_av)*1.e-6_pREAL
|
||||
P_av = rotation_BC%rotate(P_av)
|
||||
end if
|
||||
print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
|
||||
'Piola--Kirchhoff stress / MPa =', transpose(P_av)*1.e-6_pReal
|
||||
'Piola--Kirchhoff stress / MPa =', transpose(P_av)*1.e-6_pREAL
|
||||
flush(IO_STDOUT)
|
||||
|
||||
dPdF_max = 0.0_pReal
|
||||
dPdF_norm_max = 0.0_pReal
|
||||
dPdF_min = huge(1.0_pReal)
|
||||
dPdF_norm_min = huge(1.0_pReal)
|
||||
dPdF_max = 0.0_pREAL
|
||||
dPdF_norm_max = 0.0_pREAL
|
||||
dPdF_min = huge(1.0_pREAL)
|
||||
dPdF_norm_min = huge(1.0_pREAL)
|
||||
do i = 1, product(cells(1:2))*cells3
|
||||
if (dPdF_norm_max < sum(homogenization_dPdF(1:3,1:3,1:3,1:3,i)**2)) then
|
||||
dPdF_max = homogenization_dPdF(1:3,1:3,1:3,1:3,i)
|
||||
|
@ -795,19 +795,19 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
|||
end if
|
||||
end do
|
||||
|
||||
valueAndRank = [dPdF_norm_max,real(worldrank,pReal)]
|
||||
valueAndRank = [dPdF_norm_max,real(worldrank,pREAL)]
|
||||
call MPI_Allreduce(MPI_IN_PLACE,valueAndRank,1_MPI_INTEGER_KIND,MPI_2DOUBLE_PRECISION,MPI_MAXLOC,MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
call MPI_Bcast(dPdF_max,81_MPI_INTEGER_KIND,MPI_DOUBLE,int(valueAndRank(2),MPI_INTEGER_KIND),MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
|
||||
valueAndRank = [dPdF_norm_min,real(worldrank,pReal)]
|
||||
valueAndRank = [dPdF_norm_min,real(worldrank,pREAL)]
|
||||
call MPI_Allreduce(MPI_IN_PLACE,valueAndRank,1_MPI_INTEGER_KIND,MPI_2DOUBLE_PRECISION,MPI_MINLOC,MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
call MPI_Bcast(dPdF_min,81_MPI_INTEGER_KIND,MPI_DOUBLE,int(valueAndRank(2),MPI_INTEGER_KIND),MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
|
||||
C_minmaxAvg = 0.5_pReal*(dPdF_max + dPdF_min)
|
||||
C_minmaxAvg = 0.5_pREAL*(dPdF_max + dPdF_min)
|
||||
|
||||
C_volAvg = sum(homogenization_dPdF,dim=5)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
|
||||
|
@ -823,16 +823,16 @@ end subroutine utilities_constitutiveResponse
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function utilities_calculateRate(heterogeneous,field0,field,dt,avRate)
|
||||
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
avRate !< homogeneous addon
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
dt !< Delta_t between field0 and field
|
||||
logical, intent(in) :: &
|
||||
heterogeneous !< calculate field of rates
|
||||
real(pReal), intent(in), dimension(3,3,cells(1),cells(2),cells3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3,cells(1),cells(2),cells3) :: &
|
||||
field0, & !< data of previous step
|
||||
field !< data of current step
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3) :: &
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3) :: &
|
||||
utilities_calculateRate
|
||||
|
||||
|
||||
|
@ -849,17 +849,17 @@ end function utilities_calculateRate
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function utilities_forwardField(Delta_t,field_lastInc,rate,aim)
|
||||
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
Delta_t !< Delta_t of current step
|
||||
real(pReal), intent(in), dimension(3,3,cells(1),cells(2),cells3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3,cells(1),cells(2),cells3) :: &
|
||||
field_lastInc, & !< initial field
|
||||
rate !< rate by which to forward
|
||||
real(pReal), intent(in), optional, dimension(3,3) :: &
|
||||
real(pREAL), intent(in), optional, dimension(3,3) :: &
|
||||
aim !< average field value aim
|
||||
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3) :: &
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3) :: &
|
||||
utilities_forwardField
|
||||
real(pReal), dimension(3,3) :: fieldDiff !< <a + adot*t> - aim
|
||||
real(pREAL), dimension(3,3) :: fieldDiff !< <a + adot*t> - aim
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
|
||||
|
||||
|
@ -885,42 +885,42 @@ pure function utilities_getFreqDerivative(k_s)
|
|||
|
||||
integer, intent(in), dimension(3) :: k_s !< indices of frequency
|
||||
|
||||
complex(pReal), dimension(3) :: utilities_getFreqDerivative
|
||||
complex(pREAL), dimension(3) :: utilities_getFreqDerivative
|
||||
|
||||
|
||||
select case (spectral_derivative_ID)
|
||||
case (DERIVATIVE_CONTINUOUS_ID)
|
||||
utilities_getFreqDerivative = cmplx(0.0_pReal, TAU*real(k_s,pReal)/geomSize,pReal)
|
||||
utilities_getFreqDerivative = cmplx(0.0_pREAL, TAU*real(k_s,pREAL)/geomSize,pREAL)
|
||||
|
||||
case (DERIVATIVE_CENTRAL_DIFF_ID)
|
||||
utilities_getFreqDerivative = cmplx(0.0_pReal, sin(TAU*real(k_s,pReal)/real(cells,pReal)), pReal)/ &
|
||||
cmplx(2.0_pReal*geomSize/real(cells,pReal), 0.0_pReal, pReal)
|
||||
utilities_getFreqDerivative = cmplx(0.0_pREAL, sin(TAU*real(k_s,pREAL)/real(cells,pREAL)), pREAL)/ &
|
||||
cmplx(2.0_pREAL*geomSize/real(cells,pREAL), 0.0_pREAL, pREAL)
|
||||
|
||||
case (DERIVATIVE_FWBW_DIFF_ID)
|
||||
utilities_getFreqDerivative(1) = &
|
||||
cmplx(cos(TAU*real(k_s(1),pReal)/real(cells(1),pReal)) - 1.0_pReal, &
|
||||
sin(TAU*real(k_s(1),pReal)/real(cells(1),pReal)), pReal)* &
|
||||
cmplx(cos(TAU*real(k_s(2),pReal)/real(cells(2),pReal)) + 1.0_pReal, &
|
||||
sin(TAU*real(k_s(2),pReal)/real(cells(2),pReal)), pReal)* &
|
||||
cmplx(cos(TAU*real(k_s(3),pReal)/real(cells(3),pReal)) + 1.0_pReal, &
|
||||
sin(TAU*real(k_s(3),pReal)/real(cells(3),pReal)), pReal)/ &
|
||||
cmplx(4.0_pReal*geomSize(1)/real(cells(1),pReal), 0.0_pReal, pReal)
|
||||
cmplx(cos(TAU*real(k_s(1),pREAL)/real(cells(1),pREAL)) - 1.0_pREAL, &
|
||||
sin(TAU*real(k_s(1),pREAL)/real(cells(1),pREAL)), pREAL)* &
|
||||
cmplx(cos(TAU*real(k_s(2),pREAL)/real(cells(2),pREAL)) + 1.0_pREAL, &
|
||||
sin(TAU*real(k_s(2),pREAL)/real(cells(2),pREAL)), pREAL)* &
|
||||
cmplx(cos(TAU*real(k_s(3),pREAL)/real(cells(3),pREAL)) + 1.0_pREAL, &
|
||||
sin(TAU*real(k_s(3),pREAL)/real(cells(3),pREAL)), pREAL)/ &
|
||||
cmplx(4.0_pREAL*geomSize(1)/real(cells(1),pREAL), 0.0_pREAL, pREAL)
|
||||
utilities_getFreqDerivative(2) = &
|
||||
cmplx(cos(TAU*real(k_s(1),pReal)/real(cells(1),pReal)) + 1.0_pReal, &
|
||||
sin(TAU*real(k_s(1),pReal)/real(cells(1),pReal)), pReal)* &
|
||||
cmplx(cos(TAU*real(k_s(2),pReal)/real(cells(2),pReal)) - 1.0_pReal, &
|
||||
sin(TAU*real(k_s(2),pReal)/real(cells(2),pReal)), pReal)* &
|
||||
cmplx(cos(TAU*real(k_s(3),pReal)/real(cells(3),pReal)) + 1.0_pReal, &
|
||||
sin(TAU*real(k_s(3),pReal)/real(cells(3),pReal)), pReal)/ &
|
||||
cmplx(4.0_pReal*geomSize(2)/real(cells(2),pReal), 0.0_pReal, pReal)
|
||||
cmplx(cos(TAU*real(k_s(1),pREAL)/real(cells(1),pREAL)) + 1.0_pREAL, &
|
||||
sin(TAU*real(k_s(1),pREAL)/real(cells(1),pREAL)), pREAL)* &
|
||||
cmplx(cos(TAU*real(k_s(2),pREAL)/real(cells(2),pREAL)) - 1.0_pREAL, &
|
||||
sin(TAU*real(k_s(2),pREAL)/real(cells(2),pREAL)), pREAL)* &
|
||||
cmplx(cos(TAU*real(k_s(3),pREAL)/real(cells(3),pREAL)) + 1.0_pREAL, &
|
||||
sin(TAU*real(k_s(3),pREAL)/real(cells(3),pREAL)), pREAL)/ &
|
||||
cmplx(4.0_pREAL*geomSize(2)/real(cells(2),pREAL), 0.0_pREAL, pREAL)
|
||||
utilities_getFreqDerivative(3) = &
|
||||
cmplx(cos(TAU*real(k_s(1),pReal)/real(cells(1),pReal)) + 1.0_pReal, &
|
||||
sin(TAU*real(k_s(1),pReal)/real(cells(1),pReal)), pReal)* &
|
||||
cmplx(cos(TAU*real(k_s(2),pReal)/real(cells(2),pReal)) + 1.0_pReal, &
|
||||
sin(TAU*real(k_s(2),pReal)/real(cells(2),pReal)), pReal)* &
|
||||
cmplx(cos(TAU*real(k_s(3),pReal)/real(cells(3),pReal)) - 1.0_pReal, &
|
||||
sin(TAU*real(k_s(3),pReal)/real(cells(3),pReal)), pReal)/ &
|
||||
cmplx(4.0_pReal*geomSize(3)/real(cells(3),pReal), 0.0_pReal, pReal)
|
||||
cmplx(cos(TAU*real(k_s(1),pREAL)/real(cells(1),pREAL)) + 1.0_pREAL, &
|
||||
sin(TAU*real(k_s(1),pREAL)/real(cells(1),pREAL)), pREAL)* &
|
||||
cmplx(cos(TAU*real(k_s(2),pREAL)/real(cells(2),pREAL)) + 1.0_pREAL, &
|
||||
sin(TAU*real(k_s(2),pREAL)/real(cells(2),pREAL)), pREAL)* &
|
||||
cmplx(cos(TAU*real(k_s(3),pREAL)/real(cells(3),pREAL)) - 1.0_pREAL, &
|
||||
sin(TAU*real(k_s(3),pREAL)/real(cells(3),pREAL)), pREAL)/ &
|
||||
cmplx(4.0_pREAL*geomSize(3)/real(cells(3),pREAL), 0.0_pREAL, pREAL)
|
||||
end select
|
||||
|
||||
end function utilities_getFreqDerivative
|
||||
|
@ -932,11 +932,11 @@ end function utilities_getFreqDerivative
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_updateCoords(F)
|
||||
|
||||
real(pReal), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: F
|
||||
real(pREAL), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: F
|
||||
|
||||
real(pReal), dimension(3, cells(1),cells(2),cells3) :: x_p !< Point/cell center coordinates
|
||||
real(pReal), dimension(3, cells(1),cells(2),0:cells3+1) :: u_tilde_p_padded !< Fluctuation of cell center displacement (padded along z for MPI)
|
||||
real(pReal), dimension(3, cells(1)+1,cells(2)+1,cells3+1) :: x_n !< Node coordinates
|
||||
real(pREAL), dimension(3, cells(1),cells(2),cells3) :: x_p !< Point/cell center coordinates
|
||||
real(pREAL), dimension(3, cells(1),cells(2),0:cells3+1) :: u_tilde_p_padded !< Fluctuation of cell center displacement (padded along z for MPI)
|
||||
real(pREAL), dimension(3, cells(1)+1,cells(2)+1,cells3+1) :: x_n !< Node coordinates
|
||||
integer :: &
|
||||
i,j,k,n, &
|
||||
c
|
||||
|
@ -950,8 +950,8 @@ subroutine utilities_updateCoords(F)
|
|||
integer, dimension(4) :: request
|
||||
integer, dimension(MPI_STATUS_SIZE,4) :: status
|
||||
#endif
|
||||
real(pReal), dimension(3) :: step
|
||||
real(pReal), dimension(3,3) :: Favg
|
||||
real(pREAL), dimension(3) :: step
|
||||
real(pREAL), dimension(3,3) :: Favg
|
||||
integer, dimension(3) :: me
|
||||
integer, dimension(3,8) :: &
|
||||
neighbor = reshape([ &
|
||||
|
@ -965,10 +965,10 @@ subroutine utilities_updateCoords(F)
|
|||
0, 1, 1 ], [3,8])
|
||||
|
||||
|
||||
step = geomSize/real(cells, pReal)
|
||||
step = geomSize/real(cells, pREAL)
|
||||
|
||||
tensorField_real(1:3,1:3,1:cells(1), 1:cells(2),1:cells3) = F
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pREAL
|
||||
call fftw_mpi_execute_dft_r2c(planTensorForth,tensorField_real,tensorField_fourier)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -985,7 +985,7 @@ subroutine utilities_updateCoords(F)
|
|||
vectorField_fourier(1:3,i,k,j) = matmul(tensorField_fourier(1:3,1:3,i,k,j),xi2nd(1:3,i,k,j)) &
|
||||
/ sum(conjg(-xi2nd(1:3,i,k,j))*xi2nd(1:3,i,k,j))
|
||||
else
|
||||
vectorField_fourier(1:3,i,k,j) = cmplx(0.0,0.0,pReal)
|
||||
vectorField_fourier(1:3,i,k,j) = cmplx(0.0,0.0,pREAL)
|
||||
end if
|
||||
end do; end do; end do
|
||||
!$OMP END PARALLEL DO
|
||||
|
@ -1021,13 +1021,13 @@ subroutine utilities_updateCoords(F)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate nodal positions
|
||||
x_n = 0.0_pReal
|
||||
x_n = 0.0_pREAL
|
||||
do j = 0,cells(2); do k = 0,cells3; do i = 0,cells(1)
|
||||
x_n(1:3,i+1,j+1,k+1) = matmul(Favg,step*(real([i,j,k+cells3Offset],pReal)))
|
||||
x_n(1:3,i+1,j+1,k+1) = matmul(Favg,step*(real([i,j,k+cells3Offset],pREAL)))
|
||||
averageFluct: do n = 1,8
|
||||
me = [i+neighbor(1,n),j+neighbor(2,n),k+neighbor(3,n)]
|
||||
x_n(1:3,i+1,j+1,k+1) = x_n(1:3,i+1,j+1,k+1) &
|
||||
+ u_tilde_p_padded(1:3,modulo(me(1)-1,cells(1))+1,modulo(me(2)-1,cells(2))+1,me(3))*0.125_pReal
|
||||
+ u_tilde_p_padded(1:3,modulo(me(1)-1,cells(1))+1,modulo(me(2)-1,cells(2))+1,me(3))*0.125_pREAL
|
||||
end do averageFluct
|
||||
end do; end do; end do
|
||||
|
||||
|
@ -1035,7 +1035,7 @@ subroutine utilities_updateCoords(F)
|
|||
! calculate cell center/point positions
|
||||
do k = 1,cells3; do j = 1,cells(2); do i = 1,cells(1)
|
||||
x_p(1:3,i,j,k) = u_tilde_p_padded(1:3,i,j,k) &
|
||||
+ matmul(Favg,step*(real([i,j,k+cells3Offset],pReal)-0.5_pReal))
|
||||
+ matmul(Favg,step*(real([i,j,k+cells3Offset],pREAL)-0.5_pREAL))
|
||||
end do; end do; end do
|
||||
|
||||
call discretization_setNodeCoords(reshape(x_n,[3,(cells(1)+1)*(cells(2)+1)*(cells3+1)]))
|
||||
|
@ -1049,62 +1049,62 @@ end subroutine utilities_updateCoords
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine selfTest()
|
||||
|
||||
real(pReal), allocatable, dimension(:,:,:,:,:) :: tensorField_real_
|
||||
real(pReal), allocatable, dimension(:,:,:,:) :: vectorField_real_
|
||||
real(pReal), allocatable, dimension(:,:,:) :: scalarField_real_
|
||||
real(pReal), dimension(3,3) :: tensorSum
|
||||
real(pReal), dimension(3) :: vectorSum
|
||||
real(pReal) :: scalarSum
|
||||
real(pReal), dimension(3,3) :: r
|
||||
real(pREAL), allocatable, dimension(:,:,:,:,:) :: tensorField_real_
|
||||
real(pREAL), allocatable, dimension(:,:,:,:) :: vectorField_real_
|
||||
real(pREAL), allocatable, dimension(:,:,:) :: scalarField_real_
|
||||
real(pREAL), dimension(3,3) :: tensorSum
|
||||
real(pREAL), dimension(3) :: vectorSum
|
||||
real(pREAL) :: scalarSum
|
||||
real(pREAL), dimension(3,3) :: r
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
|
||||
|
||||
call random_number(tensorField_real)
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pREAL
|
||||
tensorField_real_ = tensorField_real
|
||||
call fftw_mpi_execute_dft_r2c(planTensorForth,tensorField_real,tensorField_fourier)
|
||||
call MPI_Allreduce(sum(sum(sum(tensorField_real_,dim=5),dim=4),dim=3),tensorSum,9_MPI_INTEGER_KIND, &
|
||||
MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
if (worldrank==0) then
|
||||
if (any(dNeq(tensorSum/tensorField_fourier(:,:,1,1,1)%re,1.0_pReal,1.0e-12_pReal))) &
|
||||
if (any(dNeq(tensorSum/tensorField_fourier(:,:,1,1,1)%re,1.0_pREAL,1.0e-12_pREAL))) &
|
||||
error stop 'mismatch avg tensorField FFT <-> real'
|
||||
end if
|
||||
call fftw_mpi_execute_dft_c2r(planTensorBack,tensorField_fourier,tensorField_real)
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pReal
|
||||
if (maxval(abs(tensorField_real_ - tensorField_real*wgt))>5.0e-15_pReal) &
|
||||
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pREAL
|
||||
if (maxval(abs(tensorField_real_ - tensorField_real*wgt))>5.0e-15_pREAL) &
|
||||
error stop 'mismatch tensorField FFT/invFFT <-> real'
|
||||
|
||||
call random_number(vectorField_real)
|
||||
vectorField_real(1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pReal
|
||||
vectorField_real(1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pREAL
|
||||
vectorField_real_ = vectorField_real
|
||||
call fftw_mpi_execute_dft_r2c(planVectorForth,vectorField_real,vectorField_fourier)
|
||||
call MPI_Allreduce(sum(sum(sum(vectorField_real_,dim=4),dim=3),dim=2),vectorSum,3_MPI_INTEGER_KIND, &
|
||||
MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
if (worldrank==0) then
|
||||
if (any(dNeq(vectorSum/vectorField_fourier(:,1,1,1)%re,1.0_pReal,1.0e-12_pReal))) &
|
||||
if (any(dNeq(vectorSum/vectorField_fourier(:,1,1,1)%re,1.0_pREAL,1.0e-12_pREAL))) &
|
||||
error stop 'mismatch avg vectorField FFT <-> real'
|
||||
end if
|
||||
call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
|
||||
vectorField_real(1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pReal
|
||||
if (maxval(abs(vectorField_real_ - vectorField_real*wgt))>5.0e-15_pReal) &
|
||||
vectorField_real(1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pREAL
|
||||
if (maxval(abs(vectorField_real_ - vectorField_real*wgt))>5.0e-15_pREAL) &
|
||||
error stop 'mismatch vectorField FFT/invFFT <-> real'
|
||||
|
||||
call random_number(scalarField_real)
|
||||
scalarField_real(cells(1)+1:cells1Red*2,:,:) = 0.0_pReal
|
||||
scalarField_real(cells(1)+1:cells1Red*2,:,:) = 0.0_pREAL
|
||||
scalarField_real_ = scalarField_real
|
||||
call fftw_mpi_execute_dft_r2c(planScalarForth,scalarField_real,scalarField_fourier)
|
||||
call MPI_Allreduce(sum(sum(sum(scalarField_real_,dim=3),dim=2),dim=1),scalarSum,1_MPI_INTEGER_KIND, &
|
||||
MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
if (worldrank==0) then
|
||||
if (dNeq(scalarSum/scalarField_fourier(1,1,1)%re,1.0_pReal,1.0e-12_pReal)) &
|
||||
if (dNeq(scalarSum/scalarField_fourier(1,1,1)%re,1.0_pREAL,1.0e-12_pREAL)) &
|
||||
error stop 'mismatch avg scalarField FFT <-> real'
|
||||
end if
|
||||
call fftw_mpi_execute_dft_c2r(planScalarBack,scalarField_fourier,scalarField_real)
|
||||
scalarField_real(cells(1)+1:cells1Red*2,:,:) = 0.0_pReal
|
||||
if (maxval(abs(scalarField_real_ - scalarField_real*wgt))>5.0e-15_pReal) &
|
||||
scalarField_real(cells(1)+1:cells1Red*2,:,:) = 0.0_pREAL
|
||||
if (maxval(abs(scalarField_real_ - scalarField_real*wgt))>5.0e-15_pREAL) &
|
||||
error stop 'mismatch scalarField FFT/invFFT <-> real'
|
||||
|
||||
call random_number(r)
|
||||
|
@ -1112,54 +1112,54 @@ subroutine selfTest()
|
|||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
|
||||
scalarField_real_ = r(1,1)
|
||||
if (maxval(abs(utilities_scalarGradient(scalarField_real_)))>5.0e-9_pReal) error stop 'non-zero grad(const)'
|
||||
if (maxval(abs(utilities_scalarGradient(scalarField_real_)))>5.0e-9_pREAL) error stop 'non-zero grad(const)'
|
||||
|
||||
vectorField_real_ = spread(spread(spread(r(1,:),2,cells(1)),3,cells(2)),4,cells3)
|
||||
if (maxval(abs(utilities_vectorDivergence(vectorField_real_)))>5.0e-9_pReal) error stop 'non-zero div(const)'
|
||||
if (maxval(abs(utilities_vectorDivergence(vectorField_real_)))>5.0e-9_pREAL) error stop 'non-zero div(const)'
|
||||
|
||||
tensorField_real_ = spread(spread(spread(r,3,cells(1)),4,cells(2)),5,cells3)
|
||||
if (utilities_divergenceRMS(tensorField_real_)>5.0e-14_pReal) error stop 'non-zero RMS div(const)'
|
||||
if (utilities_curlRMS(tensorField_real_)>5.0e-14_pReal) error stop 'non-zero RMS curl(const)'
|
||||
if (utilities_divergenceRMS(tensorField_real_)>5.0e-14_pREAL) error stop 'non-zero RMS div(const)'
|
||||
if (utilities_curlRMS(tensorField_real_)>5.0e-14_pREAL) error stop 'non-zero RMS curl(const)'
|
||||
|
||||
if (cells(1) > 2 .and. spectral_derivative_ID == DERIVATIVE_CONTINUOUS_ID) then
|
||||
scalarField_real_ = spread(spread(planeCosine(cells(1)),2,cells(2)),3,cells3)
|
||||
vectorField_real_ = utilities_scalarGradient(scalarField_real_)/TAU*geomSize(1)
|
||||
scalarField_real_ = -spread(spread(planeSine (cells(1)),2,cells(2)),3,cells3)
|
||||
if (maxval(abs(vectorField_real_(1,:,:,:) - scalarField_real_))>5.0e-12_pReal) error stop 'grad cosine'
|
||||
if (maxval(abs(vectorField_real_(1,:,:,:) - scalarField_real_))>5.0e-12_pREAL) error stop 'grad cosine'
|
||||
scalarField_real_ = spread(spread(planeSine (cells(1)),2,cells(2)),3,cells3)
|
||||
vectorField_real_ = utilities_scalarGradient(scalarField_real_)/TAU*geomSize(1)
|
||||
scalarField_real_ = spread(spread(planeCosine(cells(1)),2,cells(2)),3,cells3)
|
||||
if (maxval(abs(vectorField_real_(1,:,:,:) - scalarField_real_))>5.0e-12_pReal) error stop 'grad sine'
|
||||
if (maxval(abs(vectorField_real_(1,:,:,:) - scalarField_real_))>5.0e-12_pREAL) error stop 'grad sine'
|
||||
|
||||
vectorField_real_(2:3,:,:,:) = 0.0_pReal
|
||||
vectorField_real_(2:3,:,:,:) = 0.0_pREAL
|
||||
vectorField_real_(1,:,:,:) = spread(spread(planeCosine(cells(1)),2,cells(2)),3,cells3)
|
||||
scalarField_real_ = utilities_vectorDivergence(vectorField_real_)/TAU*geomSize(1)
|
||||
vectorField_real_(1,:,:,:) =-spread(spread(planeSine( cells(1)),2,cells(2)),3,cells3)
|
||||
if (maxval(abs(vectorField_real_(1,:,:,:) - scalarField_real_))>5.0e-12_pReal) error stop 'div cosine'
|
||||
vectorField_real_(2:3,:,:,:) = 0.0_pReal
|
||||
if (maxval(abs(vectorField_real_(1,:,:,:) - scalarField_real_))>5.0e-12_pREAL) error stop 'div cosine'
|
||||
vectorField_real_(2:3,:,:,:) = 0.0_pREAL
|
||||
vectorField_real_(1,:,:,:) = spread(spread(planeSine( cells(1)),2,cells(2)),3,cells3)
|
||||
scalarField_real_ = utilities_vectorDivergence(vectorField_real_)/TAU*geomSize(1)
|
||||
vectorField_real_(1,:,:,:) = spread(spread(planeCosine(cells(1)),2,cells(2)),3,cells3)
|
||||
if (maxval(abs(vectorField_real_(1,:,:,:) - scalarField_real_))>5.0e-12_pReal) error stop 'div sine'
|
||||
if (maxval(abs(vectorField_real_(1,:,:,:) - scalarField_real_))>5.0e-12_pREAL) error stop 'div sine'
|
||||
end if
|
||||
|
||||
contains
|
||||
|
||||
function planeCosine(n)
|
||||
integer, intent(in) :: n
|
||||
real(pReal), dimension(n) :: planeCosine
|
||||
real(pREAL), dimension(n) :: planeCosine
|
||||
|
||||
|
||||
planeCosine = cos(real(math_range(n),pReal)/real(n,pReal)*TAU-TAU/real(n*2,pReal))
|
||||
planeCosine = cos(real(math_range(n),pREAL)/real(n,pREAL)*TAU-TAU/real(n*2,pREAL))
|
||||
|
||||
end function planeCosine
|
||||
|
||||
function planeSine(n)
|
||||
integer, intent(in) :: n
|
||||
real(pReal), dimension(n) :: planeSine
|
||||
real(pREAL), dimension(n) :: planeSine
|
||||
|
||||
|
||||
planeSine = sin(real(math_range(n),pReal)/real(n,pReal)*TAU-TAU/real(n*2,pReal))
|
||||
planeSine = sin(real(math_range(n),pREAL)/real(n,pREAL)*TAU-TAU/real(n*2,pREAL))
|
||||
|
||||
end function planeSine
|
||||
|
||||
|
|
|
@ -25,7 +25,7 @@ module homogenization
|
|||
integer :: &
|
||||
sizeState = 0 !< size of state
|
||||
! http://stackoverflow.com/questions/3948210
|
||||
real(pReal), pointer, dimension(:,:), contiguous :: & !< is basically an allocatable+target, but in a type needs to be pointer
|
||||
real(pREAL), pointer, dimension(:,:), contiguous :: & !< is basically an allocatable+target, but in a type needs to be pointer
|
||||
state0, &
|
||||
state
|
||||
end type
|
||||
|
@ -51,12 +51,12 @@ module homogenization
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! General variables for the homogenization at a material point
|
||||
real(pReal), dimension(:,:,:), allocatable, public :: &
|
||||
real(pREAL), dimension(:,:,:), allocatable, public :: &
|
||||
homogenization_F0, & !< def grad of IP at start of FE increment
|
||||
homogenization_F !< def grad of IP to be reached at end of FE increment
|
||||
real(pReal), dimension(:,:,:), allocatable, public :: & !, protected :: & Issue with ifort
|
||||
real(pREAL), dimension(:,:,:), allocatable, public :: & !, protected :: & Issue with ifort
|
||||
homogenization_P !< first P--K stress of IP
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable, public :: & !, protected :: &
|
||||
real(pREAL), dimension(:,:,:,:,:), allocatable, public :: & !, protected :: &
|
||||
homogenization_dPdF !< tangent of first P--K stress at IP
|
||||
|
||||
|
||||
|
@ -81,7 +81,7 @@ module homogenization
|
|||
end subroutine damage_init
|
||||
|
||||
module subroutine mechanical_partition(subF,ce)
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
subF
|
||||
integer, intent(in) :: &
|
||||
ce
|
||||
|
@ -96,7 +96,7 @@ module homogenization
|
|||
end subroutine damage_partition
|
||||
|
||||
module subroutine mechanical_homogenize(Delta_t,ce)
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: &
|
||||
ce !< cell
|
||||
end subroutine mechanical_homogenize
|
||||
|
@ -117,9 +117,9 @@ module homogenization
|
|||
end subroutine thermal_result
|
||||
|
||||
module function mechanical_updateState(subdt,subF,ce) result(doneAndHappy)
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
subdt !< current time step
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
subF
|
||||
integer, intent(in) :: &
|
||||
ce !< cell
|
||||
|
@ -132,22 +132,22 @@ module homogenization
|
|||
|
||||
module function homogenization_mu_T(ce) result(mu)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
end function homogenization_mu_T
|
||||
|
||||
module function homogenization_K_T(ce) result(K)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), dimension(3,3) :: K
|
||||
real(pREAL), dimension(3,3) :: K
|
||||
end function homogenization_K_T
|
||||
|
||||
module function homogenization_f_T(ce) result(f)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal) :: f
|
||||
real(pREAL) :: f
|
||||
end function homogenization_f_T
|
||||
|
||||
module subroutine homogenization_thermal_setField(T,dot_T, ce)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), intent(in) :: T, dot_T
|
||||
real(pREAL), intent(in) :: T, dot_T
|
||||
end subroutine homogenization_thermal_setField
|
||||
|
||||
module function homogenization_damage_active() result(active)
|
||||
|
@ -156,23 +156,23 @@ module homogenization
|
|||
|
||||
module function homogenization_mu_phi(ce) result(mu)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
end function homogenization_mu_phi
|
||||
|
||||
module function homogenization_K_phi(ce) result(K)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), dimension(3,3) :: K
|
||||
real(pREAL), dimension(3,3) :: K
|
||||
end function homogenization_K_phi
|
||||
|
||||
module function homogenization_f_phi(phi,ce) result(f)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), intent(in) :: phi
|
||||
real(pReal) :: f
|
||||
real(pREAL), intent(in) :: phi
|
||||
real(pREAL) :: f
|
||||
end function homogenization_f_phi
|
||||
|
||||
module subroutine homogenization_set_phi(phi,ce)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
phi
|
||||
end subroutine homogenization_set_phi
|
||||
|
||||
|
@ -235,7 +235,7 @@ end subroutine homogenization_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine homogenization_mechanical_response(Delta_t,cell_start,cell_end)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t !< time increment
|
||||
real(pREAL), intent(in) :: Delta_t !< time increment
|
||||
integer, intent(in) :: &
|
||||
cell_start, cell_end
|
||||
integer :: &
|
||||
|
@ -293,7 +293,7 @@ end subroutine homogenization_mechanical_response
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine homogenization_thermal_response(Delta_t,cell_start,cell_end)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t !< time increment
|
||||
real(pREAL), intent(in) :: Delta_t !< time increment
|
||||
integer, intent(in) :: &
|
||||
cell_start, cell_end
|
||||
integer :: &
|
||||
|
@ -321,7 +321,7 @@ end subroutine homogenization_thermal_response
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine homogenization_mechanical_response2(Delta_t,FEsolving_execIP,FEsolving_execElem)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t !< time increment
|
||||
real(pREAL), intent(in) :: Delta_t !< time increment
|
||||
integer, dimension(2), intent(in) :: FEsolving_execElem, FEsolving_execIP
|
||||
integer :: &
|
||||
ip, & !< integration point number
|
||||
|
|
|
@ -11,7 +11,7 @@ submodule(homogenization) damage
|
|||
end interface
|
||||
|
||||
type :: tDataContainer
|
||||
real(pReal), dimension(:), allocatable :: phi
|
||||
real(pREAL), dimension(:), allocatable :: phi
|
||||
end type tDataContainer
|
||||
|
||||
type(tDataContainer), dimension(:), allocatable :: current
|
||||
|
@ -48,7 +48,7 @@ module subroutine damage_init()
|
|||
|
||||
do ho = 1, configHomogenizations%length
|
||||
Nmembers = count(material_ID_homogenization == ho)
|
||||
allocate(current(ho)%phi(Nmembers), source=1.0_pReal)
|
||||
allocate(current(ho)%phi(Nmembers), source=1.0_pREAL)
|
||||
configHomogenization => configHomogenizations%get_dict(ho)
|
||||
associate(prm => param(ho))
|
||||
if (configHomogenization%contains('damage')) then
|
||||
|
@ -59,8 +59,8 @@ module subroutine damage_init()
|
|||
prm%output = configHomogenizationDamage%get_as1dStr('output',defaultVal=emptyStrArray)
|
||||
#endif
|
||||
damageState_h(ho)%sizeState = 1
|
||||
allocate(damageState_h(ho)%state0(1,Nmembers), source=1.0_pReal)
|
||||
allocate(damageState_h(ho)%state (1,Nmembers), source=1.0_pReal)
|
||||
allocate(damageState_h(ho)%state0(1,Nmembers), source=1.0_pREAL)
|
||||
allocate(damageState_h(ho)%state (1,Nmembers), source=1.0_pREAL)
|
||||
else
|
||||
prm%output = emptyStrArray
|
||||
end if
|
||||
|
@ -91,7 +91,7 @@ module subroutine damage_partition(ce)
|
|||
|
||||
integer, intent(in) :: ce
|
||||
|
||||
real(pReal) :: phi
|
||||
real(pREAL) :: phi
|
||||
integer :: co
|
||||
|
||||
|
||||
|
@ -111,7 +111,7 @@ end subroutine damage_partition
|
|||
module function homogenization_mu_phi(ce) result(mu)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
|
||||
|
||||
mu = phase_mu_phi(1,ce)
|
||||
|
@ -125,7 +125,7 @@ end function homogenization_mu_phi
|
|||
module function homogenization_K_phi(ce) result(K)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), dimension(3,3) :: K
|
||||
real(pREAL), dimension(3,3) :: K
|
||||
|
||||
|
||||
K = phase_K_phi(1,ce)
|
||||
|
@ -139,8 +139,8 @@ end function homogenization_K_phi
|
|||
module function homogenization_f_phi(phi,ce) result(f)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), intent(in) :: phi
|
||||
real(pReal) :: f
|
||||
real(pREAL), intent(in) :: phi
|
||||
real(pREAL) :: f
|
||||
|
||||
|
||||
f = phase_f_phi(phi, 1, ce)
|
||||
|
@ -154,7 +154,7 @@ end function homogenization_f_phi
|
|||
module subroutine homogenization_set_phi(phi,ce)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), intent(in) :: phi
|
||||
real(pREAL), intent(in) :: phi
|
||||
|
||||
integer :: &
|
||||
ho, &
|
||||
|
|
|
@ -18,13 +18,13 @@ submodule(homogenization) mechanical
|
|||
|
||||
|
||||
module subroutine isostrain_partitionDeformation(F,avgF)
|
||||
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
||||
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||
real(pREAL), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
||||
real(pREAL), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||
end subroutine isostrain_partitionDeformation
|
||||
|
||||
module subroutine RGC_partitionDeformation(F,avgF,ce)
|
||||
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
||||
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||
real(pREAL), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
||||
real(pREAL), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||
integer, intent(in) :: &
|
||||
ce
|
||||
end subroutine RGC_partitionDeformation
|
||||
|
@ -32,12 +32,12 @@ submodule(homogenization) mechanical
|
|||
|
||||
module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
||||
logical, dimension(2) :: doneAndHappy
|
||||
real(pReal), dimension(:,:,:), intent(in) :: &
|
||||
real(pREAL), dimension(:,:,:), intent(in) :: &
|
||||
P,& !< partitioned stresses
|
||||
F !< partitioned deformation gradients
|
||||
real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
||||
real(pReal), dimension(3,3), intent(in) :: avgF !< average F
|
||||
real(pReal), intent(in) :: dt !< time increment
|
||||
real(pREAL), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
||||
real(pREAL), dimension(3,3), intent(in) :: avgF !< average F
|
||||
real(pREAL), intent(in) :: dt !< time increment
|
||||
integer, intent(in) :: &
|
||||
ce !< cell
|
||||
end function RGC_updateState
|
||||
|
@ -76,10 +76,10 @@ module subroutine mechanical_init()
|
|||
|
||||
call parseMechanical()
|
||||
|
||||
allocate(homogenization_dPdF(3,3,3,3,discretization_Ncells), source=0.0_pReal)
|
||||
allocate(homogenization_dPdF(3,3,3,3,discretization_Ncells), source=0.0_pREAL)
|
||||
homogenization_F0 = spread(math_I3,3,discretization_Ncells)
|
||||
homogenization_F = homogenization_F0
|
||||
allocate(homogenization_P(3,3,discretization_Ncells),source=0.0_pReal)
|
||||
allocate(homogenization_P(3,3,discretization_Ncells),source=0.0_pREAL)
|
||||
|
||||
if (any(mechanical_type == MECHANICAL_PASS_ID)) call pass_init()
|
||||
if (any(mechanical_type == MECHANICAL_ISOSTRAIN_ID)) call isostrain_init()
|
||||
|
@ -93,13 +93,13 @@ end subroutine mechanical_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine mechanical_partition(subF,ce)
|
||||
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
subF
|
||||
integer, intent(in) :: &
|
||||
ce
|
||||
|
||||
integer :: co
|
||||
real(pReal), dimension (3,3,homogenization_Nconstituents(material_ID_homogenization(ce))) :: Fs
|
||||
real(pREAL), dimension (3,3,homogenization_Nconstituents(material_ID_homogenization(ce))) :: Fs
|
||||
|
||||
|
||||
chosenHomogenization: select case(mechanical_type(material_ID_homogenization(ce)))
|
||||
|
@ -128,7 +128,7 @@ end subroutine mechanical_partition
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine mechanical_homogenize(Delta_t,ce)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: ce
|
||||
|
||||
integer :: co
|
||||
|
@ -152,18 +152,18 @@ end subroutine mechanical_homogenize
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function mechanical_updateState(subdt,subF,ce) result(doneAndHappy)
|
||||
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
subdt !< current time step
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
subF
|
||||
integer, intent(in) :: &
|
||||
ce
|
||||
logical, dimension(2) :: doneAndHappy
|
||||
|
||||
integer :: co
|
||||
real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_ID_homogenization(ce)))
|
||||
real(pReal) :: Fs(3,3,homogenization_Nconstituents(material_ID_homogenization(ce)))
|
||||
real(pReal) :: Ps(3,3,homogenization_Nconstituents(material_ID_homogenization(ce)))
|
||||
real(pREAL) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_ID_homogenization(ce)))
|
||||
real(pREAL) :: Fs(3,3,homogenization_Nconstituents(material_ID_homogenization(ce)))
|
||||
real(pREAL) :: Ps(3,3,homogenization_Nconstituents(material_ID_homogenization(ce)))
|
||||
|
||||
|
||||
if (mechanical_type(material_ID_homogenization(ce)) == MECHANICAL_RGC_ID) then
|
||||
|
|
|
@ -13,10 +13,10 @@ submodule(homogenization:mechanical) RGC
|
|||
type :: tParameters
|
||||
integer, dimension(:), allocatable :: &
|
||||
N_constituents
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
xi_alpha, &
|
||||
c_Alpha
|
||||
real(pReal), dimension(:), allocatable :: &
|
||||
real(pREAL), dimension(:), allocatable :: &
|
||||
D_alpha, &
|
||||
a_g
|
||||
character(len=pSTRLEN), allocatable, dimension(:) :: &
|
||||
|
@ -24,23 +24,23 @@ submodule(homogenization:mechanical) RGC
|
|||
end type tParameters
|
||||
|
||||
type :: tRGCstate
|
||||
real(pReal), pointer, dimension(:,:) :: &
|
||||
real(pREAL), pointer, dimension(:,:) :: &
|
||||
relaxationVector
|
||||
end type tRGCstate
|
||||
|
||||
type :: tRGCdependentState
|
||||
real(pReal), allocatable, dimension(:) :: &
|
||||
real(pREAL), allocatable, dimension(:) :: &
|
||||
volumeDiscrepancy, &
|
||||
relaxationRate_avg, &
|
||||
relaxationRate_max
|
||||
real(pReal), allocatable, dimension(:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:) :: &
|
||||
mismatch
|
||||
real(pReal), allocatable, dimension(:,:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:,:) :: &
|
||||
orientation
|
||||
end type tRGCdependentState
|
||||
|
||||
type :: tNumerics_RGC
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
atol, & !< absolute tolerance of RGC residuum
|
||||
rtol, & !< relative tolerance of RGC residuum
|
||||
absMax, & !< absolute maximum of RGC residuum
|
||||
|
@ -108,33 +108,33 @@ module subroutine RGC_init()
|
|||
num_mechanical => num_homogenization%get_dict('mechanical',defaultVal=emptyDict)
|
||||
num_RGC => num_mechanical%get_dict('RGC',defaultVal=emptyDict)
|
||||
|
||||
num%atol = num_RGC%get_asReal('atol', defaultVal=1.0e+4_pReal)
|
||||
num%rtol = num_RGC%get_asReal('rtol', defaultVal=1.0e-3_pReal)
|
||||
num%absMax = num_RGC%get_asReal('amax', defaultVal=1.0e+10_pReal)
|
||||
num%relMax = num_RGC%get_asReal('rmax', defaultVal=1.0e+2_pReal)
|
||||
num%pPert = num_RGC%get_asReal('perturbpenalty', defaultVal=1.0e-7_pReal)
|
||||
num%xSmoo = num_RGC%get_asReal('relvantmismatch', defaultVal=1.0e-5_pReal)
|
||||
num%viscPower = num_RGC%get_asReal('viscositypower', defaultVal=1.0e+0_pReal)
|
||||
num%viscModus = num_RGC%get_asReal('viscositymodulus', defaultVal=0.0e+0_pReal)
|
||||
num%refRelaxRate = num_RGC%get_asReal('refrelaxationrate', defaultVal=1.0e-3_pReal)
|
||||
num%maxdRelax = num_RGC%get_asReal('maxrelaxationrate', defaultVal=1.0e+0_pReal)
|
||||
num%maxVolDiscr = num_RGC%get_asReal('maxvoldiscrepancy', defaultVal=1.0e-5_pReal)
|
||||
num%volDiscrMod = num_RGC%get_asReal('voldiscrepancymod', defaultVal=1.0e+12_pReal)
|
||||
num%volDiscrPow = num_RGC%get_asReal('dicrepancypower', defaultVal=5.0_pReal)
|
||||
num%atol = num_RGC%get_asReal('atol', defaultVal=1.0e+4_pREAL)
|
||||
num%rtol = num_RGC%get_asReal('rtol', defaultVal=1.0e-3_pREAL)
|
||||
num%absMax = num_RGC%get_asReal('amax', defaultVal=1.0e+10_pREAL)
|
||||
num%relMax = num_RGC%get_asReal('rmax', defaultVal=1.0e+2_pREAL)
|
||||
num%pPert = num_RGC%get_asReal('perturbpenalty', defaultVal=1.0e-7_pREAL)
|
||||
num%xSmoo = num_RGC%get_asReal('relvantmismatch', defaultVal=1.0e-5_pREAL)
|
||||
num%viscPower = num_RGC%get_asReal('viscositypower', defaultVal=1.0e+0_pREAL)
|
||||
num%viscModus = num_RGC%get_asReal('viscositymodulus', defaultVal=0.0e+0_pREAL)
|
||||
num%refRelaxRate = num_RGC%get_asReal('refrelaxationrate', defaultVal=1.0e-3_pREAL)
|
||||
num%maxdRelax = num_RGC%get_asReal('maxrelaxationrate', defaultVal=1.0e+0_pREAL)
|
||||
num%maxVolDiscr = num_RGC%get_asReal('maxvoldiscrepancy', defaultVal=1.0e-5_pREAL)
|
||||
num%volDiscrMod = num_RGC%get_asReal('voldiscrepancymod', defaultVal=1.0e+12_pREAL)
|
||||
num%volDiscrPow = num_RGC%get_asReal('dicrepancypower', defaultVal=5.0_pREAL)
|
||||
|
||||
if (num%atol <= 0.0_pReal) call IO_error(301,ext_msg='absTol_RGC')
|
||||
if (num%rtol <= 0.0_pReal) call IO_error(301,ext_msg='relTol_RGC')
|
||||
if (num%absMax <= 0.0_pReal) call IO_error(301,ext_msg='absMax_RGC')
|
||||
if (num%relMax <= 0.0_pReal) call IO_error(301,ext_msg='relMax_RGC')
|
||||
if (num%pPert <= 0.0_pReal) call IO_error(301,ext_msg='pPert_RGC')
|
||||
if (num%xSmoo <= 0.0_pReal) call IO_error(301,ext_msg='xSmoo_RGC')
|
||||
if (num%viscPower < 0.0_pReal) call IO_error(301,ext_msg='viscPower_RGC')
|
||||
if (num%viscModus < 0.0_pReal) call IO_error(301,ext_msg='viscModus_RGC')
|
||||
if (num%refRelaxRate <= 0.0_pReal) call IO_error(301,ext_msg='refRelaxRate_RGC')
|
||||
if (num%maxdRelax <= 0.0_pReal) call IO_error(301,ext_msg='maxdRelax_RGC')
|
||||
if (num%maxVolDiscr <= 0.0_pReal) call IO_error(301,ext_msg='maxVolDiscr_RGC')
|
||||
if (num%volDiscrMod < 0.0_pReal) call IO_error(301,ext_msg='volDiscrMod_RGC')
|
||||
if (num%volDiscrPow <= 0.0_pReal) call IO_error(301,ext_msg='volDiscrPw_RGC')
|
||||
if (num%atol <= 0.0_pREAL) call IO_error(301,ext_msg='absTol_RGC')
|
||||
if (num%rtol <= 0.0_pREAL) call IO_error(301,ext_msg='relTol_RGC')
|
||||
if (num%absMax <= 0.0_pREAL) call IO_error(301,ext_msg='absMax_RGC')
|
||||
if (num%relMax <= 0.0_pREAL) call IO_error(301,ext_msg='relMax_RGC')
|
||||
if (num%pPert <= 0.0_pREAL) call IO_error(301,ext_msg='pPert_RGC')
|
||||
if (num%xSmoo <= 0.0_pREAL) call IO_error(301,ext_msg='xSmoo_RGC')
|
||||
if (num%viscPower < 0.0_pREAL) call IO_error(301,ext_msg='viscPower_RGC')
|
||||
if (num%viscModus < 0.0_pREAL) call IO_error(301,ext_msg='viscModus_RGC')
|
||||
if (num%refRelaxRate <= 0.0_pREAL) call IO_error(301,ext_msg='refRelaxRate_RGC')
|
||||
if (num%maxdRelax <= 0.0_pREAL) call IO_error(301,ext_msg='maxdRelax_RGC')
|
||||
if (num%maxVolDiscr <= 0.0_pREAL) call IO_error(301,ext_msg='maxVolDiscr_RGC')
|
||||
if (num%volDiscrMod < 0.0_pREAL) call IO_error(301,ext_msg='volDiscrMod_RGC')
|
||||
if (num%volDiscrPow <= 0.0_pREAL) call IO_error(301,ext_msg='volDiscrPw_RGC')
|
||||
|
||||
|
||||
do ho = 1, size(mechanical_type)
|
||||
|
@ -169,16 +169,16 @@ module subroutine RGC_init()
|
|||
sizeState = nIntFaceTot
|
||||
|
||||
homogState(ho)%sizeState = sizeState
|
||||
allocate(homogState(ho)%state0 (sizeState,Nmembers), source=0.0_pReal)
|
||||
allocate(homogState(ho)%state (sizeState,Nmembers), source=0.0_pReal)
|
||||
allocate(homogState(ho)%state0 (sizeState,Nmembers), source=0.0_pREAL)
|
||||
allocate(homogState(ho)%state (sizeState,Nmembers), source=0.0_pREAL)
|
||||
|
||||
stt%relaxationVector => homogState(ho)%state(1:nIntFaceTot,:)
|
||||
st0%relaxationVector => homogState(ho)%state0(1:nIntFaceTot,:)
|
||||
|
||||
allocate(dst%volumeDiscrepancy( Nmembers), source=0.0_pReal)
|
||||
allocate(dst%relaxationRate_avg( Nmembers), source=0.0_pReal)
|
||||
allocate(dst%relaxationRate_max( Nmembers), source=0.0_pReal)
|
||||
allocate(dst%mismatch( 3,Nmembers), source=0.0_pReal)
|
||||
allocate(dst%volumeDiscrepancy( Nmembers), source=0.0_pREAL)
|
||||
allocate(dst%relaxationRate_avg( Nmembers), source=0.0_pREAL)
|
||||
allocate(dst%relaxationRate_max( Nmembers), source=0.0_pREAL)
|
||||
allocate(dst%mismatch( 3,Nmembers), source=0.0_pREAL)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! assigning cluster orientations
|
||||
|
@ -197,13 +197,13 @@ end subroutine RGC_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine RGC_partitionDeformation(F,avgF,ce)
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned F per grain
|
||||
real(pREAL), dimension (:,:,:), intent(out) :: F !< partitioned F per grain
|
||||
|
||||
real(pReal), dimension (3,3), intent(in) :: avgF !< averaged F
|
||||
real(pREAL), dimension (3,3), intent(in) :: avgF !< averaged F
|
||||
integer, intent(in) :: &
|
||||
ce
|
||||
|
||||
real(pReal), dimension(3) :: aVect,nVect
|
||||
real(pREAL), dimension(3) :: aVect,nVect
|
||||
integer, dimension(4) :: intFace
|
||||
integer, dimension(3) :: iGrain3
|
||||
integer :: iGrain,iFace,i,j,ho,en
|
||||
|
@ -214,7 +214,7 @@ module subroutine RGC_partitionDeformation(F,avgF,ce)
|
|||
en = material_entry_homogenization(ce)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! compute the deformation gradient of individual grains due to relaxations
|
||||
F = 0.0_pReal
|
||||
F = 0.0_pREAL
|
||||
do iGrain = 1,product(prm%N_constituents)
|
||||
iGrain3 = grain1to3(iGrain,prm%N_constituents)
|
||||
do iFace = 1,6
|
||||
|
@ -238,25 +238,25 @@ end subroutine RGC_partitionDeformation
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
||||
logical, dimension(2) :: doneAndHappy
|
||||
real(pReal), dimension(:,:,:), intent(in) :: &
|
||||
real(pREAL), dimension(:,:,:), intent(in) :: &
|
||||
P,& !< partitioned stresses
|
||||
F !< partitioned deformation gradients
|
||||
real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
||||
real(pReal), dimension(3,3), intent(in) :: avgF !< average F
|
||||
real(pReal), intent(in) :: dt !< time increment
|
||||
real(pREAL), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
||||
real(pREAL), dimension(3,3), intent(in) :: avgF !< average F
|
||||
real(pREAL), intent(in) :: dt !< time increment
|
||||
integer, intent(in) :: &
|
||||
ce !< cell
|
||||
|
||||
integer, dimension(4) :: intFaceN,intFaceP,faceID
|
||||
integer, dimension(3) :: nGDim,iGr3N,iGr3P
|
||||
integer :: ho,iNum,i,j,nIntFaceTot,iGrN,iGrP,iMun,iFace,k,l,ipert,nGrain, en
|
||||
real(pReal), dimension(3,3,size(P,3)) :: R,pF,pR,D,pD
|
||||
real(pReal), dimension(3,size(P,3)) :: NN,devNull
|
||||
real(pReal), dimension(3) :: normP,normN,mornP,mornN
|
||||
real(pReal) :: residMax,stresMax
|
||||
real(pREAL), dimension(3,3,size(P,3)) :: R,pF,pR,D,pD
|
||||
real(pREAL), dimension(3,size(P,3)) :: NN,devNull
|
||||
real(pREAL), dimension(3) :: normP,normN,mornP,mornN
|
||||
real(pREAL) :: residMax,stresMax
|
||||
logical :: error
|
||||
real(pReal), dimension(:,:), allocatable :: tract,jmatrix,jnverse,smatrix,pmatrix,rmatrix
|
||||
real(pReal), dimension(:), allocatable :: resid,relax,p_relax,p_resid,drelax
|
||||
real(pREAL), dimension(:,:), allocatable :: tract,jmatrix,jnverse,smatrix,pmatrix,rmatrix
|
||||
real(pREAL), dimension(:), allocatable :: resid,relax,p_relax,p_resid,drelax
|
||||
|
||||
zeroTimeStep: if (dEq0(dt)) then
|
||||
doneAndHappy = .true. ! pretend everything is fine and return
|
||||
|
@ -278,8 +278,8 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate the size of the global relaxation arrays/jacobian matrices depending on the size of the cluster
|
||||
allocate(resid(3*nIntFaceTot), source=0.0_pReal)
|
||||
allocate(tract(nIntFaceTot,3), source=0.0_pReal)
|
||||
allocate(resid(3*nIntFaceTot), source=0.0_pREAL)
|
||||
allocate(tract(nIntFaceTot,3), source=0.0_pREAL)
|
||||
relax = stt%relaxationVector(:,en)
|
||||
drelax = stt%relaxationVector(:,en) - st0%relaxationVector(:,en)
|
||||
|
||||
|
@ -337,8 +337,8 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
if (residMax < num%rtol*stresMax .or. residMax < num%atol) then
|
||||
doneAndHappy = .true.
|
||||
|
||||
dst%mismatch(1:3,en) = sum(NN,2)/real(nGrain,pReal)
|
||||
dst%relaxationRate_avg(en) = sum(abs(drelax))/dt/real(3*nIntFaceTot,pReal)
|
||||
dst%mismatch(1:3,en) = sum(NN,2)/real(nGrain,pREAL)
|
||||
dst%relaxationRate_avg(en) = sum(abs(drelax))/dt/real(3*nIntFaceTot,pREAL)
|
||||
dst%relaxationRate_max(en) = maxval(abs(drelax))/dt
|
||||
|
||||
return
|
||||
|
@ -356,7 +356,7 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! ... of the constitutive stress tangent, assembled from dPdF or material constitutive model "smatrix"
|
||||
allocate(smatrix(3*nIntFaceTot,3*nIntFaceTot), source=0.0_pReal)
|
||||
allocate(smatrix(3*nIntFaceTot,3*nIntFaceTot), source=0.0_pREAL)
|
||||
do iNum = 1,nIntFaceTot
|
||||
faceID = interface1to4(iNum,param(ho)%N_constituents) ! assembling of local dPdF into global Jacobian matrix
|
||||
|
||||
|
@ -403,9 +403,9 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! ... of the stress penalty tangent (mismatch penalty and volume penalty, computed using numerical
|
||||
! perturbation method) "pmatrix"
|
||||
allocate(pmatrix(3*nIntFaceTot,3*nIntFaceTot), source=0.0_pReal)
|
||||
allocate(p_relax(3*nIntFaceTot), source=0.0_pReal)
|
||||
allocate(p_resid(3*nIntFaceTot), source=0.0_pReal)
|
||||
allocate(pmatrix(3*nIntFaceTot,3*nIntFaceTot), source=0.0_pREAL)
|
||||
allocate(p_relax(3*nIntFaceTot), source=0.0_pREAL)
|
||||
allocate(p_resid(3*nIntFaceTot), source=0.0_pREAL)
|
||||
|
||||
do ipert = 1,3*nIntFaceTot
|
||||
p_relax = relax
|
||||
|
@ -417,7 +417,7 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! computing the global stress residual array from the perturbed state
|
||||
p_resid = 0.0_pReal
|
||||
p_resid = 0.0_pREAL
|
||||
do iNum = 1,nIntFaceTot
|
||||
faceID = interface1to4(iNum,param(ho)%N_constituents) ! identifying the interface ID in local coordinate system (4-dimensional index)
|
||||
|
||||
|
@ -452,10 +452,10 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! ... of the numerical viscosity traction "rmatrix"
|
||||
allocate(rmatrix(3*nIntFaceTot,3*nIntFaceTot),source=0.0_pReal)
|
||||
allocate(rmatrix(3*nIntFaceTot,3*nIntFaceTot),source=0.0_pREAL)
|
||||
do i=1,3*nIntFaceTot
|
||||
rmatrix(i,i) = num%viscModus*num%viscPower/(num%refRelaxRate*dt)* & ! tangent due to numerical viscosity traction appears
|
||||
(abs(drelax(i))/(num%refRelaxRate*dt))**(num%viscPower - 1.0_pReal) ! only in the main diagonal term
|
||||
(abs(drelax(i))/(num%refRelaxRate*dt))**(num%viscPower - 1.0_pREAL) ! only in the main diagonal term
|
||||
end do
|
||||
|
||||
|
||||
|
@ -465,12 +465,12 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! computing the update of the state variable (relaxation vectors) using the Jacobian matrix
|
||||
allocate(jnverse(3*nIntFaceTot,3*nIntFaceTot),source=0.0_pReal)
|
||||
allocate(jnverse(3*nIntFaceTot,3*nIntFaceTot),source=0.0_pREAL)
|
||||
call math_invert(jnverse,error,jmatrix)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate the state update (global relaxation vectors) for the next Newton-Raphson iteration
|
||||
drelax = 0.0_pReal
|
||||
drelax = 0.0_pREAL
|
||||
do i = 1,3*nIntFaceTot;do j = 1,3*nIntFaceTot
|
||||
drelax(i) = drelax(i) - jnverse(i,j)*resid(j) ! Calculate the correction for the state variable
|
||||
end do; end do
|
||||
|
@ -492,26 +492,26 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
!------------------------------------------------------------------------------------------------
|
||||
subroutine stressPenalty(rPen,nMis,avgF,fDef,ho,en)
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(out) :: rPen !< stress-like penalty
|
||||
real(pReal), dimension (:,:), intent(out) :: nMis !< total amount of mismatch
|
||||
real(pREAL), dimension (:,:,:), intent(out) :: rPen !< stress-like penalty
|
||||
real(pREAL), dimension (:,:), intent(out) :: nMis !< total amount of mismatch
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(in) :: fDef !< deformation gradients
|
||||
real(pReal), dimension (3,3), intent(in) :: avgF !< initial effective stretch tensor
|
||||
real(pREAL), dimension (:,:,:), intent(in) :: fDef !< deformation gradients
|
||||
real(pREAL), dimension (3,3), intent(in) :: avgF !< initial effective stretch tensor
|
||||
integer, intent(in) :: ho, en
|
||||
|
||||
integer, dimension (4) :: intFace
|
||||
integer, dimension (3) :: iGrain3,iGNghb3,nGDim
|
||||
real(pReal), dimension (3,3) :: gDef,nDef
|
||||
real(pReal), dimension (3) :: nVect,surfCorr
|
||||
real(pREAL), dimension (3,3) :: gDef,nDef
|
||||
real(pREAL), dimension (3) :: nVect,surfCorr
|
||||
integer :: iGrain,iGNghb,iFace,i,j,k,l
|
||||
real(pReal) :: muGrain,muGNghb,nDefNorm
|
||||
real(pReal), parameter :: &
|
||||
nDefToler = 1.0e-10_pReal, &
|
||||
b = 2.5e-10_pReal ! Length of Burgers vector
|
||||
real(pREAL) :: muGrain,muGNghb,nDefNorm
|
||||
real(pREAL), parameter :: &
|
||||
nDefToler = 1.0e-10_pREAL, &
|
||||
b = 2.5e-10_pREAL ! Length of Burgers vector
|
||||
|
||||
nGDim = param(ho)%N_constituents
|
||||
rPen = 0.0_pReal
|
||||
nMis = 0.0_pReal
|
||||
rPen = 0.0_pREAL
|
||||
nMis = 0.0_pREAL
|
||||
|
||||
!----------------------------------------------------------------------------------------------
|
||||
! get the correction factor the modulus of penalty stress representing the evolution of area of
|
||||
|
@ -532,17 +532,17 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
nVect = interfaceNormal(intFace,ho,en)
|
||||
iGNghb3 = iGrain3 ! identify the neighboring grain across the interface
|
||||
iGNghb3(abs(intFace(1))) = iGNghb3(abs(intFace(1))) &
|
||||
+ int(real(intFace(1),pReal)/real(abs(intFace(1)),pReal))
|
||||
+ int(real(intFace(1),pREAL)/real(abs(intFace(1)),pREAL))
|
||||
where(iGNghb3 < 1) iGNghb3 = nGDim
|
||||
where(iGNghb3 >nGDim) iGNghb3 = 1
|
||||
iGNghb = grain3to1(iGNghb3,prm%N_constituents) ! get the ID of the neighboring grain
|
||||
muGNghb = equivalentMu(iGNghb,ce)
|
||||
gDef = 0.5_pReal*(fDef(1:3,1:3,iGNghb) - fDef(1:3,1:3,iGrain)) ! difference/jump in deformation gradeint across the neighbor
|
||||
gDef = 0.5_pREAL*(fDef(1:3,1:3,iGNghb) - fDef(1:3,1:3,iGrain)) ! difference/jump in deformation gradeint across the neighbor
|
||||
|
||||
!-------------------------------------------------------------------------------------------
|
||||
! compute the mismatch tensor of all interfaces
|
||||
nDefNorm = 0.0_pReal
|
||||
nDef = 0.0_pReal
|
||||
nDefNorm = 0.0_pREAL
|
||||
nDef = 0.0_pREAL
|
||||
do i = 1,3; do j = 1,3
|
||||
do k = 1,3; do l = 1,3
|
||||
nDef(i,j) = nDef(i,j) - nVect(k)*gDef(i,l)*math_LeviCivita(j,k,l) ! compute the interface mismatch tensor from the jump of deformation gradient
|
||||
|
@ -556,10 +556,10 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
!-------------------------------------------------------------------------------------------
|
||||
! compute the stress penalty of all interfaces
|
||||
do i = 1,3; do j = 1,3; do k = 1,3; do l = 1,3
|
||||
rPen(i,j,iGrain) = rPen(i,j,iGrain) + 0.5_pReal*(muGrain*b + muGNghb*b)*prm%xi_alpha &
|
||||
rPen(i,j,iGrain) = rPen(i,j,iGrain) + 0.5_pREAL*(muGrain*b + muGNghb*b)*prm%xi_alpha &
|
||||
*surfCorr(abs(intFace(1)))/prm%D_alpha(abs(intFace(1))) &
|
||||
*cosh(prm%c_alpha*nDefNorm) &
|
||||
*0.5_pReal*nVect(l)*nDef(i,k)/nDefNorm*math_LeviCivita(k,l,j) &
|
||||
*0.5_pREAL*nVect(l)*nDef(i,k)/nDefNorm*math_LeviCivita(k,l,j) &
|
||||
*tanh(nDefNorm/num%xSmoo)
|
||||
end do; end do;end do; end do
|
||||
end do interfaceLoop
|
||||
|
@ -577,15 +577,15 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
!------------------------------------------------------------------------------------------------
|
||||
subroutine volumePenalty(vPen,vDiscrep,fAvg,fDef,nGrain)
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(out) :: vPen ! stress-like penalty due to volume
|
||||
real(pReal), intent(out) :: vDiscrep ! total volume discrepancy
|
||||
real(pREAL), dimension (:,:,:), intent(out) :: vPen ! stress-like penalty due to volume
|
||||
real(pREAL), intent(out) :: vDiscrep ! total volume discrepancy
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(in) :: fDef ! deformation gradients
|
||||
real(pReal), dimension (3,3), intent(in) :: fAvg ! overall deformation gradient
|
||||
real(pREAL), dimension (:,:,:), intent(in) :: fDef ! deformation gradients
|
||||
real(pREAL), dimension (3,3), intent(in) :: fAvg ! overall deformation gradient
|
||||
integer, intent(in) :: &
|
||||
Ngrain
|
||||
|
||||
real(pReal), dimension(size(vPen,3)) :: gVol
|
||||
real(pREAL), dimension(size(vPen,3)) :: gVol
|
||||
integer :: i
|
||||
|
||||
!----------------------------------------------------------------------------------------------
|
||||
|
@ -593,16 +593,16 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
vDiscrep = math_det33(fAvg) ! compute the volume of the cluster
|
||||
do i = 1,nGrain
|
||||
gVol(i) = math_det33(fDef(1:3,1:3,i)) ! compute the volume of individual grains
|
||||
vDiscrep = vDiscrep - gVol(i)/real(nGrain,pReal) ! calculate the difference/dicrepancy between
|
||||
vDiscrep = vDiscrep - gVol(i)/real(nGrain,pREAL) ! calculate the difference/dicrepancy between
|
||||
! the volume of the cluster and the the total volume of grains
|
||||
end do
|
||||
|
||||
!----------------------------------------------------------------------------------------------
|
||||
! calculate the stress and penalty due to volume discrepancy
|
||||
vPen = 0.0_pReal
|
||||
vPen = 0.0_pREAL
|
||||
do i = 1,nGrain
|
||||
vPen(:,:,i) = -real(nGrain,pReal)**(-1)*num%volDiscrMod*num%volDiscrPow/num%maxVolDiscr &
|
||||
* sign((abs(vDiscrep)/num%maxVolDiscr)**(num%volDiscrPow - 1.0_pReal),vDiscrep) &
|
||||
vPen(:,:,i) = -real(nGrain,pREAL)**(-1)*num%volDiscrMod*num%volDiscrPow/num%maxVolDiscr &
|
||||
* sign((abs(vDiscrep)/num%maxVolDiscr)**(num%volDiscrPow - 1.0_pREAL),vDiscrep) &
|
||||
* gVol(i)*transpose(math_inv33(fDef(:,:,i)))
|
||||
end do
|
||||
|
||||
|
@ -615,21 +615,21 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function surfaceCorrection(avgF,ho,en)
|
||||
|
||||
real(pReal), dimension(3) :: surfaceCorrection
|
||||
real(pREAL), dimension(3) :: surfaceCorrection
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: avgF !< average F
|
||||
real(pREAL), dimension(3,3), intent(in) :: avgF !< average F
|
||||
integer, intent(in) :: &
|
||||
ho, &
|
||||
en
|
||||
real(pReal), dimension(3,3) :: invC
|
||||
real(pReal), dimension(3) :: nVect
|
||||
real(pReal) :: detF
|
||||
real(pREAL), dimension(3,3) :: invC
|
||||
real(pREAL), dimension(3) :: nVect
|
||||
real(pREAL) :: detF
|
||||
integer :: i,j,iBase
|
||||
logical :: error
|
||||
|
||||
call math_invert33(invC,detF,error,matmul(transpose(avgF),avgF))
|
||||
|
||||
surfaceCorrection = 0.0_pReal
|
||||
surfaceCorrection = 0.0_pREAL
|
||||
do iBase = 1,3
|
||||
nVect = interfaceNormal([iBase,1,1,1],ho,en)
|
||||
do i = 1,3; do j = 1,3
|
||||
|
@ -644,13 +644,13 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
!-------------------------------------------------------------------------------------------------
|
||||
!> @brief compute the equivalent shear and bulk moduli from the elasticity tensor
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
real(pReal) function equivalentMu(co,ce)
|
||||
real(pREAL) function equivalentMu(co,ce)
|
||||
|
||||
integer, intent(in) :: &
|
||||
co,&
|
||||
ce
|
||||
|
||||
real(pReal), dimension(6,6) :: C
|
||||
real(pREAL), dimension(6,6) :: C
|
||||
|
||||
C = phase_homogenizedC66(material_ID_phase(co,ce),material_entry_phase(co,ce)) ! damage not included!
|
||||
|
||||
|
@ -665,14 +665,14 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
!-------------------------------------------------------------------------------------------------
|
||||
subroutine grainDeformation(F, avgF, ho, en)
|
||||
|
||||
real(pReal), dimension(:,:,:), intent(out) :: F !< partitioned F per grain
|
||||
real(pREAL), dimension(:,:,:), intent(out) :: F !< partitioned F per grain
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: avgF !< averaged F
|
||||
real(pREAL), dimension(:,:), intent(in) :: avgF !< averaged F
|
||||
integer, intent(in) :: &
|
||||
ho, &
|
||||
en
|
||||
|
||||
real(pReal), dimension(3) :: aVect,nVect
|
||||
real(pREAL), dimension(3) :: aVect,nVect
|
||||
integer, dimension(4) :: intFace
|
||||
integer, dimension(3) :: iGrain3
|
||||
integer :: iGrain,iFace,i,j
|
||||
|
@ -682,7 +682,7 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
|
||||
associate (prm => param(ho))
|
||||
|
||||
F = 0.0_pReal
|
||||
F = 0.0_pREAL
|
||||
do iGrain = 1,product(prm%N_constituents)
|
||||
iGrain3 = grain1to3(iGrain,prm%N_constituents)
|
||||
do iFace = 1,6
|
||||
|
@ -739,7 +739,7 @@ end subroutine RGC_result
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function relaxationVector(intFace,ho,en)
|
||||
|
||||
real(pReal), dimension (3) :: relaxationVector
|
||||
real(pREAL), dimension (3) :: relaxationVector
|
||||
|
||||
integer, intent(in) :: ho,en
|
||||
integer, dimension(4), intent(in) :: intFace !< set of interface ID in 4D array (normal and position)
|
||||
|
@ -756,7 +756,7 @@ pure function relaxationVector(intFace,ho,en)
|
|||
if (iNum > 0) then
|
||||
relaxationVector = stt%relaxationVector((3*iNum-2):(3*iNum),en)
|
||||
else
|
||||
relaxationVector = 0.0_pReal
|
||||
relaxationVector = 0.0_pREAL
|
||||
end if
|
||||
|
||||
end associate
|
||||
|
@ -769,7 +769,7 @@ end function relaxationVector
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function interfaceNormal(intFace,ho,en) result(n)
|
||||
|
||||
real(pReal), dimension(3) :: n
|
||||
real(pREAL), dimension(3) :: n
|
||||
integer, dimension(4), intent(in) :: intFace !< interface ID in 4D array (normal and position)
|
||||
integer, intent(in) :: &
|
||||
ho, &
|
||||
|
@ -778,8 +778,8 @@ pure function interfaceNormal(intFace,ho,en) result(n)
|
|||
|
||||
associate (dst => dependentState(ho))
|
||||
|
||||
n = 0.0_pReal
|
||||
n(abs(intFace(1))) = real(intFace(1)/abs(intFace(1)),pReal) ! get the normal vector w.r.t. cluster axis
|
||||
n = 0.0_pREAL
|
||||
n(abs(intFace(1))) = real(intFace(1)/abs(intFace(1)),pREAL) ! get the normal vector w.r.t. cluster axis
|
||||
|
||||
n = matmul(dst%orientation(1:3,1:3,en),n) ! map the normal vector into sample coordinate system (basis)
|
||||
|
||||
|
@ -800,7 +800,7 @@ pure function getInterface(iFace,iGrain3) result(i)
|
|||
integer :: iDir !< direction of interface normal
|
||||
|
||||
|
||||
iDir = (int(real(iFace-1,pReal)/2.0_pReal)+1)*(-1)**iFace
|
||||
iDir = (int(real(iFace-1,pREAL)/2.0_pREAL)+1)*(-1)**iFace
|
||||
i = [iDir,iGrain3]
|
||||
if (iDir < 0) i(1-iDir) = i(1-iDir)-1 ! to have a correlation with coordinate/position in real space
|
||||
|
||||
|
@ -907,18 +907,18 @@ pure function interface1to4(iFace1D, nGDim)
|
|||
if (iFace1D > 0 .and. iFace1D <= nIntFace(1)) then ! interface with normal || e1
|
||||
interface1to4(1) = 1
|
||||
interface1to4(3) = mod((iFace1D-1),nGDim(2))+1
|
||||
interface1to4(4) = mod(int(real(iFace1D-1,pReal)/real(nGDim(2),pReal)),nGDim(3))+1
|
||||
interface1to4(2) = int(real(iFace1D-1,pReal)/real(nGDim(2),pReal)/real(nGDim(3),pReal))+1
|
||||
interface1to4(4) = mod(int(real(iFace1D-1,pREAL)/real(nGDim(2),pREAL)),nGDim(3))+1
|
||||
interface1to4(2) = int(real(iFace1D-1,pREAL)/real(nGDim(2),pREAL)/real(nGDim(3),pREAL))+1
|
||||
elseif (iFace1D > nIntFace(1) .and. iFace1D <= (nIntFace(2) + nIntFace(1))) then ! interface with normal || e2
|
||||
interface1to4(1) = 2
|
||||
interface1to4(4) = mod((iFace1D-nIntFace(1)-1),nGDim(3))+1
|
||||
interface1to4(2) = mod(int(real(iFace1D-nIntFace(1)-1,pReal)/real(nGDim(3),pReal)),nGDim(1))+1
|
||||
interface1to4(3) = int(real(iFace1D-nIntFace(1)-1,pReal)/real(nGDim(3),pReal)/real(nGDim(1),pReal))+1
|
||||
interface1to4(2) = mod(int(real(iFace1D-nIntFace(1)-1,pREAL)/real(nGDim(3),pREAL)),nGDim(1))+1
|
||||
interface1to4(3) = int(real(iFace1D-nIntFace(1)-1,pREAL)/real(nGDim(3),pREAL)/real(nGDim(1),pREAL))+1
|
||||
elseif (iFace1D > nIntFace(2) + nIntFace(1) .and. iFace1D <= (nIntFace(3) + nIntFace(2) + nIntFace(1))) then ! interface with normal || e3
|
||||
interface1to4(1) = 3
|
||||
interface1to4(2) = mod((iFace1D-nIntFace(2)-nIntFace(1)-1),nGDim(1))+1
|
||||
interface1to4(3) = mod(int(real(iFace1D-nIntFace(2)-nIntFace(1)-1,pReal)/real(nGDim(1),pReal)),nGDim(2))+1
|
||||
interface1to4(4) = int(real(iFace1D-nIntFace(2)-nIntFace(1)-1,pReal)/real(nGDim(1),pReal)/real(nGDim(2),pReal))+1
|
||||
interface1to4(3) = mod(int(real(iFace1D-nIntFace(2)-nIntFace(1)-1,pREAL)/real(nGDim(1),pREAL)),nGDim(2))+1
|
||||
interface1to4(4) = int(real(iFace1D-nIntFace(2)-nIntFace(1)-1,pREAL)/real(nGDim(1),pREAL)/real(nGDim(2),pREAL))+1
|
||||
end if
|
||||
|
||||
end function interface1to4
|
||||
|
|
|
@ -40,9 +40,9 @@ end subroutine isostrain_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine isostrain_partitionDeformation(F,avgF)
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
||||
real(pREAL), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
||||
|
||||
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||
real(pREAL), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||
|
||||
|
||||
F = spread(avgF,3,size(F,3))
|
||||
|
|
|
@ -14,7 +14,7 @@ submodule(homogenization) thermal
|
|||
end interface
|
||||
|
||||
type :: tDataContainer
|
||||
real(pReal), dimension(:), allocatable :: T, dot_T
|
||||
real(pREAL), dimension(:), allocatable :: T, dot_T
|
||||
end type tDataContainer
|
||||
|
||||
type(tDataContainer), dimension(:), allocatable :: current
|
||||
|
@ -51,7 +51,7 @@ module subroutine thermal_init()
|
|||
|
||||
do ho = 1, configHomogenizations%length
|
||||
allocate(current(ho)%T(count(material_ID_homogenization==ho)), source=T_ROOM)
|
||||
allocate(current(ho)%dot_T(count(material_ID_homogenization==ho)), source=0.0_pReal)
|
||||
allocate(current(ho)%dot_T(count(material_ID_homogenization==ho)), source=0.0_pREAL)
|
||||
configHomogenization => configHomogenizations%get_dict(ho)
|
||||
associate(prm => param(ho))
|
||||
|
||||
|
@ -100,7 +100,7 @@ module subroutine thermal_partition(ce)
|
|||
|
||||
integer, intent(in) :: ce
|
||||
|
||||
real(pReal) :: T, dot_T
|
||||
real(pREAL) :: T, dot_T
|
||||
integer :: co
|
||||
|
||||
|
||||
|
@ -119,7 +119,7 @@ end subroutine thermal_partition
|
|||
module function homogenization_mu_T(ce) result(mu)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
|
||||
integer :: co
|
||||
|
||||
|
@ -138,7 +138,7 @@ end function homogenization_mu_T
|
|||
module function homogenization_K_T(ce) result(K)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), dimension(3,3) :: K
|
||||
real(pREAL), dimension(3,3) :: K
|
||||
|
||||
integer :: co
|
||||
|
||||
|
@ -157,7 +157,7 @@ end function homogenization_K_T
|
|||
module function homogenization_f_T(ce) result(f)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal) :: f
|
||||
real(pREAL) :: f
|
||||
|
||||
integer :: co
|
||||
|
||||
|
@ -176,7 +176,7 @@ end function homogenization_f_T
|
|||
module subroutine homogenization_thermal_setField(T,dot_T, ce)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), intent(in) :: T, dot_T
|
||||
real(pREAL), intent(in) :: T, dot_T
|
||||
|
||||
|
||||
current(material_ID_homogenization(ce))%T(material_entry_homogenization(ce)) = T
|
||||
|
|
382
src/lattice.f90
382
src/lattice.f90
|
@ -38,7 +38,7 @@ module lattice
|
|||
CF_NTRANS = sum(CF_NTRANSSYSTEM), & !< total # of transformation systems for cF
|
||||
CF_NCLEAVAGE = sum(CF_NCLEAVAGESYSTEM) !< total # of cleavage systems for cF
|
||||
|
||||
real(pReal), dimension(3+3,CF_NSLIP), parameter :: &
|
||||
real(pREAL), dimension(3+3,CF_NSLIP), parameter :: &
|
||||
CF_SYSTEMSLIP = reshape(real([&
|
||||
! <110>{111} systems
|
||||
0, 1,-1, 1, 1, 1, & ! B2
|
||||
|
@ -60,9 +60,9 @@ module lattice
|
|||
1, 0,-1, 1, 0, 1, &
|
||||
0, 1, 1, 0, 1,-1, &
|
||||
0, 1,-1, 0, 1, 1 &
|
||||
],pReal),shape(CF_SYSTEMSLIP)) !< cF slip systems
|
||||
],pREAL),shape(CF_SYSTEMSLIP)) !< cF slip systems
|
||||
|
||||
real(pReal), dimension(3+3,CF_NTWIN), parameter :: &
|
||||
real(pREAL), dimension(3+3,CF_NTWIN), parameter :: &
|
||||
CF_SYSTEMTWIN = reshape(real( [&
|
||||
! <112>{111} systems
|
||||
-2, 1, 1, 1, 1, 1, &
|
||||
|
@ -77,7 +77,7 @@ module lattice
|
|||
2, 1,-1, -1, 1,-1, &
|
||||
-1,-2,-1, -1, 1,-1, &
|
||||
-1, 1, 2, -1, 1,-1 &
|
||||
],pReal),shape(CF_SYSTEMTWIN)) !< cF twin systems
|
||||
],pREAL),shape(CF_SYSTEMTWIN)) !< cF twin systems
|
||||
|
||||
integer, dimension(2,CF_NTWIN), parameter, public :: &
|
||||
lattice_CF_TWINNUCLEATIONSLIPPAIR = reshape( [&
|
||||
|
@ -95,13 +95,13 @@ module lattice
|
|||
10,11 &
|
||||
],shape(lattice_CF_TWINNUCLEATIONSLIPPAIR))
|
||||
|
||||
real(pReal), dimension(3+3,CF_NCLEAVAGE), parameter :: &
|
||||
real(pREAL), dimension(3+3,CF_NCLEAVAGE), parameter :: &
|
||||
CF_SYSTEMCLEAVAGE = reshape(real([&
|
||||
! <001>{001} systems
|
||||
0, 1, 0, 1, 0, 0, &
|
||||
0, 0, 1, 0, 1, 0, &
|
||||
1, 0, 0, 0, 0, 1 &
|
||||
],pReal),shape(CF_SYSTEMCLEAVAGE)) !< cF cleavage systems
|
||||
],pREAL),shape(CF_SYSTEMCLEAVAGE)) !< cF cleavage systems
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! cI: body centered cubic (bcc)
|
||||
|
@ -120,7 +120,7 @@ module lattice
|
|||
CI_NTWIN = sum(CI_NTWINSYSTEM), & !< total # of twin systems for cI
|
||||
CI_NCLEAVAGE = sum(CI_NCLEAVAGESYSTEM) !< total # of cleavage systems for cI
|
||||
|
||||
real(pReal), dimension(3+3,CI_NSLIP), parameter :: &
|
||||
real(pREAL), dimension(3+3,CI_NSLIP), parameter :: &
|
||||
CI_SYSTEMSLIP = reshape(real([&
|
||||
! <111>{110} systems
|
||||
1,-1, 1, 0, 1, 1, & ! D1
|
||||
|
@ -173,9 +173,9 @@ module lattice
|
|||
1, 1, 1, -3, 2, 1, &
|
||||
1, 1,-1, 3,-2, 1, &
|
||||
1,-1, 1, 3, 2,-1 &
|
||||
],pReal),shape(CI_SYSTEMSLIP)) !< cI slip systems
|
||||
],pREAL),shape(CI_SYSTEMSLIP)) !< cI slip systems
|
||||
|
||||
real(pReal), dimension(3+3,CI_NTWIN), parameter :: &
|
||||
real(pREAL), dimension(3+3,CI_NTWIN), parameter :: &
|
||||
CI_SYSTEMTWIN = reshape(real([&
|
||||
! <111>{112} systems
|
||||
-1, 1, 1, 2, 1, 1, &
|
||||
|
@ -190,15 +190,15 @@ module lattice
|
|||
1,-1, 1, -1, 1, 2, &
|
||||
-1, 1, 1, 1,-1, 2, &
|
||||
1, 1, 1, 1, 1,-2 &
|
||||
],pReal),shape(CI_SYSTEMTWIN)) !< cI twin systems
|
||||
],pREAL),shape(CI_SYSTEMTWIN)) !< cI twin systems
|
||||
|
||||
real(pReal), dimension(3+3,CI_NCLEAVAGE), parameter :: &
|
||||
real(pREAL), dimension(3+3,CI_NCLEAVAGE), parameter :: &
|
||||
CI_SYSTEMCLEAVAGE = reshape(real([&
|
||||
! <001>{001} systems
|
||||
0, 1, 0, 1, 0, 0, &
|
||||
0, 0, 1, 0, 1, 0, &
|
||||
1, 0, 0, 0, 0, 1 &
|
||||
],pReal),shape(CI_SYSTEMCLEAVAGE)) !< cI cleavage systems
|
||||
],pREAL),shape(CI_SYSTEMCLEAVAGE)) !< cI cleavage systems
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! hP: hexagonal [close packed] (hex, hcp)
|
||||
|
@ -213,7 +213,7 @@ module lattice
|
|||
HP_NSLIP = sum(HP_NSLIPSYSTEM), & !< total # of slip systems for hP
|
||||
HP_NTWIN = sum(HP_NTWINSYSTEM) !< total # of twin systems for hP
|
||||
|
||||
real(pReal), dimension(4+4,HP_NSLIP), parameter :: &
|
||||
real(pREAL), dimension(4+4,HP_NSLIP), parameter :: &
|
||||
HP_SYSTEMSLIP = reshape(real([&
|
||||
! <-1-1.0>{00.1}/basal systems (independent of c/a-ratio)
|
||||
2, -1, -1, 0, 0, 0, 0, 1, &
|
||||
|
@ -250,9 +250,9 @@ module lattice
|
|||
1, 1, -2, 3, -1, -1, 2, 2, &
|
||||
-1, 2, -1, 3, 1, -2, 1, 2, &
|
||||
-2, 1, 1, 3, 2, -1, -1, 2 &
|
||||
],pReal),shape(HP_SYSTEMSLIP)) !< hP slip systems, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
|
||||
],pREAL),shape(HP_SYSTEMSLIP)) !< hP slip systems, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
|
||||
|
||||
real(pReal), dimension(4+4,HP_NTWIN), parameter :: &
|
||||
real(pREAL), dimension(4+4,HP_NTWIN), parameter :: &
|
||||
HP_SYSTEMTWIN = reshape(real([&
|
||||
! <-10.1>{10.2} systems, shear = (3-(c/a)^2)/(sqrt(3) c/a)
|
||||
! tension in Co, Mg, Zr, Ti, and Be; compression in Cd and Zn
|
||||
|
@ -286,7 +286,7 @@ module lattice
|
|||
-1, -1, 2, -3, -1, -1, 2, 2, &
|
||||
1, -2, 1, -3, 1, -2, 1, 2, &
|
||||
2, -1, -1, -3, 2, -1, -1, 2 &
|
||||
],pReal),shape(HP_SYSTEMTWIN)) !< hP twin systems, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
|
||||
],pREAL),shape(HP_SYSTEMTWIN)) !< hP twin systems, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! tI: body centered tetragonal (bct)
|
||||
|
@ -297,7 +297,7 @@ module lattice
|
|||
integer, parameter :: &
|
||||
TI_NSLIP = sum(TI_NSLIPSYSTEM) !< total # of slip systems for tI
|
||||
|
||||
real(pReal), dimension(3+3,TI_NSLIP), parameter :: &
|
||||
real(pREAL), dimension(3+3,TI_NSLIP), parameter :: &
|
||||
TI_SYSTEMSLIP = reshape(real([&
|
||||
! {100)<001] systems
|
||||
0, 0, 1, 1, 0, 0, &
|
||||
|
@ -364,7 +364,7 @@ module lattice
|
|||
1,-1, 1, -2,-1, 1, &
|
||||
-1, 1, 1, -1,-2, 1, &
|
||||
1, 1, 1, 1,-2, 1 &
|
||||
],pReal),shape(TI_SYSTEMSLIP)) !< tI slip systems for c/a = 0.5456 (Sn), sorted by Bieler 2009 (https://doi.org/10.1007/s11664-009-0909-x)
|
||||
],pREAL),shape(TI_SYSTEMSLIP)) !< tI slip systems for c/a = 0.5456 (Sn), sorted by Bieler 2009 (https://doi.org/10.1007/s11664-009-0909-x)
|
||||
|
||||
|
||||
interface lattice_forestProjection_edge
|
||||
|
@ -424,8 +424,8 @@ function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character
|
|||
|
||||
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(sum(Ntwin)) :: characteristicShear
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(sum(Ntwin)) :: characteristicShear
|
||||
|
||||
integer :: &
|
||||
a, & !< index of active system
|
||||
|
@ -467,20 +467,20 @@ function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character
|
|||
a = a + 1
|
||||
select case(lattice)
|
||||
case('cF','cI')
|
||||
characteristicShear(a) = 0.5_pReal*sqrt(2.0_pReal)
|
||||
characteristicShear(a) = 0.5_pREAL*sqrt(2.0_pREAL)
|
||||
case('hP')
|
||||
if (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal) &
|
||||
if (cOverA < 1.0_pREAL .or. cOverA > 2.0_pREAL) &
|
||||
call IO_error(131,ext_msg='lattice_characteristicShear_Twin')
|
||||
p = sum(HP_NTWINSYSTEM(1:f-1))+s
|
||||
select case(HP_SHEARTWIN(p)) ! from Christian & Mahajan 1995 p.29
|
||||
case (1) ! <-10.1>{10.2}
|
||||
characteristicShear(a) = (3.0_pReal-cOverA**2)/sqrt(3.0_pReal)/CoverA
|
||||
characteristicShear(a) = (3.0_pREAL-cOverA**2)/sqrt(3.0_pREAL)/CoverA
|
||||
case (2) ! <11.6>{-1-1.1}
|
||||
characteristicShear(a) = 1.0_pReal/cOverA
|
||||
characteristicShear(a) = 1.0_pREAL/cOverA
|
||||
case (3) ! <10.-2>{10.1}
|
||||
characteristicShear(a) = (4.0_pReal*cOverA**2-9.0_pReal)/sqrt(48.0_pReal)/cOverA
|
||||
characteristicShear(a) = (4.0_pREAL*cOverA**2-9.0_pREAL)/sqrt(48.0_pREAL)/cOverA
|
||||
case (4) ! <11.-3>{11.2}
|
||||
characteristicShear(a) = 2.0_pReal*(cOverA**2-2.0_pReal)/3.0_pReal/cOverA
|
||||
characteristicShear(a) = 2.0_pREAL*(cOverA**2-2.0_pREAL)/3.0_pREAL/cOverA
|
||||
end select
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_characteristicShear_Twin: '//trim(lattice))
|
||||
|
@ -498,11 +498,11 @@ function lattice_C66_twin(Ntwin,C66,lattice,CoverA)
|
|||
|
||||
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), dimension(6,6), intent(in) :: C66 !< unrotated parent stiffness matrix
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(6,6,sum(Ntwin)) :: lattice_C66_twin
|
||||
real(pREAL), dimension(6,6), intent(in) :: C66 !< unrotated parent stiffness matrix
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(6,6,sum(Ntwin)) :: lattice_C66_twin
|
||||
|
||||
real(pReal), dimension(3,3,sum(Ntwin)):: coordinateSystem
|
||||
real(pREAL), dimension(3,3,sum(Ntwin)):: coordinateSystem
|
||||
type(tRotation) :: R
|
||||
integer :: i
|
||||
|
||||
|
@ -510,10 +510,10 @@ function lattice_C66_twin(Ntwin,C66,lattice,CoverA)
|
|||
select case(lattice)
|
||||
case('cF')
|
||||
coordinateSystem = buildCoordinateSystem(Ntwin,CF_NSLIPSYSTEM,CF_SYSTEMTWIN,&
|
||||
lattice,0.0_pReal)
|
||||
lattice,0.0_pREAL)
|
||||
case('cI')
|
||||
coordinateSystem = buildCoordinateSystem(Ntwin,CI_NSLIPSYSTEM,CI_SYSTEMTWIN,&
|
||||
lattice,0.0_pReal)
|
||||
lattice,0.0_pREAL)
|
||||
case('hP')
|
||||
coordinateSystem = buildCoordinateSystem(Ntwin,HP_NSLIPSYSTEM,HP_SYSTEMTWIN,&
|
||||
lattice,cOverA)
|
||||
|
@ -537,12 +537,12 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
|
|||
|
||||
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
|
||||
character(len=*), intent(in) :: lattice_target !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), dimension(6,6), intent(in) :: C_parent66
|
||||
real(pReal), optional, intent(in) :: cOverA_trans, a_cF, a_cI
|
||||
real(pReal), dimension(6,6,sum(Ntrans)) :: lattice_C66_trans
|
||||
real(pREAL), dimension(6,6), intent(in) :: C_parent66
|
||||
real(pREAL), optional, intent(in) :: cOverA_trans, a_cF, a_cI
|
||||
real(pREAL), dimension(6,6,sum(Ntrans)) :: lattice_C66_trans
|
||||
|
||||
real(pReal), dimension(6,6) :: C_bar66, C_target_unrotated66
|
||||
real(pReal), dimension(3,3,sum(Ntrans)) :: Q,S
|
||||
real(pREAL), dimension(6,6) :: C_bar66, C_target_unrotated66
|
||||
real(pREAL), dimension(3,3,sum(Ntrans)) :: Q,S
|
||||
type(tRotation) :: R
|
||||
integer :: i
|
||||
|
||||
|
@ -551,24 +551,24 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
|
|||
if (lattice_target == 'hP' .and. present(cOverA_trans)) then
|
||||
! https://doi.org/10.1063/1.1663858 eq. (16), eq. (18), eq. (19)
|
||||
! https://doi.org/10.1016/j.actamat.2016.07.032 eq. (47), eq. (48)
|
||||
if (cOverA_trans < 1.0_pReal .or. cOverA_trans > 2.0_pReal) &
|
||||
if (cOverA_trans < 1.0_pREAL .or. cOverA_trans > 2.0_pREAL) &
|
||||
call IO_error(131,ext_msg='lattice_C66_trans: '//trim(lattice_target))
|
||||
C_bar66(1,1) = (C_parent66(1,1) + C_parent66(1,2) + 2.0_pReal*C_parent66(4,4))/2.0_pReal
|
||||
C_bar66(1,2) = (C_parent66(1,1) + 5.0_pReal*C_parent66(1,2) - 2.0_pReal*C_parent66(4,4))/6.0_pReal
|
||||
C_bar66(3,3) = (C_parent66(1,1) + 2.0_pReal*C_parent66(1,2) + 4.0_pReal*C_parent66(4,4))/3.0_pReal
|
||||
C_bar66(1,3) = (C_parent66(1,1) + 2.0_pReal*C_parent66(1,2) - 2.0_pReal*C_parent66(4,4))/3.0_pReal
|
||||
C_bar66(4,4) = (C_parent66(1,1) - C_parent66(1,2) + C_parent66(4,4))/3.0_pReal
|
||||
C_bar66(1,4) = (C_parent66(1,1) - C_parent66(1,2) - 2.0_pReal*C_parent66(4,4)) /(3.0_pReal*sqrt(2.0_pReal))
|
||||
C_bar66(1,1) = (C_parent66(1,1) + C_parent66(1,2) + 2.0_pREAL*C_parent66(4,4))/2.0_pREAL
|
||||
C_bar66(1,2) = (C_parent66(1,1) + 5.0_pREAL*C_parent66(1,2) - 2.0_pREAL*C_parent66(4,4))/6.0_pREAL
|
||||
C_bar66(3,3) = (C_parent66(1,1) + 2.0_pREAL*C_parent66(1,2) + 4.0_pREAL*C_parent66(4,4))/3.0_pREAL
|
||||
C_bar66(1,3) = (C_parent66(1,1) + 2.0_pREAL*C_parent66(1,2) - 2.0_pREAL*C_parent66(4,4))/3.0_pREAL
|
||||
C_bar66(4,4) = (C_parent66(1,1) - C_parent66(1,2) + C_parent66(4,4))/3.0_pREAL
|
||||
C_bar66(1,4) = (C_parent66(1,1) - C_parent66(1,2) - 2.0_pREAL*C_parent66(4,4)) /(3.0_pREAL*sqrt(2.0_pREAL))
|
||||
|
||||
C_target_unrotated66 = 0.0_pReal
|
||||
C_target_unrotated66 = 0.0_pREAL
|
||||
C_target_unrotated66(1,1) = C_bar66(1,1) - C_bar66(1,4)**2/C_bar66(4,4)
|
||||
C_target_unrotated66(1,2) = C_bar66(1,2) + C_bar66(1,4)**2/C_bar66(4,4)
|
||||
C_target_unrotated66(1,3) = C_bar66(1,3)
|
||||
C_target_unrotated66(3,3) = C_bar66(3,3)
|
||||
C_target_unrotated66(4,4) = C_bar66(4,4) - C_bar66(1,4)**2/(0.5_pReal*(C_bar66(1,1) - C_bar66(1,2)))
|
||||
C_target_unrotated66(4,4) = C_bar66(4,4) - C_bar66(1,4)**2/(0.5_pREAL*(C_bar66(1,1) - C_bar66(1,2)))
|
||||
C_target_unrotated66 = lattice_symmetrize_C66(C_target_unrotated66,'hP')
|
||||
elseif (lattice_target == 'cI' .and. present(a_cF) .and. present(a_cI)) then
|
||||
if (a_cI <= 0.0_pReal .or. a_cF <= 0.0_pReal) &
|
||||
if (a_cI <= 0.0_pREAL .or. a_cF <= 0.0_pREAL) &
|
||||
call IO_error(134,ext_msg='lattice_C66_trans: '//trim(lattice_target))
|
||||
C_target_unrotated66 = C_parent66
|
||||
else
|
||||
|
@ -598,26 +598,26 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
|
|||
function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSchmidMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
real(pReal), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections
|
||||
real(pREAL), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections
|
||||
integer, intent(in) :: sense !< sense (-1,+1)
|
||||
real(pReal), dimension(1:3,1:3,sum(Nslip)) :: nonSchmidMatrix
|
||||
real(pREAL), dimension(1:3,1:3,sum(Nslip)) :: nonSchmidMatrix
|
||||
|
||||
real(pReal), dimension(1:3,1:3,sum(Nslip)) :: coordinateSystem !< coordinate system of slip system
|
||||
real(pReal), dimension(3) :: direction, normal, np
|
||||
real(pREAL), dimension(1:3,1:3,sum(Nslip)) :: coordinateSystem !< coordinate system of slip system
|
||||
real(pREAL), dimension(3) :: direction, normal, np
|
||||
type(tRotation) :: R
|
||||
integer :: i
|
||||
|
||||
|
||||
if (abs(sense) /= 1) error stop 'Sense in lattice_nonSchmidMatrix'
|
||||
|
||||
coordinateSystem = buildCoordinateSystem(Nslip,CI_NSLIPSYSTEM,CI_SYSTEMSLIP,'cI',0.0_pReal)
|
||||
coordinateSystem(1:3,1,1:sum(Nslip)) = coordinateSystem(1:3,1,1:sum(Nslip))*real(sense,pReal) ! convert unidirectional coordinate system
|
||||
nonSchmidMatrix = lattice_SchmidMatrix_slip(Nslip,'cI',0.0_pReal) ! Schmid contribution
|
||||
coordinateSystem = buildCoordinateSystem(Nslip,CI_NSLIPSYSTEM,CI_SYSTEMSLIP,'cI',0.0_pREAL)
|
||||
coordinateSystem(1:3,1,1:sum(Nslip)) = coordinateSystem(1:3,1,1:sum(Nslip))*real(sense,pREAL) ! convert unidirectional coordinate system
|
||||
nonSchmidMatrix = lattice_SchmidMatrix_slip(Nslip,'cI',0.0_pREAL) ! Schmid contribution
|
||||
|
||||
do i = 1,sum(Nslip)
|
||||
direction = coordinateSystem(1:3,1,i)
|
||||
normal = coordinateSystem(1:3,2,i)
|
||||
call R%fromAxisAngle([direction,60.0_pReal],degrees=.true.,P=1)
|
||||
call R%fromAxisAngle([direction,60.0_pREAL],degrees=.true.,P=1)
|
||||
np = R%rotate(normal)
|
||||
|
||||
if (size(nonSchmidCoefficients)>0) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
|
||||
|
@ -647,9 +647,9 @@ end function lattice_nonSchmidMatrix
|
|||
function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction
|
||||
real(pREAL), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), dimension(sum(Nslip),sum(Nslip)) :: interactionMatrix
|
||||
real(pREAL), dimension(sum(Nslip),sum(Nslip)) :: interactionMatrix
|
||||
|
||||
integer, dimension(:), allocatable :: NslipMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
@ -965,9 +965,9 @@ end function lattice_interaction_SlipBySlip
|
|||
function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
|
||||
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
|
||||
real(pREAL), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), dimension(sum(Ntwin),sum(Ntwin)) :: interactionMatrix
|
||||
real(pREAL), dimension(sum(Ntwin),sum(Ntwin)) :: interactionMatrix
|
||||
|
||||
integer, dimension(:), allocatable :: NtwinMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
@ -1064,9 +1064,9 @@ end function lattice_interaction_TwinByTwin
|
|||
function lattice_interaction_TransByTrans(Ntrans,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ntrans !< number of active trans systems per family
|
||||
real(pReal), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction
|
||||
real(pREAL), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction
|
||||
character(len=*), intent(in) :: lattice !<Bravais lattice (Pearson symbol) (parent crystal)
|
||||
real(pReal), dimension(sum(Ntrans),sum(Ntrans)) :: interactionMatrix
|
||||
real(pREAL), dimension(sum(Ntrans),sum(Ntrans)) :: interactionMatrix
|
||||
|
||||
integer, dimension(:), allocatable :: NtransMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
@ -1107,9 +1107,9 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) r
|
|||
|
||||
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
|
||||
Ntwin !< number of active twin systems per family
|
||||
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-twin interaction
|
||||
real(pREAL), dimension(:), intent(in) :: interactionValues !< values for slip-twin interaction
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), dimension(sum(Nslip),sum(Ntwin)) :: interactionMatrix
|
||||
real(pREAL), dimension(sum(Nslip),sum(Ntwin)) :: interactionMatrix
|
||||
|
||||
integer, dimension(:), allocatable :: NslipMax, &
|
||||
NtwinMax
|
||||
|
@ -1267,9 +1267,9 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,lattice)
|
|||
|
||||
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
|
||||
Ntrans !< number of active trans systems per family
|
||||
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-trans interaction
|
||||
real(pREAL), dimension(:), intent(in) :: interactionValues !< values for slip-trans interaction
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol) (parent crystal)
|
||||
real(pReal), dimension(sum(Nslip),sum(Ntrans)) :: interactionMatrix
|
||||
real(pREAL), dimension(sum(Nslip),sum(Ntrans)) :: interactionMatrix
|
||||
|
||||
integer, dimension(:), allocatable :: NslipMax, &
|
||||
NtransMax
|
||||
|
@ -1320,9 +1320,9 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,lattice) r
|
|||
|
||||
integer, dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family
|
||||
Nslip !< number of active slip systems per family
|
||||
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
|
||||
real(pREAL), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), dimension(sum(Ntwin),sum(Nslip)) :: interactionMatrix
|
||||
real(pREAL), dimension(sum(Ntwin),sum(Nslip)) :: interactionMatrix
|
||||
|
||||
integer, dimension(:), allocatable :: NtwinMax, &
|
||||
NslipMax
|
||||
|
@ -1396,11 +1396,11 @@ function lattice_SchmidMatrix_slip(Nslip,lattice,cOverA) result(SchmidMatrix)
|
|||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA
|
||||
real(pReal), dimension(3,3,sum(Nslip)) :: SchmidMatrix
|
||||
real(pREAL), intent(in) :: cOverA
|
||||
real(pREAL), dimension(3,3,sum(Nslip)) :: SchmidMatrix
|
||||
|
||||
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
real(pReal), dimension(:,:), allocatable :: slipSystems
|
||||
real(pREAL), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
real(pREAL), dimension(:,:), allocatable :: slipSystems
|
||||
integer, dimension(:), allocatable :: NslipMax
|
||||
integer :: i
|
||||
|
||||
|
@ -1446,11 +1446,11 @@ function lattice_SchmidMatrix_twin(Ntwin,lattice,cOverA) result(SchmidMatrix)
|
|||
|
||||
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(3,3,sum(Ntwin)) :: SchmidMatrix
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(3,3,sum(Ntwin)) :: SchmidMatrix
|
||||
|
||||
real(pReal), dimension(3,3,sum(Ntwin)) :: coordinateSystem
|
||||
real(pReal), dimension(:,:), allocatable :: twinSystems
|
||||
real(pREAL), dimension(3,3,sum(Ntwin)) :: coordinateSystem
|
||||
real(pREAL), dimension(:,:), allocatable :: twinSystems
|
||||
integer, dimension(:), allocatable :: NtwinMax
|
||||
integer :: i
|
||||
|
||||
|
@ -1493,18 +1493,18 @@ function lattice_SchmidMatrix_trans(Ntrans,lattice_target,cOverA,a_cF,a_cI) resu
|
|||
|
||||
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
|
||||
character(len=*), intent(in) :: lattice_target !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), optional, intent(in) :: cOverA, a_cI, a_cF
|
||||
real(pReal), dimension(3,3,sum(Ntrans)) :: SchmidMatrix
|
||||
real(pREAL), optional, intent(in) :: cOverA, a_cI, a_cF
|
||||
real(pREAL), dimension(3,3,sum(Ntrans)) :: SchmidMatrix
|
||||
|
||||
real(pReal), dimension(3,3,sum(Ntrans)) :: devNull
|
||||
real(pREAL), dimension(3,3,sum(Ntrans)) :: devNull
|
||||
|
||||
|
||||
if (lattice_target == 'hP' .and. present(cOverA)) then
|
||||
if (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal) &
|
||||
if (cOverA < 1.0_pREAL .or. cOverA > 2.0_pREAL) &
|
||||
call IO_error(131,ext_msg='lattice_SchmidMatrix_trans: '//trim(lattice_target))
|
||||
call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,cOverA=cOverA)
|
||||
else if (lattice_target == 'cI' .and. present(a_cF) .and. present(a_cI)) then
|
||||
if (a_cI <= 0.0_pReal .or. a_cF <= 0.0_pReal) &
|
||||
if (a_cI <= 0.0_pREAL .or. a_cF <= 0.0_pREAL) &
|
||||
call IO_error(134,ext_msg='lattice_SchmidMatrix_trans: '//trim(lattice_target))
|
||||
call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,a_cF=a_cF,a_cI=a_cI)
|
||||
else
|
||||
|
@ -1522,11 +1522,11 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,lattice,cOverA) result(SchmidMa
|
|||
|
||||
integer, dimension(:), intent(in) :: Ncleavage !< number of active cleavage systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(3,3,3,sum(Ncleavage)) :: SchmidMatrix
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(3,3,3,sum(Ncleavage)) :: SchmidMatrix
|
||||
|
||||
real(pReal), dimension(3,3,sum(Ncleavage)) :: coordinateSystem
|
||||
real(pReal), dimension(:,:), allocatable :: cleavageSystems
|
||||
real(pREAL), dimension(3,3,sum(Ncleavage)) :: coordinateSystem
|
||||
real(pREAL), dimension(:,:), allocatable :: cleavageSystems
|
||||
integer, dimension(:), allocatable :: NcleavageMax
|
||||
integer :: i
|
||||
|
||||
|
@ -1565,10 +1565,10 @@ function lattice_slip_direction(Nslip,lattice,cOverA) result(d)
|
|||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(3,sum(Nslip)) :: d
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(3,sum(Nslip)) :: d
|
||||
|
||||
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
real(pREAL), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
|
||||
coordinateSystem = coordinateSystem_slip(Nslip,lattice,cOverA)
|
||||
d = coordinateSystem(1:3,1,1:sum(Nslip))
|
||||
|
@ -1583,10 +1583,10 @@ function lattice_slip_normal(Nslip,lattice,cOverA) result(n)
|
|||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(3,sum(Nslip)) :: n
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(3,sum(Nslip)) :: n
|
||||
|
||||
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
real(pREAL), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
|
||||
coordinateSystem = coordinateSystem_slip(Nslip,lattice,cOverA)
|
||||
n = coordinateSystem(1:3,2,1:sum(Nslip))
|
||||
|
@ -1601,10 +1601,10 @@ function lattice_slip_transverse(Nslip,lattice,cOverA) result(t)
|
|||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(3,sum(Nslip)) :: t
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(3,sum(Nslip)) :: t
|
||||
|
||||
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
real(pREAL), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
|
||||
coordinateSystem = coordinateSystem_slip(Nslip,lattice,cOverA)
|
||||
t = coordinateSystem(1:3,3,1:sum(Nslip))
|
||||
|
@ -1623,7 +1623,7 @@ function lattice_labels_slip(Nslip,lattice) result(labels)
|
|||
|
||||
character(len=:), dimension(:), allocatable :: labels
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: slipSystems
|
||||
real(pREAL), dimension(:,:), allocatable :: slipSystems
|
||||
integer, dimension(:), allocatable :: NslipMax
|
||||
|
||||
select case(lattice)
|
||||
|
@ -1658,13 +1658,13 @@ end function lattice_labels_slip
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_symmetrize_33(T,lattice) result(T_sym)
|
||||
|
||||
real(pReal), dimension(3,3) :: T_sym
|
||||
real(pREAL), dimension(3,3) :: T_sym
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: T
|
||||
real(pREAL), dimension(3,3), intent(in) :: T
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
||||
|
||||
T_sym = 0.0_pReal
|
||||
T_sym = 0.0_pREAL
|
||||
|
||||
select case(lattice)
|
||||
case('cF','cI')
|
||||
|
@ -1686,15 +1686,15 @@ end function lattice_symmetrize_33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_symmetrize_C66(C66,lattice) result(C66_sym)
|
||||
|
||||
real(pReal), dimension(6,6) :: C66_sym
|
||||
real(pREAL), dimension(6,6) :: C66_sym
|
||||
|
||||
real(pReal), dimension(6,6), intent(in) :: C66
|
||||
real(pREAL), dimension(6,6), intent(in) :: C66
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
||||
integer :: i,j
|
||||
|
||||
|
||||
C66_sym = 0.0_pReal
|
||||
C66_sym = 0.0_pREAL
|
||||
|
||||
select case(lattice)
|
||||
case ('cF','cI')
|
||||
|
@ -1707,7 +1707,7 @@ pure function lattice_symmetrize_C66(C66,lattice) result(C66_sym)
|
|||
C66_sym(1,2) = C66(1,2)
|
||||
C66_sym(1,3) = C66(1,3); C66_sym(2,3) = C66(1,3)
|
||||
C66_sym(4,4) = C66(4,4); C66_sym(5,5) = C66(4,4)
|
||||
C66_sym(6,6) = 0.5_pReal*(C66(1,1)-C66(1,2))
|
||||
C66_sym(6,6) = 0.5_pREAL*(C66(1,1)-C66(1,2))
|
||||
case ('tI')
|
||||
C66_sym(1,1) = C66(1,1); C66_sym(2,2) = C66(1,1)
|
||||
C66_sym(3,3) = C66(3,3)
|
||||
|
@ -1737,7 +1737,7 @@ function lattice_labels_twin(Ntwin,lattice) result(labels)
|
|||
|
||||
character(len=:), dimension(:), allocatable :: labels
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: twinSystems
|
||||
real(pREAL), dimension(:,:), allocatable :: twinSystems
|
||||
integer, dimension(:), allocatable :: NtwinMax
|
||||
|
||||
select case(lattice)
|
||||
|
@ -1772,10 +1772,10 @@ function slipProjection_transverse(Nslip,lattice,cOverA) result(projection)
|
|||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(sum(Nslip),sum(Nslip)) :: projection
|
||||
|
||||
real(pReal), dimension(3,sum(Nslip)) :: n, t
|
||||
real(pREAL), dimension(3,sum(Nslip)) :: n, t
|
||||
integer :: i, j
|
||||
|
||||
n = lattice_slip_normal (Nslip,lattice,cOverA)
|
||||
|
@ -1796,10 +1796,10 @@ function slipProjection_direction(Nslip,lattice,cOverA) result(projection)
|
|||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(sum(Nslip),sum(Nslip)) :: projection
|
||||
|
||||
real(pReal), dimension(3,sum(Nslip)) :: n, d
|
||||
real(pREAL), dimension(3,sum(Nslip)) :: n, d
|
||||
integer :: i, j
|
||||
|
||||
n = lattice_slip_normal (Nslip,lattice,cOverA)
|
||||
|
@ -1820,10 +1820,10 @@ function coordinateSystem_slip(Nslip,lattice,cOverA) result(coordinateSystem)
|
|||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
real(pREAL), intent(in) :: cOverA !< c/a ratio
|
||||
real(pREAL), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: slipSystems
|
||||
real(pREAL), dimension(:,:), allocatable :: slipSystems
|
||||
integer, dimension(:), allocatable :: NslipMax
|
||||
|
||||
select case(lattice)
|
||||
|
@ -1864,9 +1864,9 @@ function buildInteraction(reacting_used,acting_used,reacting_max,acting_max,valu
|
|||
acting_used, & !< # of acting systems per family as specified in material.config
|
||||
reacting_max, & !< max # of reacting systems per family for given lattice
|
||||
acting_max !< max # of acting systems per family for given lattice
|
||||
real(pReal), dimension(:), intent(in) :: values !< interaction values
|
||||
real(pREAL), dimension(:), intent(in) :: values !< interaction values
|
||||
integer, dimension(:,:), intent(in) :: matrix !< interaction types
|
||||
real(pReal), dimension(sum(reacting_used),sum(acting_used)) :: buildInteraction
|
||||
real(pREAL), dimension(sum(reacting_used),sum(acting_used)) :: buildInteraction
|
||||
|
||||
integer :: &
|
||||
acting_family_index, acting_family, acting_system, &
|
||||
|
@ -1906,16 +1906,16 @@ function buildCoordinateSystem(active,potential,system,lattice,cOverA)
|
|||
integer, dimension(:), intent(in) :: &
|
||||
active, & !< # of active systems per family
|
||||
potential !< # of potential systems per family
|
||||
real(pReal), dimension(:,:), intent(in) :: &
|
||||
real(pREAL), dimension(:,:), intent(in) :: &
|
||||
system
|
||||
character(len=*), intent(in) :: &
|
||||
lattice !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
cOverA
|
||||
real(pReal), dimension(3,3,sum(active)) :: &
|
||||
real(pREAL), dimension(3,3,sum(active)) :: &
|
||||
buildCoordinateSystem
|
||||
|
||||
real(pReal), dimension(3) :: &
|
||||
real(pREAL), dimension(3) :: &
|
||||
direction, normal
|
||||
integer :: &
|
||||
a, & !< index of active system
|
||||
|
@ -1923,9 +1923,9 @@ function buildCoordinateSystem(active,potential,system,lattice,cOverA)
|
|||
f, & !< index of my family
|
||||
s !< index of my system in current family
|
||||
|
||||
if (lattice == 'tI' .and. cOverA > 2.0_pReal) &
|
||||
if (lattice == 'tI' .and. cOverA > 2.0_pREAL) &
|
||||
call IO_error(131,ext_msg='buildCoordinateSystem:'//trim(lattice))
|
||||
if (lattice == 'hP' .and. (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal)) &
|
||||
if (lattice == 'hP' .and. (cOverA < 1.0_pREAL .or. cOverA > 2.0_pREAL)) &
|
||||
call IO_error(131,ext_msg='buildCoordinateSystem:'//trim(lattice))
|
||||
|
||||
a = 0
|
||||
|
@ -1941,11 +1941,11 @@ function buildCoordinateSystem(active,potential,system,lattice,cOverA)
|
|||
normal = system(4:6,p)
|
||||
|
||||
case ('hP')
|
||||
direction = [ system(1,p)*1.5_pReal, &
|
||||
(system(1,p)+2.0_pReal*system(2,p))*sqrt(0.75_pReal), &
|
||||
direction = [ system(1,p)*1.5_pREAL, &
|
||||
(system(1,p)+2.0_pREAL*system(2,p))*sqrt(0.75_pREAL), &
|
||||
system(4,p)*cOverA ] ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(p/a)])
|
||||
normal = [ system(5,p), &
|
||||
(system(5,p)+2.0_pReal*system(6,p))/sqrt(3.0_pReal), &
|
||||
(system(5,p)+2.0_pREAL*system(6,p))/sqrt(3.0_pREAL), &
|
||||
system(8,p)/cOverA ] ! plane (hkil)->(h (h+2k)/sqrt(3) l/(p/a))
|
||||
|
||||
case default
|
||||
|
@ -1974,10 +1974,10 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_cF,a_cI)
|
|||
|
||||
integer, dimension(:), intent(in) :: &
|
||||
Ntrans
|
||||
real(pReal), dimension(3,3,sum(Ntrans)), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,sum(Ntrans)), intent(out) :: &
|
||||
Q, & !< Total rotation: Q = R*B
|
||||
S !< Eigendeformation tensor for phase transformation
|
||||
real(pReal), optional, intent(in) :: &
|
||||
real(pREAL), optional, intent(in) :: &
|
||||
cOverA, & !< c/a for target hP lattice
|
||||
a_cF, & !< lattice parameter a for cF target lattice
|
||||
a_cI !< lattice parameter a for cI parent lattice
|
||||
|
@ -1985,14 +1985,14 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_cF,a_cI)
|
|||
type(tRotation) :: &
|
||||
R, & !< Pitsch rotation
|
||||
B !< Rotation of cF to Bain coordinate system
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
U, & !< Bain deformation
|
||||
ss, sd
|
||||
real(pReal), dimension(3) :: &
|
||||
real(pREAL), dimension(3) :: &
|
||||
x, y, z
|
||||
integer :: &
|
||||
i
|
||||
real(pReal), dimension(3+3,CF_NTRANS), parameter :: &
|
||||
real(pREAL), dimension(3+3,CF_NTRANS), parameter :: &
|
||||
CFTOHP_SYSTEMTRANS = reshape(real( [&
|
||||
-2, 1, 1, 1, 1, 1, &
|
||||
1,-2, 1, 1, 1, 1, &
|
||||
|
@ -2006,9 +2006,9 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_cF,a_cI)
|
|||
2, 1,-1, -1, 1,-1, &
|
||||
-1,-2,-1, -1, 1,-1, &
|
||||
-1, 1, 2, -1, 1,-1 &
|
||||
],pReal),shape(CFTOHP_SYSTEMTRANS))
|
||||
],pREAL),shape(CFTOHP_SYSTEMTRANS))
|
||||
|
||||
real(pReal), dimension(4,cF_Ntrans), parameter :: &
|
||||
real(pREAL), dimension(4,cF_Ntrans), parameter :: &
|
||||
CFTOCI_SYSTEMTRANS = real(reshape([&
|
||||
0.0, 1.0, 0.0, 10.26, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
|
||||
0.0,-1.0, 0.0, 10.26, &
|
||||
|
@ -2022,7 +2022,7 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_cF,a_cI)
|
|||
-1.0, 0.0, 0.0, 10.26, &
|
||||
0.0, 1.0, 0.0, 10.26, &
|
||||
0.0,-1.0, 0.0, 10.26 &
|
||||
],shape(CFTOCI_SYSTEMTRANS)),pReal)
|
||||
],shape(CFTOCI_SYSTEMTRANS)),pREAL)
|
||||
|
||||
integer, dimension(9,cF_Ntrans), parameter :: &
|
||||
CFTOCI_BAINVARIANT = reshape( [&
|
||||
|
@ -2040,7 +2040,7 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_cF,a_cI)
|
|||
0, 0, 1, 1, 0, 0, 0, 1, 0 &
|
||||
],shape(CFTOCI_BAINVARIANT))
|
||||
|
||||
real(pReal), dimension(4,cF_Ntrans), parameter :: &
|
||||
real(pREAL), dimension(4,cF_Ntrans), parameter :: &
|
||||
CFTOCI_BAINROT = real(reshape([&
|
||||
1.0, 0.0, 0.0, 45.0, & ! Rotate cF austensite to bain variant
|
||||
1.0, 0.0, 0.0, 45.0, &
|
||||
|
@ -2054,25 +2054,25 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_cF,a_cI)
|
|||
0.0, 0.0, 1.0, 45.0, &
|
||||
0.0, 0.0, 1.0, 45.0, &
|
||||
0.0, 0.0, 1.0, 45.0 &
|
||||
],shape(CFTOCI_BAINROT)),pReal)
|
||||
],shape(CFTOCI_BAINROT)),pREAL)
|
||||
|
||||
if (present(a_cI) .and. present(a_cF)) then
|
||||
do i = 1,sum(Ntrans)
|
||||
call R%fromAxisAngle(CFTOCI_SYSTEMTRANS(:,i),degrees=.true.,P=1)
|
||||
call B%fromAxisAngle(CFTOCI_BAINROT(:,i), degrees=.true.,P=1)
|
||||
x = real(CFTOCI_BAINVARIANT(1:3,i),pReal)
|
||||
y = real(CFTOCI_BAINVARIANT(4:6,i),pReal)
|
||||
z = real(CFTOCI_BAINVARIANT(7:9,i),pReal)
|
||||
x = real(CFTOCI_BAINVARIANT(1:3,i),pREAL)
|
||||
y = real(CFTOCI_BAINVARIANT(4:6,i),pREAL)
|
||||
z = real(CFTOCI_BAINVARIANT(7:9,i),pREAL)
|
||||
|
||||
U = (a_cI/a_cF) * (math_outer(x,x) + (math_outer(y,y)+math_outer(z,z)) * sqrt(2.0_pReal))
|
||||
U = (a_cI/a_cF) * (math_outer(x,x) + (math_outer(y,y)+math_outer(z,z)) * sqrt(2.0_pREAL))
|
||||
Q(1:3,1:3,i) = matmul(R%asMatrix(),B%asMatrix())
|
||||
S(1:3,1:3,i) = matmul(R%asMatrix(),U) - MATH_I3
|
||||
end do
|
||||
else if (present(cOverA)) then
|
||||
ss = MATH_I3
|
||||
sd = MATH_I3
|
||||
ss(1,3) = sqrt(2.0_pReal)/4.0_pReal
|
||||
sd(3,3) = cOverA/sqrt(8.0_pReal/3.0_pReal)
|
||||
ss(1,3) = sqrt(2.0_pREAL)/4.0_pREAL
|
||||
sd(3,3) = cOverA/sqrt(8.0_pREAL/3.0_pREAL)
|
||||
|
||||
do i = 1,sum(Ntrans)
|
||||
x = CFTOHP_SYSTEMTRANS(1:3,i)/norm2(CFTOHP_SYSTEMTRANS(1:3,i))
|
||||
|
@ -2098,7 +2098,7 @@ function getlabels(active,potential,system) result(labels)
|
|||
integer, dimension(:), intent(in) :: &
|
||||
active, & !< # of active systems per family
|
||||
potential !< # of potential systems per family
|
||||
real(pReal), dimension(:,:), intent(in) :: &
|
||||
real(pREAL), dimension(:,:), intent(in) :: &
|
||||
system
|
||||
|
||||
character(len=:), dimension(:), allocatable :: labels
|
||||
|
@ -2152,28 +2152,28 @@ end function getlabels
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_isotropic_nu(C,assumption,lattice) result(nu)
|
||||
|
||||
real(pReal), dimension(6,6), intent(in) :: C !< Stiffness tensor (Voigt notation)
|
||||
real(pREAL), dimension(6,6), intent(in) :: C !< Stiffness tensor (Voigt notation)
|
||||
character(len=*), intent(in) :: assumption !< Assumption (isostrain = 'Voigt', isostress = 'Reuss')
|
||||
character(len=*), optional, intent(in) :: lattice
|
||||
real(pReal) :: nu
|
||||
real(pREAL) :: nu
|
||||
|
||||
real(pReal) :: K, mu
|
||||
real(pREAL) :: K, mu
|
||||
logical :: error
|
||||
real(pReal), dimension(6,6) :: S
|
||||
real(pREAL), dimension(6,6) :: S
|
||||
|
||||
|
||||
if (IO_lc(assumption) == 'isostrain') then
|
||||
K = sum(C(1:3,1:3)) / 9.0_pReal
|
||||
K = sum(C(1:3,1:3)) / 9.0_pREAL
|
||||
elseif (IO_lc(assumption) == 'isostress') then
|
||||
call math_invert(S,error,C)
|
||||
if (error) error stop 'matrix inversion failed'
|
||||
K = 1.0_pReal / sum(S(1:3,1:3))
|
||||
K = 1.0_pREAL / sum(S(1:3,1:3))
|
||||
else
|
||||
error stop 'invalid assumption'
|
||||
end if
|
||||
|
||||
mu = lattice_isotropic_mu(C,assumption,lattice)
|
||||
nu = (1.5_pReal*K-mu)/(3.0_pReal*K+mu)
|
||||
nu = (1.5_pREAL*K-mu)/(3.0_pREAL*K+mu)
|
||||
|
||||
end function lattice_isotropic_nu
|
||||
|
||||
|
@ -2185,36 +2185,36 @@ end function lattice_isotropic_nu
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_isotropic_mu(C,assumption,lattice) result(mu)
|
||||
|
||||
real(pReal), dimension(6,6), intent(in) :: C !< Stiffness tensor (Voigt notation)
|
||||
real(pREAL), dimension(6,6), intent(in) :: C !< Stiffness tensor (Voigt notation)
|
||||
character(len=*), intent(in) :: assumption !< Assumption (isostrain = 'Voigt', isostress = 'Reuss')
|
||||
character(len=*), optional, intent(in) :: lattice
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
|
||||
logical :: error
|
||||
real(pReal), dimension(6,6) :: S
|
||||
real(pREAL), dimension(6,6) :: S
|
||||
|
||||
|
||||
if (IO_lc(assumption) == 'isostrain') then
|
||||
select case(misc_optional(lattice,''))
|
||||
case('cF','cI')
|
||||
mu = ( C(1,1) - C(1,2) + C(4,4)*3.0_pReal) / 5.0_pReal
|
||||
mu = ( C(1,1) - C(1,2) + C(4,4)*3.0_pREAL) / 5.0_pREAL
|
||||
case default
|
||||
mu = ( C(1,1)+C(2,2)+C(3,3) &
|
||||
- C(1,2)-C(2,3)-C(1,3) &
|
||||
+(C(4,4)+C(5,5)+C(6,6)) * 3.0_pReal &
|
||||
) / 15.0_pReal
|
||||
+(C(4,4)+C(5,5)+C(6,6)) * 3.0_pREAL &
|
||||
) / 15.0_pREAL
|
||||
end select
|
||||
|
||||
elseif (IO_lc(assumption) == 'isostress') then
|
||||
select case(misc_optional(lattice,''))
|
||||
case('cF','cI')
|
||||
mu = 5.0_pReal &
|
||||
/ (4.0_pReal/(C(1,1)-C(1,2)) + 3.0_pReal/C(4,4))
|
||||
mu = 5.0_pREAL &
|
||||
/ (4.0_pREAL/(C(1,1)-C(1,2)) + 3.0_pREAL/C(4,4))
|
||||
case default
|
||||
call math_invert(S,error,C)
|
||||
if (error) error stop 'matrix inversion failed'
|
||||
mu = 15.0_pReal &
|
||||
/ (4.0_pReal*(S(1,1)+S(2,2)+S(3,3)-S(1,2)-S(2,3)-S(1,3)) + 3.0_pReal*(S(4,4)+S(5,5)+S(6,6)))
|
||||
mu = 15.0_pREAL &
|
||||
/ (4.0_pREAL*(S(1,1)+S(2,2)+S(3,3)-S(1,2)-S(2,3)-S(1,3)) + 3.0_pREAL*(S(4,4)+S(5,5)+S(6,6)))
|
||||
end select
|
||||
else
|
||||
error stop 'invalid assumption'
|
||||
|
@ -2228,20 +2228,20 @@ end function lattice_isotropic_mu
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine selfTest
|
||||
|
||||
real(pReal), dimension(:,:,:), allocatable :: CoSy
|
||||
real(pReal), dimension(:,:), allocatable :: system
|
||||
real(pREAL), dimension(:,:,:), allocatable :: CoSy
|
||||
real(pREAL), dimension(:,:), allocatable :: system
|
||||
|
||||
real(pReal), dimension(6,6) :: C, C_cF, C_cI, C_hP, C_tI
|
||||
real(pReal), dimension(3,3) :: T, T_cF, T_cI, T_hP, T_tI
|
||||
real(pReal), dimension(2) :: r
|
||||
real(pReal) :: lambda
|
||||
real(pREAL), dimension(6,6) :: C, C_cF, C_cI, C_hP, C_tI
|
||||
real(pREAL), dimension(3,3) :: T, T_cF, T_cI, T_hP, T_tI
|
||||
real(pREAL), dimension(2) :: r
|
||||
real(pREAL) :: lambda
|
||||
integer :: i
|
||||
|
||||
|
||||
call random_number(r)
|
||||
|
||||
system = reshape([1.0_pReal+r(1),0.0_pReal,0.0_pReal, 0.0_pReal,1.0_pReal+r(2),0.0_pReal],[6,1])
|
||||
CoSy = buildCoordinateSystem([1],[1],system,'cF',0.0_pReal)
|
||||
system = reshape([1.0_pREAL+r(1),0.0_pREAL,0.0_pREAL, 0.0_pREAL,1.0_pREAL+r(2),0.0_pREAL],[6,1])
|
||||
CoSy = buildCoordinateSystem([1],[1],system,'cF',0.0_pREAL)
|
||||
if (any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem'
|
||||
|
||||
do i = 1, 10
|
||||
|
@ -2274,9 +2274,9 @@ subroutine selfTest
|
|||
T_hP = lattice_symmetrize_33(T,'hP')
|
||||
T_tI = lattice_symmetrize_33(T,'tI')
|
||||
|
||||
if (any(dNeq0(T_cF) .and. math_I3<1.0_pReal)) error stop 'Symmetry33/c'
|
||||
if (any(dNeq0(T_hP) .and. math_I3<1.0_pReal)) error stop 'Symmetry33/hP'
|
||||
if (any(dNeq0(T_tI) .and. math_I3<1.0_pReal)) error stop 'Symmetry33/tI'
|
||||
if (any(dNeq0(T_cF) .and. math_I3<1.0_pREAL)) error stop 'Symmetry33/c'
|
||||
if (any(dNeq0(T_hP) .and. math_I3<1.0_pREAL)) error stop 'Symmetry33/hP'
|
||||
if (any(dNeq0(T_tI) .and. math_I3<1.0_pREAL)) error stop 'Symmetry33/tI'
|
||||
|
||||
if (any(dNeq(T(1,1),[T_cI(1,1),T_cI(2,2),T_cI(3,3)]))) error stop 'Symmetry33_11-22-33/c'
|
||||
if (any(dNeq(T(1,1),[T_hP(1,1),T_hP(2,2)]))) error stop 'Symmetry33_11-22/hP'
|
||||
|
@ -2285,52 +2285,52 @@ subroutine selfTest
|
|||
end do
|
||||
|
||||
call random_number(C)
|
||||
C(1,1) = C(1,1) + C(1,2) + 0.1_pReal
|
||||
C(1,1) = C(1,1) + C(1,2) + 0.1_pREAL
|
||||
C(1,3) = C(1,2)
|
||||
C(3,3) = C(1,1)
|
||||
C(4,4) = 0.5_pReal * (C(1,1) - C(1,2))
|
||||
C(4,4) = 0.5_pREAL * (C(1,1) - C(1,2))
|
||||
C(6,6) = C(4,4)
|
||||
|
||||
C_cI = lattice_symmetrize_C66(C,'cI')
|
||||
if (dNeq(C_cI(4,4),lattice_isotropic_mu(C_cI,'isostrain','cI'),1.0e-12_pReal)) error stop 'isotropic_mu/isostrain/cI'
|
||||
if (dNeq(C_cI(4,4),lattice_isotropic_mu(C_cI,'isostress','cI'),1.0e-12_pReal)) error stop 'isotropic_mu/isostress/cI'
|
||||
if (dNeq(C_cI(4,4),lattice_isotropic_mu(C_cI,'isostrain','cI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostrain/cI'
|
||||
if (dNeq(C_cI(4,4),lattice_isotropic_mu(C_cI,'isostress','cI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostress/cI'
|
||||
|
||||
lambda = C_cI(1,2)
|
||||
if (dNeq(lambda*0.5_pReal/(lambda+lattice_isotropic_mu(C_cI,'isostrain','cI')), &
|
||||
lattice_isotropic_nu(C_cI,'isostrain','cI'),1.0e-12_pReal)) error stop 'isotropic_nu/isostrain/cI'
|
||||
if (dNeq(lambda*0.5_pReal/(lambda+lattice_isotropic_mu(C_cI,'isostress','cI')), &
|
||||
lattice_isotropic_nu(C_cI,'isostress','cI'),1.0e-12_pReal)) error stop 'isotropic_nu/isostress/cI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_cI,'isostrain','cI')), &
|
||||
lattice_isotropic_nu(C_cI,'isostrain','cI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostrain/cI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_cI,'isostress','cI')), &
|
||||
lattice_isotropic_nu(C_cI,'isostress','cI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostress/cI'
|
||||
|
||||
|
||||
C_hP = lattice_symmetrize_C66(C,'hP')
|
||||
if (dNeq(C(4,4),lattice_isotropic_mu(C_hP,'isostrain','hP'),1.0e-12_pReal)) error stop 'isotropic_mu/isostrain/hP'
|
||||
if (dNeq(C(4,4),lattice_isotropic_mu(C_hP,'isostress','hP'),1.0e-12_pReal)) error stop 'isotropic_mu/isostress/hP'
|
||||
if (dNeq(C(4,4),lattice_isotropic_mu(C_hP,'isostrain','hP'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostrain/hP'
|
||||
if (dNeq(C(4,4),lattice_isotropic_mu(C_hP,'isostress','hP'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostress/hP'
|
||||
|
||||
lambda = C_hP(1,2)
|
||||
if (dNeq(lambda*0.5_pReal/(lambda+lattice_isotropic_mu(C_hP,'isostrain','hP')), &
|
||||
lattice_isotropic_nu(C_hP,'isostrain','hP'),1.0e-12_pReal)) error stop 'isotropic_nu/isostrain/hP'
|
||||
if (dNeq(lambda*0.5_pReal/(lambda+lattice_isotropic_mu(C_hP,'isostress','hP')), &
|
||||
lattice_isotropic_nu(C_hP,'isostress','hP'),1.0e-12_pReal)) error stop 'isotropic_nu/isostress/hP'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_hP,'isostrain','hP')), &
|
||||
lattice_isotropic_nu(C_hP,'isostrain','hP'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostrain/hP'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_hP,'isostress','hP')), &
|
||||
lattice_isotropic_nu(C_hP,'isostress','hP'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostress/hP'
|
||||
|
||||
C_tI = lattice_symmetrize_C66(C,'tI')
|
||||
if (dNeq(C(6,6),lattice_isotropic_mu(C_tI,'isostrain','tI'),1.0e-12_pReal)) error stop 'isotropic_mu/isostrain/tI'
|
||||
if (dNeq(C(6,6),lattice_isotropic_mu(C_tI,'isostress','tI'),1.0e-12_pReal)) error stop 'isotropic_mu/isostress/tI'
|
||||
if (dNeq(C(6,6),lattice_isotropic_mu(C_tI,'isostrain','tI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostrain/tI'
|
||||
if (dNeq(C(6,6),lattice_isotropic_mu(C_tI,'isostress','tI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostress/tI'
|
||||
|
||||
lambda = C_tI(1,2)
|
||||
if (dNeq(lambda*0.5_pReal/(lambda+lattice_isotropic_mu(C_tI,'isostrain','tI')), &
|
||||
lattice_isotropic_nu(C_tI,'isostrain','tI'),1.0e-12_pReal)) error stop 'isotropic_nu/isostrain/tI'
|
||||
if (dNeq(lambda*0.5_pReal/(lambda+lattice_isotropic_mu(C_tI,'isostress','tI')), &
|
||||
lattice_isotropic_nu(C_tI,'isostress','tI'),1.0e-12_pReal)) error stop 'isotropic_nu/isostress/tI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_tI,'isostrain','tI')), &
|
||||
lattice_isotropic_nu(C_tI,'isostrain','tI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostrain/tI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_tI,'isostress','tI')), &
|
||||
lattice_isotropic_nu(C_tI,'isostress','tI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostress/tI'
|
||||
|
||||
call random_number(C)
|
||||
C = lattice_symmetrize_C66(C+math_eye(6),'cI')
|
||||
if (dNeq(lattice_isotropic_mu(C,'isostrain','cI'), lattice_isotropic_mu(C,'isostrain','hP'), 1.0e-12_pReal)) &
|
||||
if (dNeq(lattice_isotropic_mu(C,'isostrain','cI'), lattice_isotropic_mu(C,'isostrain','hP'), 1.0e-12_pREAL)) &
|
||||
error stop 'isotropic_mu/isostrain/cI-hP'
|
||||
if (dNeq(lattice_isotropic_nu(C,'isostrain','cF'), lattice_isotropic_nu(C,'isostrain','cI'), 1.0e-12_pReal)) &
|
||||
if (dNeq(lattice_isotropic_nu(C,'isostrain','cF'), lattice_isotropic_nu(C,'isostrain','cI'), 1.0e-12_pREAL)) &
|
||||
error stop 'isotropic_nu/isostrain/cF-tI'
|
||||
if (dNeq(lattice_isotropic_mu(C,'isostress','cI'), lattice_isotropic_mu(C,'isostress'), 1.0e-12_pReal)) &
|
||||
if (dNeq(lattice_isotropic_mu(C,'isostress','cI'), lattice_isotropic_mu(C,'isostress'), 1.0e-12_pREAL)) &
|
||||
error stop 'isotropic_mu/isostress/cI-hP'
|
||||
if (dNeq(lattice_isotropic_nu(C,'isostress','cF'), lattice_isotropic_nu(C,'isostress'), 1.0e-12_pReal)) &
|
||||
if (dNeq(lattice_isotropic_nu(C,'isostress','cF'), lattice_isotropic_nu(C,'isostress'), 1.0e-12_pREAL)) &
|
||||
error stop 'isotropic_nu/isostress/cF-tI'
|
||||
|
||||
end subroutine selfTest
|
||||
|
|
|
@ -22,7 +22,7 @@ module material
|
|||
end type tRotationContainer
|
||||
|
||||
type, public :: tTensorContainer
|
||||
real(pReal), dimension(:,:,:), allocatable :: data
|
||||
real(pREAL), dimension(:,:,:), allocatable :: data
|
||||
end type tTensorContainer
|
||||
|
||||
|
||||
|
@ -45,7 +45,7 @@ module material
|
|||
material_ID_phase, & !< Number of the phase
|
||||
material_entry_phase !< Position in array of used phase
|
||||
|
||||
real(pReal), dimension(:,:), allocatable, public, protected :: &
|
||||
real(pREAL), dimension(:,:), allocatable, public, protected :: &
|
||||
material_v ! fraction
|
||||
|
||||
public :: &
|
||||
|
@ -97,9 +97,9 @@ subroutine parse()
|
|||
counterHomogenization, &
|
||||
ho_of
|
||||
integer, dimension(:,:), allocatable :: ph_of
|
||||
real(pReal), dimension(:,:), allocatable :: v_of
|
||||
real(pREAL), dimension(:,:), allocatable :: v_of
|
||||
|
||||
real(pReal) :: v
|
||||
real(pREAL) :: v
|
||||
integer :: &
|
||||
el, ip, &
|
||||
ho, ph, &
|
||||
|
@ -125,14 +125,14 @@ subroutine parse()
|
|||
end do
|
||||
homogenization_maxNconstituents = maxval(homogenization_Nconstituents)
|
||||
|
||||
allocate(material_v(homogenization_maxNconstituents,discretization_Ncells),source=0.0_pReal)
|
||||
allocate(material_v(homogenization_maxNconstituents,discretization_Ncells),source=0.0_pREAL)
|
||||
|
||||
allocate(material_O_0(materials%length))
|
||||
allocate(material_V_e_0(materials%length))
|
||||
|
||||
allocate(ho_of(materials%length))
|
||||
allocate(ph_of(materials%length,homogenization_maxNconstituents),source=-1)
|
||||
allocate( v_of(materials%length,homogenization_maxNconstituents),source=0.0_pReal)
|
||||
allocate( v_of(materials%length,homogenization_maxNconstituents),source=0.0_pREAL)
|
||||
|
||||
! Parse YAML structure. Manual loop over linked list to have O(n) instead of O(n^2) complexity
|
||||
item => materials%first
|
||||
|
@ -158,7 +158,7 @@ subroutine parse()
|
|||
call IO_error(147)
|
||||
|
||||
end do
|
||||
if (dNeq(sum(v_of(ma,:)),1.0_pReal,1.e-9_pReal)) call IO_error(153,ext_msg='constituent')
|
||||
if (dNeq(sum(v_of(ma,:)),1.0_pREAL,1.e-9_pREAL)) call IO_error(153,ext_msg='constituent')
|
||||
|
||||
item => item%next
|
||||
end do
|
||||
|
|
|
@ -141,7 +141,7 @@ end subroutine materialpoint_forward
|
|||
subroutine materialpoint_result(inc,time)
|
||||
|
||||
integer, intent(in) :: inc
|
||||
real(pReal), intent(in) :: time
|
||||
real(pREAL), intent(in) :: time
|
||||
|
||||
call result_openJobFile()
|
||||
call result_addIncrement(inc,time)
|
||||
|
|
448
src/math.f90
448
src/math.f90
|
@ -31,24 +31,24 @@ module math
|
|||
config
|
||||
#endif
|
||||
|
||||
real(pReal), parameter :: &
|
||||
PI = acos(-1.0_pReal), & !< ratio of a circle's circumference to its diameter
|
||||
TAU = 2.0_pReal*PI, & !< ratio of a circle's circumference to its radius
|
||||
INDEG = 360.0_pReal/TAU, & !< conversion from radian to degree
|
||||
INRAD = TAU/360.0_pReal !< conversion from degree to radian
|
||||
real(pREAL), parameter :: &
|
||||
PI = acos(-1.0_pREAL), & !< ratio of a circle's circumference to its diameter
|
||||
TAU = 2.0_pREAL*PI, & !< ratio of a circle's circumference to its radius
|
||||
INDEG = 360.0_pREAL/TAU, & !< conversion from radian to degree
|
||||
INRAD = TAU/360.0_pREAL !< conversion from degree to radian
|
||||
|
||||
real(pReal), dimension(3,3), parameter :: &
|
||||
real(pREAL), dimension(3,3), parameter :: &
|
||||
math_I3 = reshape([&
|
||||
1.0_pReal,0.0_pReal,0.0_pReal, &
|
||||
0.0_pReal,1.0_pReal,0.0_pReal, &
|
||||
0.0_pReal,0.0_pReal,1.0_pReal &
|
||||
1.0_pREAL,0.0_pREAL,0.0_pREAL, &
|
||||
0.0_pREAL,1.0_pREAL,0.0_pREAL, &
|
||||
0.0_pREAL,0.0_pREAL,1.0_pREAL &
|
||||
],shape(math_I3)) !< 3x3 Identity
|
||||
|
||||
real(pReal), dimension(*), parameter, private :: &
|
||||
NRMMANDEL = [1.0_pReal, 1.0_pReal,1.0_pReal, sqrt(2.0_pReal), sqrt(2.0_pReal), sqrt(2.0_pReal)] !< forward weighting for Mandel notation
|
||||
real(pREAL), dimension(*), parameter, private :: &
|
||||
NRMMANDEL = [1.0_pREAL, 1.0_pREAL,1.0_pREAL, sqrt(2.0_pREAL), sqrt(2.0_pREAL), sqrt(2.0_pREAL)] !< forward weighting for Mandel notation
|
||||
|
||||
real(pReal), dimension(*), parameter, private :: &
|
||||
INVNRMMANDEL = 1.0_pReal/NRMMANDEL !< backward weighting for Mandel notation
|
||||
real(pREAL), dimension(*), parameter, private :: &
|
||||
INVNRMMANDEL = 1.0_pREAL/NRMMANDEL !< backward weighting for Mandel notation
|
||||
|
||||
integer, dimension (2,6), parameter, private :: &
|
||||
MAPNYE = reshape([&
|
||||
|
@ -94,7 +94,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine math_init()
|
||||
|
||||
real(pReal), dimension(4) :: randTest
|
||||
real(pREAL), dimension(4) :: randTest
|
||||
integer :: randSize
|
||||
integer, dimension(:), allocatable :: seed
|
||||
type(tDict), pointer :: &
|
||||
|
@ -201,9 +201,9 @@ end subroutine math_sort
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_expand(what,how)
|
||||
|
||||
real(pReal), dimension(:), intent(in) :: what
|
||||
real(pREAL), dimension(:), intent(in) :: what
|
||||
integer, dimension(:), intent(in) :: how
|
||||
real(pReal), dimension(sum(how)) :: math_expand
|
||||
real(pREAL), dimension(sum(how)) :: math_expand
|
||||
|
||||
integer :: i
|
||||
|
||||
|
@ -239,14 +239,14 @@ end function math_range
|
|||
pure function math_eye(d)
|
||||
|
||||
integer, intent(in) :: d !< tensor dimension
|
||||
real(pReal), dimension(d,d) :: math_eye
|
||||
real(pREAL), dimension(d,d) :: math_eye
|
||||
|
||||
integer :: i
|
||||
|
||||
|
||||
math_eye = 0.0_pReal
|
||||
math_eye = 0.0_pREAL
|
||||
do i=1,d
|
||||
math_eye(i,i) = 1.0_pReal
|
||||
math_eye(i,i) = 1.0_pREAL
|
||||
end do
|
||||
|
||||
end function math_eye
|
||||
|
@ -258,18 +258,18 @@ end function math_eye
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_identity4th()
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: math_identity4th
|
||||
real(pREAL), dimension(3,3,3,3) :: math_identity4th
|
||||
|
||||
integer :: i,j,k,l
|
||||
|
||||
|
||||
#ifndef __INTEL_COMPILER
|
||||
do concurrent(i=1:3, j=1:3, k=1:3, l=1:3)
|
||||
math_identity4th(i,j,k,l) = 0.5_pReal*(math_I3(i,k)*math_I3(j,l)+math_I3(i,l)*math_I3(j,k))
|
||||
math_identity4th(i,j,k,l) = 0.5_pREAL*(math_I3(i,k)*math_I3(j,l)+math_I3(i,l)*math_I3(j,k))
|
||||
end do
|
||||
#else
|
||||
forall(i=1:3, j=1:3, k=1:3, l=1:3) &
|
||||
math_identity4th(i,j,k,l) = 0.5_pReal*(math_I3(i,k)*math_I3(j,l)+math_I3(i,l)*math_I3(j,k))
|
||||
math_identity4th(i,j,k,l) = 0.5_pREAL*(math_I3(i,k)*math_I3(j,l)+math_I3(i,l)*math_I3(j,k))
|
||||
#endif
|
||||
|
||||
end function math_identity4th
|
||||
|
@ -281,7 +281,7 @@ end function math_identity4th
|
|||
! e_ijk = -1 if odd permutation of ijk
|
||||
! e_ijk = 0 otherwise
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_LeviCivita(i,j,k)
|
||||
real(pREAL) pure function math_LeviCivita(i,j,k)
|
||||
|
||||
integer, intent(in) :: i,j,k
|
||||
|
||||
|
@ -289,11 +289,11 @@ real(pReal) pure function math_LeviCivita(i,j,k)
|
|||
|
||||
|
||||
if (any([(all(cshift([i,j,k],o) == [1,2,3]),o=0,2)])) then
|
||||
math_LeviCivita = +1.0_pReal
|
||||
math_LeviCivita = +1.0_pREAL
|
||||
elseif (any([(all(cshift([i,j,k],o) == [3,2,1]),o=0,2)])) then
|
||||
math_LeviCivita = -1.0_pReal
|
||||
math_LeviCivita = -1.0_pREAL
|
||||
else
|
||||
math_LeviCivita = 0.0_pReal
|
||||
math_LeviCivita = 0.0_pREAL
|
||||
end if
|
||||
|
||||
end function math_LeviCivita
|
||||
|
@ -304,12 +304,12 @@ end function math_LeviCivita
|
|||
! d_ij = 1 if i = j
|
||||
! d_ij = 0 otherwise
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_delta(i,j)
|
||||
real(pREAL) pure function math_delta(i,j)
|
||||
|
||||
integer, intent (in) :: i,j
|
||||
|
||||
|
||||
math_delta = merge(0.0_pReal, 1.0_pReal, i /= j)
|
||||
math_delta = merge(0.0_pREAL, 1.0_pREAL, i /= j)
|
||||
|
||||
end function math_delta
|
||||
|
||||
|
@ -319,8 +319,8 @@ end function math_delta
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_cross(A,B)
|
||||
|
||||
real(pReal), dimension(3), intent(in) :: A,B
|
||||
real(pReal), dimension(3) :: math_cross
|
||||
real(pREAL), dimension(3), intent(in) :: A,B
|
||||
real(pREAL), dimension(3) :: math_cross
|
||||
|
||||
|
||||
math_cross = [ A(2)*B(3) -A(3)*B(2), &
|
||||
|
@ -335,8 +335,8 @@ end function math_cross
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_outer(A,B)
|
||||
|
||||
real(pReal), dimension(:), intent(in) :: A,B
|
||||
real(pReal), dimension(size(A,1),size(B,1)) :: math_outer
|
||||
real(pREAL), dimension(:), intent(in) :: A,B
|
||||
real(pREAL), dimension(size(A,1),size(B,1)) :: math_outer
|
||||
|
||||
integer :: i,j
|
||||
|
||||
|
@ -355,10 +355,10 @@ end function math_outer
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief inner product of arbitrary sized vectors (A · B / i,i)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_inner(A,B)
|
||||
real(pREAL) pure function math_inner(A,B)
|
||||
|
||||
real(pReal), dimension(:), intent(in) :: A
|
||||
real(pReal), dimension(size(A,1)), intent(in) :: B
|
||||
real(pREAL), dimension(:), intent(in) :: A
|
||||
real(pREAL), dimension(size(A,1)), intent(in) :: B
|
||||
|
||||
|
||||
math_inner = sum(A*B)
|
||||
|
@ -369,9 +369,9 @@ end function math_inner
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief double contraction of 3x3 matrices (A : B / ij,ij)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_tensordot(A,B)
|
||||
real(pREAL) pure function math_tensordot(A,B)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: A,B
|
||||
real(pREAL), dimension(3,3), intent(in) :: A,B
|
||||
|
||||
|
||||
math_tensordot = sum(A*B)
|
||||
|
@ -384,9 +384,9 @@ end function math_tensordot
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_mul3333xx33(A,B)
|
||||
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3), intent(in) :: B
|
||||
real(pReal), dimension(3,3) :: math_mul3333xx33
|
||||
real(pREAL), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pREAL), dimension(3,3), intent(in) :: B
|
||||
real(pREAL), dimension(3,3) :: math_mul3333xx33
|
||||
|
||||
integer :: i,j
|
||||
|
||||
|
@ -407,9 +407,9 @@ end function math_mul3333xx33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_mul3333xx3333(A,B)
|
||||
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: B
|
||||
real(pReal), dimension(3,3,3,3) :: math_mul3333xx3333
|
||||
real(pREAL), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pREAL), dimension(3,3,3,3), intent(in) :: B
|
||||
real(pREAL), dimension(3,3,3,3) :: math_mul3333xx3333
|
||||
|
||||
integer :: i,j,k,l
|
||||
|
||||
|
@ -430,20 +430,20 @@ end function math_mul3333xx3333
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_exp33(A,n)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: A
|
||||
real(pREAL), dimension(3,3), intent(in) :: A
|
||||
integer, intent(in), optional :: n
|
||||
real(pReal), dimension(3,3) :: B, math_exp33
|
||||
real(pREAL), dimension(3,3) :: B, math_exp33
|
||||
|
||||
real(pReal) :: invFac
|
||||
real(pREAL) :: invFac
|
||||
integer :: i
|
||||
|
||||
|
||||
invFac = 1.0_pReal ! 0!
|
||||
invFac = 1.0_pREAL ! 0!
|
||||
B = math_I3
|
||||
math_exp33 = math_I3 ! A^0 = I
|
||||
|
||||
do i = 1, misc_optional(n,5)
|
||||
invFac = invFac/real(i,pReal) ! invfac = 1/(i!)
|
||||
invFac = invFac/real(i,pREAL) ! invfac = 1/(i!)
|
||||
B = matmul(B,A)
|
||||
math_exp33 = math_exp33 + invFac*B ! exp = SUM (A^i)/(i!)
|
||||
end do
|
||||
|
@ -458,15 +458,15 @@ end function math_exp33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_inv33(A)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3) :: math_inv33
|
||||
real(pREAL), dimension(3,3), intent(in) :: A
|
||||
real(pREAL), dimension(3,3) :: math_inv33
|
||||
|
||||
real(pReal) :: DetA
|
||||
real(pREAL) :: DetA
|
||||
logical :: error
|
||||
|
||||
|
||||
call math_invert33(math_inv33,DetA,error,A)
|
||||
if (error) math_inv33 = 0.0_pReal
|
||||
if (error) math_inv33 = 0.0_pREAL
|
||||
|
||||
end function math_inv33
|
||||
|
||||
|
@ -478,12 +478,12 @@ end function math_inv33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine math_invert33(InvA,DetA,error, A)
|
||||
|
||||
real(pReal), dimension(3,3), intent(out) :: InvA
|
||||
real(pReal), intent(out), optional :: DetA
|
||||
real(pREAL), dimension(3,3), intent(out) :: InvA
|
||||
real(pREAL), intent(out), optional :: DetA
|
||||
logical, intent(out) :: error
|
||||
real(pReal), dimension(3,3), intent(in) :: A
|
||||
real(pREAL), dimension(3,3), intent(in) :: A
|
||||
|
||||
real(pReal) :: Det
|
||||
real(pREAL) :: Det
|
||||
|
||||
|
||||
InvA(1,1) = A(2,2) * A(3,3) - A(2,3) * A(3,2)
|
||||
|
@ -493,8 +493,8 @@ pure subroutine math_invert33(InvA,DetA,error, A)
|
|||
Det = A(1,1) * InvA(1,1) + A(1,2) * InvA(2,1) + A(1,3) * InvA(3,1)
|
||||
|
||||
if (dEq0(Det)) then
|
||||
InvA = 0.0_pReal
|
||||
if (present(DetA)) DetA = 0.0_pReal
|
||||
InvA = 0.0_pREAL
|
||||
if (present(DetA)) DetA = 0.0_pREAL
|
||||
error = .true.
|
||||
else
|
||||
InvA(1,2) = -A(1,2) * A(3,3) + A(1,3) * A(3,2)
|
||||
|
@ -518,13 +518,13 @@ end subroutine math_invert33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_invSym3333(A)
|
||||
|
||||
real(pReal),dimension(3,3,3,3) :: math_invSym3333
|
||||
real(pREAL),dimension(3,3,3,3) :: math_invSym3333
|
||||
|
||||
real(pReal),dimension(3,3,3,3),intent(in) :: A
|
||||
real(pREAL),dimension(3,3,3,3),intent(in) :: A
|
||||
|
||||
integer, dimension(6) :: ipiv6
|
||||
real(pReal), dimension(6,6) :: temp66
|
||||
real(pReal), dimension(6*6) :: work
|
||||
real(pREAL), dimension(6,6) :: temp66
|
||||
real(pREAL), dimension(6*6) :: work
|
||||
integer :: ierr_i, ierr_f
|
||||
|
||||
|
||||
|
@ -545,12 +545,12 @@ end function math_invSym3333
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine math_invert(InvA, error, A)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: A
|
||||
real(pReal), dimension(size(A,1),size(A,1)), intent(out) :: invA
|
||||
real(pREAL), dimension(:,:), intent(in) :: A
|
||||
real(pREAL), dimension(size(A,1),size(A,1)), intent(out) :: invA
|
||||
logical, intent(out) :: error
|
||||
|
||||
integer, dimension(size(A,1)) :: ipiv
|
||||
real(pReal), dimension(size(A,1)**2) :: work
|
||||
real(pREAL), dimension(size(A,1)**2) :: work
|
||||
integer :: ierr
|
||||
|
||||
|
||||
|
@ -568,11 +568,11 @@ end subroutine math_invert
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_symmetric33(m)
|
||||
|
||||
real(pReal), dimension(3,3) :: math_symmetric33
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
real(pREAL), dimension(3,3) :: math_symmetric33
|
||||
real(pREAL), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_symmetric33 = 0.5_pReal * (m + transpose(m))
|
||||
math_symmetric33 = 0.5_pREAL * (m + transpose(m))
|
||||
|
||||
end function math_symmetric33
|
||||
|
||||
|
@ -582,8 +582,8 @@ end function math_symmetric33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_skew33(m)
|
||||
|
||||
real(pReal), dimension(3,3) :: math_skew33
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
real(pREAL), dimension(3,3) :: math_skew33
|
||||
real(pREAL), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_skew33 = m - math_symmetric33(m)
|
||||
|
@ -596,11 +596,11 @@ end function math_skew33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_spherical33(m)
|
||||
|
||||
real(pReal), dimension(3,3) :: math_spherical33
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
real(pREAL), dimension(3,3) :: math_spherical33
|
||||
real(pREAL), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_spherical33 = math_I3 * math_trace33(m)/3.0_pReal
|
||||
math_spherical33 = math_I3 * math_trace33(m)/3.0_pREAL
|
||||
|
||||
end function math_spherical33
|
||||
|
||||
|
@ -610,8 +610,8 @@ end function math_spherical33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_deviatoric33(m)
|
||||
|
||||
real(pReal), dimension(3,3) :: math_deviatoric33
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
real(pREAL), dimension(3,3) :: math_deviatoric33
|
||||
real(pREAL), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_deviatoric33 = m - math_spherical33(m)
|
||||
|
@ -622,9 +622,9 @@ end function math_deviatoric33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Calculate trace of a 3x3 matrix.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_trace33(m)
|
||||
real(pREAL) pure function math_trace33(m)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
real(pREAL), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_trace33 = m(1,1) + m(2,2) + m(3,3)
|
||||
|
@ -635,9 +635,9 @@ end function math_trace33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Calculate determinant of a 3x3 matrix.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_det33(m)
|
||||
real(pREAL) pure function math_det33(m)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
real(pREAL), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_det33 = m(1,1)* (m(2,2)*m(3,3)-m(2,3)*m(3,2)) &
|
||||
|
@ -650,13 +650,13 @@ end function math_det33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Calculate determinant of a symmetric 3x3 matrix.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_detSym33(m)
|
||||
real(pREAL) pure function math_detSym33(m)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
real(pREAL), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_detSym33 = -(m(1,1)*m(2,3)**2 + m(2,2)*m(1,3)**2 + m(3,3)*m(1,2)**2) &
|
||||
+ m(1,1)*m(2,2)*m(3,3) + 2.0_pReal * m(1,2)*m(1,3)*m(2,3)
|
||||
+ m(1,1)*m(2,2)*m(3,3) + 2.0_pREAL * m(1,2)*m(1,3)*m(2,3)
|
||||
|
||||
end function math_detSym33
|
||||
|
||||
|
@ -666,8 +666,8 @@ end function math_detSym33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_33to9(m33)
|
||||
|
||||
real(pReal), dimension(9) :: math_33to9
|
||||
real(pReal), dimension(3,3), intent(in) :: m33
|
||||
real(pREAL), dimension(9) :: math_33to9
|
||||
real(pREAL), dimension(3,3), intent(in) :: m33
|
||||
|
||||
integer :: i
|
||||
|
||||
|
@ -682,8 +682,8 @@ end function math_33to9
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_9to33(v9)
|
||||
|
||||
real(pReal), dimension(3,3) :: math_9to33
|
||||
real(pReal), dimension(9), intent(in) :: v9
|
||||
real(pREAL), dimension(3,3) :: math_9to33
|
||||
real(pREAL), dimension(9), intent(in) :: v9
|
||||
|
||||
integer :: i
|
||||
|
||||
|
@ -703,14 +703,14 @@ end function math_9to33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_sym33to6(m33,weighted)
|
||||
|
||||
real(pReal), dimension(6) :: math_sym33to6
|
||||
real(pReal), dimension(3,3), intent(in) :: m33 !< symmetric 3x3 matrix (no internal check)
|
||||
real(pREAL), dimension(6) :: math_sym33to6
|
||||
real(pREAL), dimension(3,3), intent(in) :: m33 !< symmetric 3x3 matrix (no internal check)
|
||||
logical, optional, intent(in) :: weighted !< weight according to Mandel (.true. by default)
|
||||
|
||||
real(pReal), dimension(6) :: w
|
||||
real(pREAL), dimension(6) :: w
|
||||
integer :: i
|
||||
|
||||
w = merge(NRMMANDEL,1.0_pReal,misc_optional(weighted,.true.))
|
||||
w = merge(NRMMANDEL,1.0_pREAL,misc_optional(weighted,.true.))
|
||||
|
||||
math_sym33to6 = [(w(i)*m33(MAPNYE(1,i),MAPNYE(2,i)),i=1,6)]
|
||||
|
||||
|
@ -725,15 +725,15 @@ end function math_sym33to6
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_6toSym33(v6,weighted)
|
||||
|
||||
real(pReal), dimension(3,3) :: math_6toSym33
|
||||
real(pReal), dimension(6), intent(in) :: v6 !< 6 vector
|
||||
real(pREAL), dimension(3,3) :: math_6toSym33
|
||||
real(pREAL), dimension(6), intent(in) :: v6 !< 6 vector
|
||||
logical, optional, intent(in) :: weighted !< weight according to Mandel (.true. by default)
|
||||
|
||||
real(pReal), dimension(6) :: w
|
||||
real(pREAL), dimension(6) :: w
|
||||
integer :: i
|
||||
|
||||
|
||||
w = merge(INVNRMMANDEL,1.0_pReal,misc_optional(weighted,.true.))
|
||||
w = merge(INVNRMMANDEL,1.0_pREAL,misc_optional(weighted,.true.))
|
||||
|
||||
do i=1,6
|
||||
math_6toSym33(MAPNYE(1,i),MAPNYE(2,i)) = w(i)*v6(i)
|
||||
|
@ -748,8 +748,8 @@ end function math_6toSym33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_3333to99(m3333)
|
||||
|
||||
real(pReal), dimension(9,9) :: math_3333to99
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: m3333
|
||||
real(pREAL), dimension(9,9) :: math_3333to99
|
||||
real(pREAL), dimension(3,3,3,3), intent(in) :: m3333
|
||||
|
||||
integer :: i,j
|
||||
|
||||
|
@ -770,8 +770,8 @@ end function math_3333to99
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_99to3333(m99)
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: math_99to3333
|
||||
real(pReal), dimension(9,9), intent(in) :: m99
|
||||
real(pREAL), dimension(3,3,3,3) :: math_99to3333
|
||||
real(pREAL), dimension(9,9), intent(in) :: m99
|
||||
|
||||
integer :: i,j
|
||||
|
||||
|
@ -795,15 +795,15 @@ end function math_99to3333
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_sym3333to66(m3333,weighted)
|
||||
|
||||
real(pReal), dimension(6,6) :: math_sym3333to66
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: m3333 !< symmetric 3x3x3x3 matrix (no internal check)
|
||||
real(pREAL), dimension(6,6) :: math_sym3333to66
|
||||
real(pREAL), dimension(3,3,3,3), intent(in) :: m3333 !< symmetric 3x3x3x3 matrix (no internal check)
|
||||
logical, optional, intent(in) :: weighted !< weight according to Mandel (.true. by default)
|
||||
|
||||
real(pReal), dimension(6) :: w
|
||||
real(pREAL), dimension(6) :: w
|
||||
integer :: i,j
|
||||
|
||||
|
||||
w = merge(NRMMANDEL,1.0_pReal,misc_optional(weighted,.true.))
|
||||
w = merge(NRMMANDEL,1.0_pREAL,misc_optional(weighted,.true.))
|
||||
|
||||
#ifndef __INTEL_COMPILER
|
||||
do concurrent(i=1:6, j=1:6)
|
||||
|
@ -824,15 +824,15 @@ end function math_sym3333to66
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_66toSym3333(m66,weighted)
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: math_66toSym3333
|
||||
real(pReal), dimension(6,6), intent(in) :: m66 !< 6x6 matrix
|
||||
real(pREAL), dimension(3,3,3,3) :: math_66toSym3333
|
||||
real(pREAL), dimension(6,6), intent(in) :: m66 !< 6x6 matrix
|
||||
logical, optional, intent(in) :: weighted !< weight according to Mandel (.true. by default)
|
||||
|
||||
real(pReal), dimension(6) :: w
|
||||
real(pREAL), dimension(6) :: w
|
||||
integer :: i,j
|
||||
|
||||
|
||||
w = merge(INVNRMMANDEL,1.0_pReal,misc_optional(weighted,.true.))
|
||||
w = merge(INVNRMMANDEL,1.0_pREAL,misc_optional(weighted,.true.))
|
||||
|
||||
do i=1,6; do j=1,6
|
||||
math_66toSym3333(MAPNYE(1,i),MAPNYE(2,i),MAPNYE(1,j),MAPNYE(2,j)) = w(i)*w(j)*m66(i,j)
|
||||
|
@ -849,8 +849,8 @@ end function math_66toSym3333
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_Voigt6to33_stress(sigma_tilde) result(sigma)
|
||||
|
||||
real(pReal), dimension(3,3) :: sigma
|
||||
real(pReal), dimension(6), intent(in) :: sigma_tilde
|
||||
real(pREAL), dimension(3,3) :: sigma
|
||||
real(pREAL), dimension(6), intent(in) :: sigma_tilde
|
||||
|
||||
|
||||
sigma = reshape([sigma_tilde(1), sigma_tilde(6), sigma_tilde(5), &
|
||||
|
@ -865,13 +865,13 @@ end function math_Voigt6to33_stress
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_Voigt6to33_strain(epsilon_tilde) result(epsilon)
|
||||
|
||||
real(pReal), dimension(3,3) :: epsilon
|
||||
real(pReal), dimension(6), intent(in) :: epsilon_tilde
|
||||
real(pREAL), dimension(3,3) :: epsilon
|
||||
real(pREAL), dimension(6), intent(in) :: epsilon_tilde
|
||||
|
||||
|
||||
epsilon = reshape([ epsilon_tilde(1), 0.5_pReal*epsilon_tilde(6), 0.5_pReal*epsilon_tilde(5), &
|
||||
0.5_pReal*epsilon_tilde(6), epsilon_tilde(2), 0.5_pReal*epsilon_tilde(4), &
|
||||
0.5_pReal*epsilon_tilde(5), 0.5_pReal*epsilon_tilde(4), epsilon_tilde(3)],[3,3])
|
||||
epsilon = reshape([ epsilon_tilde(1), 0.5_pREAL*epsilon_tilde(6), 0.5_pREAL*epsilon_tilde(5), &
|
||||
0.5_pREAL*epsilon_tilde(6), epsilon_tilde(2), 0.5_pREAL*epsilon_tilde(4), &
|
||||
0.5_pREAL*epsilon_tilde(5), 0.5_pREAL*epsilon_tilde(4), epsilon_tilde(3)],[3,3])
|
||||
|
||||
end function math_Voigt6to33_strain
|
||||
|
||||
|
@ -881,8 +881,8 @@ end function math_Voigt6to33_strain
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_33toVoigt6_stress(sigma) result(sigma_tilde)
|
||||
|
||||
real(pReal), dimension(6) :: sigma_tilde
|
||||
real(pReal), dimension(3,3), intent(in) :: sigma
|
||||
real(pREAL), dimension(6) :: sigma_tilde
|
||||
real(pREAL), dimension(3,3), intent(in) :: sigma
|
||||
|
||||
|
||||
sigma_tilde = [sigma(1,1), sigma(2,2), sigma(3,3), &
|
||||
|
@ -896,12 +896,12 @@ end function math_33toVoigt6_stress
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_33toVoigt6_strain(epsilon) result(epsilon_tilde)
|
||||
|
||||
real(pReal), dimension(6) :: epsilon_tilde
|
||||
real(pReal), dimension(3,3), intent(in) :: epsilon
|
||||
real(pREAL), dimension(6) :: epsilon_tilde
|
||||
real(pREAL), dimension(3,3), intent(in) :: epsilon
|
||||
|
||||
|
||||
epsilon_tilde = [ epsilon(1,1), epsilon(2,2), epsilon(3,3), &
|
||||
2.0_pReal*epsilon(3,2), 2.0_pReal*epsilon(3,1), 2.0_pReal*epsilon(1,2)]
|
||||
2.0_pREAL*epsilon(3,2), 2.0_pREAL*epsilon(3,1), 2.0_pREAL*epsilon(1,2)]
|
||||
|
||||
end function math_33toVoigt6_strain
|
||||
|
||||
|
@ -912,8 +912,8 @@ end function math_33toVoigt6_strain
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_Voigt66to3333_stiffness(C_tilde) result(C)
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: C
|
||||
real(pReal), dimension(6,6), intent(in) :: C_tilde
|
||||
real(pREAL), dimension(3,3,3,3) :: C
|
||||
real(pREAL), dimension(6,6), intent(in) :: C_tilde
|
||||
|
||||
integer :: i,j
|
||||
|
||||
|
@ -933,8 +933,8 @@ end function math_Voigt66to3333_stiffness
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_3333toVoigt66_stiffness(C) result(C_tilde)
|
||||
|
||||
real(pReal), dimension(6,6) :: C_tilde
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: C
|
||||
real(pREAL), dimension(6,6) :: C_tilde
|
||||
real(pREAL), dimension(3,3,3,3), intent(in) :: C
|
||||
|
||||
integer :: i,j
|
||||
|
||||
|
@ -957,15 +957,15 @@ end function math_3333toVoigt66_stiffness
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
impure elemental subroutine math_normal(x,mu,sigma)
|
||||
|
||||
real(pReal), intent(out) :: x
|
||||
real(pReal), intent(in), optional :: mu, sigma
|
||||
real(pREAL), intent(out) :: x
|
||||
real(pREAL), intent(in), optional :: mu, sigma
|
||||
|
||||
real(pReal), dimension(2) :: rnd
|
||||
real(pREAL), dimension(2) :: rnd
|
||||
|
||||
|
||||
call random_number(rnd)
|
||||
x = misc_optional(mu,0.0_pReal) &
|
||||
+ misc_optional(sigma,1.0_pReal) * sqrt(-2.0_pReal*log(1.0_pReal-rnd(1)))*cos(TAU*(1.0_pReal - rnd(2)))
|
||||
x = misc_optional(mu,0.0_pREAL) &
|
||||
+ misc_optional(sigma,1.0_pREAL) * sqrt(-2.0_pREAL*log(1.0_pREAL-rnd(1)))*cos(TAU*(1.0_pREAL - rnd(2)))
|
||||
|
||||
end subroutine math_normal
|
||||
|
||||
|
@ -975,13 +975,13 @@ end subroutine math_normal
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine math_eigh(w,v,error,m)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: m !< quadratic matrix to compute eigenvectors and values of
|
||||
real(pReal), dimension(size(m,1)), intent(out) :: w !< eigenvalues
|
||||
real(pReal), dimension(size(m,1),size(m,1)), intent(out) :: v !< eigenvectors
|
||||
real(pREAL), dimension(:,:), intent(in) :: m !< quadratic matrix to compute eigenvectors and values of
|
||||
real(pREAL), dimension(size(m,1)), intent(out) :: w !< eigenvalues
|
||||
real(pREAL), dimension(size(m,1),size(m,1)), intent(out) :: v !< eigenvectors
|
||||
logical, intent(out) :: error
|
||||
|
||||
integer :: ierr
|
||||
real(pReal), dimension(size(m,1)**2) :: work
|
||||
real(pREAL), dimension(size(m,1)**2) :: work
|
||||
|
||||
|
||||
v = m ! copy matrix to input (doubles as output) array
|
||||
|
@ -1000,11 +1000,11 @@ end subroutine math_eigh
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine math_eigh33(w,v,m)
|
||||
|
||||
real(pReal), dimension(3,3),intent(in) :: m !< 3x3 matrix to compute eigenvectors and values of
|
||||
real(pReal), dimension(3), intent(out) :: w !< eigenvalues
|
||||
real(pReal), dimension(3,3),intent(out) :: v !< eigenvectors
|
||||
real(pREAL), dimension(3,3),intent(in) :: m !< 3x3 matrix to compute eigenvectors and values of
|
||||
real(pREAL), dimension(3), intent(out) :: w !< eigenvalues
|
||||
real(pREAL), dimension(3,3),intent(out) :: v !< eigenvectors
|
||||
|
||||
real(pReal) :: T, U, norm, threshold
|
||||
real(pREAL) :: T, U, norm, threshold
|
||||
logical :: error
|
||||
|
||||
|
||||
|
@ -1016,7 +1016,7 @@ pure subroutine math_eigh33(w,v,m)
|
|||
|
||||
T = maxval(abs(w))
|
||||
U = max(T, T**2)
|
||||
threshold = sqrt(5.68e-14_pReal * U**2)
|
||||
threshold = sqrt(5.68e-14_pREAL * U**2)
|
||||
|
||||
#ifndef __INTEL_LLVM_COMPILER
|
||||
v(1:3,1) = [m(1,3)*w(1) + v(1,2), &
|
||||
|
@ -1059,32 +1059,32 @@ end subroutine math_eigh33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_rotationalPart(F) result(R)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
F ! deformation gradient
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
C, & ! right Cauchy-Green tensor
|
||||
R ! rotational part
|
||||
real(pReal), dimension(3) :: &
|
||||
real(pREAL), dimension(3) :: &
|
||||
lambda, & ! principal stretches
|
||||
I_C, & ! invariants of C
|
||||
I_U ! invariants of U
|
||||
real(pReal), dimension(2) :: &
|
||||
real(pREAL), dimension(2) :: &
|
||||
I_F ! first two invariants of F
|
||||
real(pReal) :: x,Phi
|
||||
real(pREAL) :: x,Phi
|
||||
|
||||
|
||||
C = matmul(transpose(F),F)
|
||||
I_C = math_invariantsSym33(C)
|
||||
I_F = [math_trace33(F), 0.5_pReal*(math_trace33(F)**2 - math_trace33(matmul(F,F)))]
|
||||
I_F = [math_trace33(F), 0.5_pREAL*(math_trace33(F)**2 - math_trace33(matmul(F,F)))]
|
||||
|
||||
x = math_clip(I_C(1)**2 -3.0_pReal*I_C(2),0.0_pReal)**(3.0_pReal/2.0_pReal)
|
||||
x = math_clip(I_C(1)**2 -3.0_pREAL*I_C(2),0.0_pREAL)**(3.0_pREAL/2.0_pREAL)
|
||||
if (dNeq0(x)) then
|
||||
Phi = acos(math_clip((I_C(1)**3 -4.5_pReal*I_C(1)*I_C(2) +13.5_pReal*I_C(3))/x,-1.0_pReal,1.0_pReal))
|
||||
lambda = I_C(1) +(2.0_pReal * sqrt(math_clip(I_C(1)**2-3.0_pReal*I_C(2),0.0_pReal))) &
|
||||
*cos((Phi-TAU*[1.0_pReal,2.0_pReal,3.0_pReal])/3.0_pReal)
|
||||
lambda = sqrt(math_clip(lambda,0.0_pReal)/3.0_pReal)
|
||||
Phi = acos(math_clip((I_C(1)**3 -4.5_pREAL*I_C(1)*I_C(2) +13.5_pREAL*I_C(3))/x,-1.0_pREAL,1.0_pREAL))
|
||||
lambda = I_C(1) +(2.0_pREAL * sqrt(math_clip(I_C(1)**2-3.0_pREAL*I_C(2),0.0_pREAL))) &
|
||||
*cos((Phi-TAU*[1.0_pREAL,2.0_pREAL,3.0_pREAL])/3.0_pREAL)
|
||||
lambda = sqrt(math_clip(lambda,0.0_pREAL)/3.0_pREAL)
|
||||
else
|
||||
lambda = sqrt(I_C(1)/3.0_pReal)
|
||||
lambda = sqrt(I_C(1)/3.0_pREAL)
|
||||
end if
|
||||
|
||||
I_U = [sum(lambda), lambda(1)*lambda(2)+lambda(2)*lambda(3)+lambda(3)*lambda(1), product(lambda)]
|
||||
|
@ -1094,7 +1094,7 @@ pure function math_rotationalPart(F) result(R)
|
|||
- I_U(1)*I_F(1) * transpose(F) &
|
||||
+ I_U(1) * transpose(matmul(F,F)) &
|
||||
- matmul(F,C)
|
||||
R = R*math_det33(R)**(-1.0_pReal/3.0_pReal)
|
||||
R = R*math_det33(R)**(-1.0_pREAL/3.0_pREAL)
|
||||
|
||||
end function math_rotationalPart
|
||||
|
||||
|
@ -1105,17 +1105,17 @@ end function math_rotationalPart
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_eigvalsh(m)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: m !< symmetric matrix to compute eigenvalues of
|
||||
real(pReal), dimension(size(m,1)) :: math_eigvalsh
|
||||
real(pREAL), dimension(:,:), intent(in) :: m !< symmetric matrix to compute eigenvalues of
|
||||
real(pREAL), dimension(size(m,1)) :: math_eigvalsh
|
||||
|
||||
real(pReal), dimension(size(m,1),size(m,1)) :: m_
|
||||
real(pREAL), dimension(size(m,1),size(m,1)) :: m_
|
||||
integer :: ierr
|
||||
real(pReal), dimension(size(m,1)**2) :: work
|
||||
real(pREAL), dimension(size(m,1)**2) :: work
|
||||
|
||||
|
||||
m_ = m ! m_ will be destroyed
|
||||
call dsyev('N','U',size(m,1),m_,size(m,1),math_eigvalsh,work,size(work),ierr)
|
||||
if (ierr /= 0) math_eigvalsh = IEEE_value(1.0_pReal,IEEE_quiet_NaN)
|
||||
if (ierr /= 0) math_eigvalsh = IEEE_value(1.0_pREAL,IEEE_quiet_NaN)
|
||||
|
||||
end function math_eigvalsh
|
||||
|
||||
|
@ -1129,30 +1129,30 @@ end function math_eigvalsh
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_eigvalsh33(m)
|
||||
|
||||
real(pReal), intent(in), dimension(3,3) :: m !< 3x3 symmetric matrix to compute eigenvalues of
|
||||
real(pReal), dimension(3) :: math_eigvalsh33,I
|
||||
real(pReal) :: P, Q, rho, phi
|
||||
real(pReal), parameter :: TOL=1.e-14_pReal
|
||||
real(pREAL), intent(in), dimension(3,3) :: m !< 3x3 symmetric matrix to compute eigenvalues of
|
||||
real(pREAL), dimension(3) :: math_eigvalsh33,I
|
||||
real(pREAL) :: P, Q, rho, phi
|
||||
real(pREAL), parameter :: TOL=1.e-14_pREAL
|
||||
|
||||
|
||||
I = math_invariantsSym33(m) ! invariants are coefficients in characteristic polynomial apart for the sign of c0 and c2 in http://arxiv.org/abs/physics/0610206
|
||||
|
||||
P = I(2)-I(1)**2/3.0_pReal ! different from http://arxiv.org/abs/physics/0610206 (this formulation was in DAMASK)
|
||||
Q = product(I(1:2))/3.0_pReal &
|
||||
- 2.0_pReal/27.0_pReal*I(1)**3 &
|
||||
P = I(2)-I(1)**2/3.0_pREAL ! different from http://arxiv.org/abs/physics/0610206 (this formulation was in DAMASK)
|
||||
Q = product(I(1:2))/3.0_pREAL &
|
||||
- 2.0_pREAL/27.0_pREAL*I(1)**3 &
|
||||
- I(3) ! different from http://arxiv.org/abs/physics/0610206 (this formulation was in DAMASK)
|
||||
|
||||
if (all(abs([P,Q]) < TOL)) then
|
||||
math_eigvalsh33 = math_eigvalsh(m)
|
||||
else
|
||||
rho=sqrt(-3.0_pReal*P**3)/9.0_pReal
|
||||
phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal))
|
||||
math_eigvalsh33 = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* &
|
||||
[cos( phi /3.0_pReal), &
|
||||
cos((phi+TAU)/3.0_pReal), &
|
||||
cos((phi+2.0_pReal*TAU)/3.0_pReal) &
|
||||
rho=sqrt(-3.0_pREAL*P**3)/9.0_pREAL
|
||||
phi=acos(math_clip(-Q/rho*0.5_pREAL,-1.0_pREAL,1.0_pREAL))
|
||||
math_eigvalsh33 = 2.0_pREAL*rho**(1.0_pREAL/3.0_pREAL)* &
|
||||
[cos( phi /3.0_pREAL), &
|
||||
cos((phi+TAU)/3.0_pREAL), &
|
||||
cos((phi+2.0_pREAL*TAU)/3.0_pREAL) &
|
||||
] &
|
||||
+ I(1)/3.0_pReal
|
||||
+ I(1)/3.0_pREAL
|
||||
end if
|
||||
|
||||
end function math_eigvalsh33
|
||||
|
@ -1163,8 +1163,8 @@ end function math_eigvalsh33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_invariantsSym33(m)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
real(pReal), dimension(3) :: math_invariantsSym33
|
||||
real(pREAL), dimension(3,3), intent(in) :: m
|
||||
real(pREAL), dimension(3) :: math_invariantsSym33
|
||||
|
||||
|
||||
math_invariantsSym33(1) = math_trace33(m)
|
||||
|
@ -1225,17 +1225,17 @@ end function math_multinomial
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief volume of tetrahedron given by four vertices
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_volTetrahedron(v1,v2,v3,v4)
|
||||
real(pREAL) pure function math_volTetrahedron(v1,v2,v3,v4)
|
||||
|
||||
real(pReal), dimension (3), intent(in) :: v1,v2,v3,v4
|
||||
real(pReal), dimension (3,3) :: m
|
||||
real(pREAL), dimension (3), intent(in) :: v1,v2,v3,v4
|
||||
real(pREAL), dimension (3,3) :: m
|
||||
|
||||
|
||||
m(1:3,1) = v1-v2
|
||||
m(1:3,2) = v1-v3
|
||||
m(1:3,3) = v1-v4
|
||||
|
||||
math_volTetrahedron = abs(math_det33(m))/6.0_pReal
|
||||
math_volTetrahedron = abs(math_det33(m))/6.0_pREAL
|
||||
|
||||
end function math_volTetrahedron
|
||||
|
||||
|
@ -1243,12 +1243,12 @@ end function math_volTetrahedron
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief area of triangle given by three vertices
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_areaTriangle(v1,v2,v3)
|
||||
real(pREAL) pure function math_areaTriangle(v1,v2,v3)
|
||||
|
||||
real(pReal), dimension (3), intent(in) :: v1,v2,v3
|
||||
real(pREAL), dimension (3), intent(in) :: v1,v2,v3
|
||||
|
||||
|
||||
math_areaTriangle = 0.5_pReal * norm2(math_cross(v1-v2,v1-v3))
|
||||
math_areaTriangle = 0.5_pREAL * norm2(math_cross(v1-v2,v1-v3))
|
||||
|
||||
end function math_areaTriangle
|
||||
|
||||
|
@ -1256,10 +1256,10 @@ end function math_areaTriangle
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Limit a scalar value to a certain range (either one or two sided).
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure elemental function math_clip(a, left, right)
|
||||
real(pREAL) pure elemental function math_clip(a, left, right)
|
||||
|
||||
real(pReal), intent(in) :: a
|
||||
real(pReal), intent(in), optional :: left, right
|
||||
real(pREAL), intent(in) :: a
|
||||
real(pREAL), intent(in), optional :: left, right
|
||||
|
||||
|
||||
math_clip = a
|
||||
|
@ -1285,30 +1285,30 @@ subroutine selfTest()
|
|||
integer, dimension(5) :: range_out_ = [1,2,3,4,5]
|
||||
integer, dimension(3) :: ijk
|
||||
|
||||
real(pReal) :: det
|
||||
real(pReal), dimension(3) :: v3_1,v3_2,v3_3,v3_4
|
||||
real(pReal), dimension(6) :: v6
|
||||
real(pReal), dimension(9) :: v9
|
||||
real(pReal), dimension(3,3) :: t33,t33_2
|
||||
real(pReal), dimension(6,6) :: t66
|
||||
real(pReal), dimension(9,9) :: t99,t99_2
|
||||
real(pReal), dimension(:,:), &
|
||||
real(pREAL) :: det
|
||||
real(pREAL), dimension(3) :: v3_1,v3_2,v3_3,v3_4
|
||||
real(pREAL), dimension(6) :: v6
|
||||
real(pREAL), dimension(9) :: v9
|
||||
real(pREAL), dimension(3,3) :: t33,t33_2
|
||||
real(pREAL), dimension(6,6) :: t66
|
||||
real(pREAL), dimension(9,9) :: t99,t99_2
|
||||
real(pREAL), dimension(:,:), &
|
||||
allocatable :: txx,txx_2
|
||||
real(pReal) :: r
|
||||
real(pREAL) :: r
|
||||
integer :: d
|
||||
logical :: e
|
||||
|
||||
|
||||
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,3.0_pReal,3.0_pReal,3.0_pReal] - &
|
||||
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1,2,3,0])) > tol_math_check)) &
|
||||
if (any(abs([1.0_pREAL,2.0_pREAL,2.0_pREAL,3.0_pREAL,3.0_pREAL,3.0_pREAL] - &
|
||||
math_expand([1.0_pREAL,2.0_pREAL,3.0_pREAL],[1,2,3,0])) > tol_math_check)) &
|
||||
error stop 'math_expand [1,2,3] by [1,2,3,0] => [1,2,2,3,3,3]'
|
||||
|
||||
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal] - &
|
||||
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1,2])) > tol_math_check)) &
|
||||
if (any(abs([1.0_pREAL,2.0_pREAL,2.0_pREAL] - &
|
||||
math_expand([1.0_pREAL,2.0_pREAL,3.0_pREAL],[1,2])) > tol_math_check)) &
|
||||
error stop 'math_expand [1,2,3] by [1,2] => [1,2,2]'
|
||||
|
||||
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal] - &
|
||||
math_expand([1.0_pReal,2.0_pReal],[1,2,3])) > tol_math_check)) &
|
||||
if (any(abs([1.0_pREAL,2.0_pREAL,2.0_pREAL,1.0_pREAL,1.0_pREAL,1.0_pREAL] - &
|
||||
math_expand([1.0_pREAL,2.0_pREAL],[1,2,3])) > tol_math_check)) &
|
||||
error stop 'math_expand [1,2] by [1,2,3] => [1,2,2,1,1,1]'
|
||||
|
||||
call math_sort(sort_in_,1,3,2)
|
||||
|
@ -1320,7 +1320,7 @@ subroutine selfTest()
|
|||
|
||||
if (any(dNeq(math_exp33(math_I3,0),math_I3))) &
|
||||
error stop 'math_exp33(math_I3,1)'
|
||||
if (any(dNeq(math_exp33(math_I3,128),exp(1.0_pReal)*math_I3))) &
|
||||
if (any(dNeq(math_exp33(math_I3,128),exp(1.0_pREAL)*math_I3))) &
|
||||
error stop 'math_exp33(math_I3,128)'
|
||||
|
||||
call random_number(v9)
|
||||
|
@ -1336,10 +1336,10 @@ subroutine selfTest()
|
|||
error stop 'math_sym33to6/math_6toSym33'
|
||||
|
||||
call random_number(t66)
|
||||
if (any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66,1.0e-15_pReal))) &
|
||||
if (any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66,1.0e-15_pREAL))) &
|
||||
error stop 'math_sym3333to66/math_66toSym3333'
|
||||
|
||||
if (any(dNeq(math_3333toVoigt66_stiffness(math_Voigt66to3333_stiffness(t66)),t66,1.0e-15_pReal))) &
|
||||
if (any(dNeq(math_3333toVoigt66_stiffness(math_Voigt66to3333_stiffness(t66)),t66,1.0e-15_pREAL))) &
|
||||
error stop 'math_3333toVoigt66/math_Voigt66to3333'
|
||||
|
||||
call random_number(v6)
|
||||
|
@ -1351,12 +1351,12 @@ subroutine selfTest()
|
|||
call random_number(v3_3)
|
||||
call random_number(v3_4)
|
||||
|
||||
if (dNeq(abs(dot_product(math_cross(v3_1-v3_4,v3_2-v3_4),v3_3-v3_4))/6.0_pReal, &
|
||||
math_volTetrahedron(v3_1,v3_2,v3_3,v3_4),tol=1.0e-12_pReal)) &
|
||||
if (dNeq(abs(dot_product(math_cross(v3_1-v3_4,v3_2-v3_4),v3_3-v3_4))/6.0_pREAL, &
|
||||
math_volTetrahedron(v3_1,v3_2,v3_3,v3_4),tol=1.0e-12_pREAL)) &
|
||||
error stop 'math_volTetrahedron'
|
||||
|
||||
call random_number(t33)
|
||||
if (dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pReal)) &
|
||||
if (dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pREAL)) &
|
||||
error stop 'math_det33/math_detSym33'
|
||||
|
||||
if (any(dNeq(t33+transpose(t33),math_mul3333xx33(math_identity4th(),t33+transpose(t33))))) &
|
||||
|
@ -1365,34 +1365,34 @@ subroutine selfTest()
|
|||
if (any(dNeq0(math_eye(3),math_inv33(math_I3)))) &
|
||||
error stop 'math_inv33(math_I3)'
|
||||
|
||||
do while(abs(math_det33(t33))<1.0e-9_pReal)
|
||||
do while(abs(math_det33(t33))<1.0e-9_pREAL)
|
||||
call random_number(t33)
|
||||
end do
|
||||
if (any(dNeq0(matmul(t33,math_inv33(t33)) - math_eye(3),tol=1.0e-8_pReal))) &
|
||||
if (any(dNeq0(matmul(t33,math_inv33(t33)) - math_eye(3),tol=1.0e-8_pREAL))) &
|
||||
error stop 'math_inv33'
|
||||
|
||||
call math_invert33(t33_2,det,e,t33)
|
||||
if (any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pReal)) .or. e) &
|
||||
if (any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pREAL)) .or. e) &
|
||||
error stop 'math_invert33: T:T^-1 != I'
|
||||
if (dNeq(det,math_det33(t33),tol=1.0e-12_pReal)) &
|
||||
if (dNeq(det,math_det33(t33),tol=1.0e-12_pREAL)) &
|
||||
error stop 'math_invert33 (determinant)'
|
||||
|
||||
call math_invert(t33_2,e,t33)
|
||||
if (any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pReal)) .or. e) &
|
||||
if (any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pREAL)) .or. e) &
|
||||
error stop 'math_invert t33'
|
||||
|
||||
do while(math_det33(t33)<1.0e-2_pReal) ! O(det(F)) = 1
|
||||
do while(math_det33(t33)<1.0e-2_pREAL) ! O(det(F)) = 1
|
||||
call random_number(t33)
|
||||
end do
|
||||
t33_2 = math_rotationalPart(transpose(t33))
|
||||
t33 = math_rotationalPart(t33)
|
||||
if (any(dNeq0(matmul(t33_2,t33) - math_I3,tol=1.0e-10_pReal))) &
|
||||
if (any(dNeq0(matmul(t33_2,t33) - math_I3,tol=1.0e-10_pREAL))) &
|
||||
error stop 'math_rotationalPart (forward-backward)'
|
||||
if (dNeq(1.0_pReal,math_det33(math_rotationalPart(t33)),tol=1.0e-10_pReal)) &
|
||||
if (dNeq(1.0_pREAL,math_det33(math_rotationalPart(t33)),tol=1.0e-10_pREAL)) &
|
||||
error stop 'math_rotationalPart (determinant)'
|
||||
|
||||
call random_number(r)
|
||||
d = int(r*5.0_pReal) + 1
|
||||
d = int(r*5.0_pREAL) + 1
|
||||
txx = math_eye(d)
|
||||
allocate(txx_2(d,d))
|
||||
call math_invert(txx_2,e,txx)
|
||||
|
@ -1400,10 +1400,10 @@ subroutine selfTest()
|
|||
error stop 'math_invert(txx)/math_eye'
|
||||
|
||||
call math_invert(t99_2,e,t99) ! not sure how likely it is that we get a singular matrix
|
||||
if (any(dNeq0(matmul(t99_2,t99)-math_eye(9),tol=1.0e-9_pReal)) .or. e) &
|
||||
if (any(dNeq0(matmul(t99_2,t99)-math_eye(9),tol=1.0e-9_pREAL)) .or. e) &
|
||||
error stop 'math_invert(t99)'
|
||||
|
||||
if (any(dNeq(math_clip([4.0_pReal,9.0_pReal],5.0_pReal,6.5_pReal),[5.0_pReal,6.5_pReal]))) &
|
||||
if (any(dNeq(math_clip([4.0_pREAL,9.0_pREAL],5.0_pREAL,6.5_pREAL),[5.0_pREAL,6.5_pREAL]))) &
|
||||
error stop 'math_clip'
|
||||
|
||||
if (math_factorial(10) /= 3628800) &
|
||||
|
@ -1415,35 +1415,35 @@ subroutine selfTest()
|
|||
if (math_multinomial([1,2,3,4]) /= 12600) &
|
||||
error stop 'math_multinomial'
|
||||
|
||||
ijk = cshift([1,2,3],int(r*1.0e2_pReal))
|
||||
if (dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),+1.0_pReal)) &
|
||||
ijk = cshift([1,2,3],int(r*1.0e2_pREAL))
|
||||
if (dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),+1.0_pREAL)) &
|
||||
error stop 'math_LeviCivita(even)'
|
||||
ijk = cshift([3,2,1],int(r*2.0e2_pReal))
|
||||
if (dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),-1.0_pReal)) &
|
||||
ijk = cshift([3,2,1],int(r*2.0e2_pREAL))
|
||||
if (dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),-1.0_pREAL)) &
|
||||
error stop 'math_LeviCivita(odd)'
|
||||
ijk = cshift([2,2,1],int(r*2.0e2_pReal))
|
||||
ijk = cshift([2,2,1],int(r*2.0e2_pREAL))
|
||||
if (dNeq0(math_LeviCivita(ijk(1),ijk(2),ijk(3)))) &
|
||||
error stop 'math_LeviCivita'
|
||||
|
||||
normal_distribution: block
|
||||
integer, parameter :: N = 1000000
|
||||
real(pReal), dimension(:), allocatable :: r
|
||||
real(pReal) :: mu, sigma
|
||||
real(pREAL), dimension(:), allocatable :: r
|
||||
real(pREAL) :: mu, sigma
|
||||
|
||||
allocate(r(N))
|
||||
call random_number(mu)
|
||||
call random_number(sigma)
|
||||
|
||||
sigma = 1.0_pReal + sigma*5.0_pReal
|
||||
mu = (mu-0.5_pReal)*10_pReal
|
||||
sigma = 1.0_pREAL + sigma*5.0_pREAL
|
||||
mu = (mu-0.5_pREAL)*10_pREAL
|
||||
|
||||
call math_normal(r,mu,sigma)
|
||||
|
||||
if (abs(mu -sum(r)/real(N,pReal))>5.0e-2_pReal) &
|
||||
if (abs(mu -sum(r)/real(N,pREAL))>5.0e-2_pREAL) &
|
||||
error stop 'math_normal(mu)'
|
||||
|
||||
mu = sum(r)/real(N,pReal)
|
||||
if (abs(sigma**2 -1.0_pReal/real(N-1,pReal) * sum((r-mu)**2))/sigma > 5.0e-2_pReal) &
|
||||
mu = sum(r)/real(N,pREAL)
|
||||
if (abs(sigma**2 -1.0_pREAL/real(N-1,pREAL) * sum((r-mu)**2))/sigma > 5.0e-2_pREAL) &
|
||||
error stop 'math_normal(sigma)'
|
||||
end block normal_distribution
|
||||
|
||||
|
|
|
@ -23,7 +23,7 @@ program DAMASK_mesh
|
|||
implicit none(type,external)
|
||||
|
||||
type :: tLoadCase
|
||||
real(pReal) :: time = 0.0_pReal !< length of increment
|
||||
real(pREAL) :: time = 0.0_pREAL !< length of increment
|
||||
integer :: incs = 0, & !< number of increments
|
||||
outputfrequency = 1 !< frequency of result writes
|
||||
logical :: followFormerTrajectory = .true. !< follow trajectory of former loadcase
|
||||
|
@ -43,12 +43,12 @@ program DAMASK_mesh
|
|||
! loop variables, convergence etc.
|
||||
integer, parameter :: &
|
||||
subStepFactor = 2 !< for each substep, divide the last time increment by 2.0
|
||||
real(pReal) :: &
|
||||
time = 0.0_pReal, & !< elapsed time
|
||||
time0 = 0.0_pReal, & !< begin of interval
|
||||
timeinc = 0.0_pReal, & !< current time interval
|
||||
timeIncOld = 0.0_pReal, & !< previous time interval
|
||||
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
|
||||
real(pREAL) :: &
|
||||
time = 0.0_pREAL, & !< elapsed time
|
||||
time0 = 0.0_pREAL, & !< begin of interval
|
||||
timeinc = 0.0_pREAL, & !< current time interval
|
||||
timeIncOld = 0.0_pREAL, & !< previous time interval
|
||||
remainingLoadCaseTime = 0.0_pREAL !< remaining time of current load case
|
||||
logical :: &
|
||||
guess, & !< guess along former trajectory
|
||||
stagIterate
|
||||
|
@ -140,7 +140,7 @@ program DAMASK_mesh
|
|||
end select
|
||||
end do
|
||||
do component = 1, loadCases(i)%fieldBC(1)%nComponents
|
||||
allocate(loadCases(i)%fieldBC(1)%componentBC(component)%Value(mesh_Nboundaries), source = 0.0_pReal)
|
||||
allocate(loadCases(i)%fieldBC(1)%componentBC(component)%Value(mesh_Nboundaries), source = 0.0_pREAL)
|
||||
allocate(loadCases(i)%fieldBC(1)%componentBC(component)%Mask (mesh_Nboundaries), source = .false.)
|
||||
end do
|
||||
end do
|
||||
|
@ -240,7 +240,7 @@ program DAMASK_mesh
|
|||
|
||||
print'(/,1x,a)', '... writing initial configuration to file .................................'
|
||||
flush(IO_STDOUT)
|
||||
call materialpoint_result(0,0.0_pReal)
|
||||
call materialpoint_result(0,0.0_pREAL)
|
||||
|
||||
loadCaseLooping: do currentLoadCase = 1, size(loadCases)
|
||||
time0 = time ! load case start time
|
||||
|
@ -252,8 +252,8 @@ program DAMASK_mesh
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! forwarding time
|
||||
timeIncOld = timeinc ! last timeinc that brought former inc to an end
|
||||
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
|
||||
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pREAL)
|
||||
timeinc = timeinc * real(subStepFactor,pREAL)**real(-cutBackLevel,pREAL) ! depending on cut back level, decrease time step
|
||||
stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
|
||||
|
||||
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
|
||||
|
@ -298,7 +298,7 @@ program DAMASK_mesh
|
|||
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
|
||||
cutBackLevel = cutBackLevel + 1
|
||||
time = time - timeinc ! rewind time
|
||||
timeinc = timeinc/2.0_pReal
|
||||
timeinc = timeinc/2.0_pREAL
|
||||
print'(/,1x,a)', 'cutting back'
|
||||
else ! default behavior, exit if spectral solver does not converge
|
||||
if (worldrank == 0) close(statUnit)
|
||||
|
|
|
@ -10,18 +10,18 @@ module FEM_quadrature
|
|||
|
||||
integer, parameter :: &
|
||||
maxOrder = 5 !< maximum integration order
|
||||
real(pReal), dimension(2,3), parameter :: &
|
||||
triangle = reshape([-1.0_pReal, -1.0_pReal, &
|
||||
1.0_pReal, -1.0_pReal, &
|
||||
-1.0_pReal, 1.0_pReal], shape=[2,3])
|
||||
real(pReal), dimension(3,4), parameter :: &
|
||||
tetrahedron = reshape([-1.0_pReal, -1.0_pReal, -1.0_pReal, &
|
||||
1.0_pReal, -1.0_pReal, -1.0_pReal, &
|
||||
-1.0_pReal, 1.0_pReal, -1.0_pReal, &
|
||||
-1.0_pReal, -1.0_pReal, 1.0_pReal], shape=[3,4])
|
||||
real(pREAL), dimension(2,3), parameter :: &
|
||||
triangle = reshape([-1.0_pREAL, -1.0_pREAL, &
|
||||
1.0_pREAL, -1.0_pREAL, &
|
||||
-1.0_pREAL, 1.0_pREAL], shape=[2,3])
|
||||
real(pREAL), dimension(3,4), parameter :: &
|
||||
tetrahedron = reshape([-1.0_pREAL, -1.0_pREAL, -1.0_pREAL, &
|
||||
1.0_pREAL, -1.0_pREAL, -1.0_pREAL, &
|
||||
-1.0_pREAL, 1.0_pREAL, -1.0_pREAL, &
|
||||
-1.0_pREAL, -1.0_pREAL, 1.0_pREAL], shape=[3,4])
|
||||
|
||||
type :: group_real !< variable length datatype
|
||||
real(pReal), dimension(:), allocatable :: p
|
||||
real(pREAL), dimension(:), allocatable :: p
|
||||
end type group_real
|
||||
|
||||
integer, dimension(2:3,maxOrder), public, protected :: &
|
||||
|
@ -51,132 +51,132 @@ subroutine FEM_quadrature_init()
|
|||
FEM_nQuadrature(2,1) = 1
|
||||
|
||||
allocate(FEM_quadrature_weights(2,1)%p(FEM_nQuadrature(2,1)))
|
||||
FEM_quadrature_weights(2,1)%p(1) = 1._pReal
|
||||
FEM_quadrature_weights(2,1)%p(1) = 1._pREAL
|
||||
|
||||
FEM_quadrature_points (2,1)%p = permutationStar3([1._pReal/3._pReal])
|
||||
FEM_quadrature_points (2,1)%p = permutationStar3([1._pREAL/3._pREAL])
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 2D quadratic
|
||||
FEM_nQuadrature(2,2) = 3
|
||||
|
||||
allocate(FEM_quadrature_weights(2,2)%p(FEM_nQuadrature(2,2)))
|
||||
FEM_quadrature_weights(2,2)%p(1:3) = 1._pReal/3._pReal
|
||||
FEM_quadrature_weights(2,2)%p(1:3) = 1._pREAL/3._pREAL
|
||||
|
||||
FEM_quadrature_points (2,2)%p = permutationStar21([1._pReal/6._pReal])
|
||||
FEM_quadrature_points (2,2)%p = permutationStar21([1._pREAL/6._pREAL])
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 2D cubic
|
||||
FEM_nQuadrature(2,3) = 6
|
||||
|
||||
allocate(FEM_quadrature_weights(2,3)%p(FEM_nQuadrature(2,3)))
|
||||
FEM_quadrature_weights(2,3)%p(1:3) = 2.2338158967801147e-1_pReal
|
||||
FEM_quadrature_weights(2,3)%p(4:6) = 1.0995174365532187e-1_pReal
|
||||
FEM_quadrature_weights(2,3)%p(1:3) = 2.2338158967801147e-1_pREAL
|
||||
FEM_quadrature_weights(2,3)%p(4:6) = 1.0995174365532187e-1_pREAL
|
||||
|
||||
FEM_quadrature_points (2,3)%p = [ &
|
||||
permutationStar21([4.4594849091596489e-1_pReal]), &
|
||||
permutationStar21([9.157621350977074e-2_pReal]) ]
|
||||
permutationStar21([4.4594849091596489e-1_pREAL]), &
|
||||
permutationStar21([9.157621350977074e-2_pREAL]) ]
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 2D quartic
|
||||
FEM_nQuadrature(2,4) = 12
|
||||
|
||||
allocate(FEM_quadrature_weights(2,4)%p(FEM_nQuadrature(2,4)))
|
||||
FEM_quadrature_weights(2,4)%p(1:3) = 1.1678627572637937e-1_pReal
|
||||
FEM_quadrature_weights(2,4)%p(4:6) = 5.0844906370206817e-2_pReal
|
||||
FEM_quadrature_weights(2,4)%p(7:12) = 8.285107561837358e-2_pReal
|
||||
FEM_quadrature_weights(2,4)%p(1:3) = 1.1678627572637937e-1_pREAL
|
||||
FEM_quadrature_weights(2,4)%p(4:6) = 5.0844906370206817e-2_pREAL
|
||||
FEM_quadrature_weights(2,4)%p(7:12) = 8.285107561837358e-2_pREAL
|
||||
|
||||
FEM_quadrature_points (2,4)%p = [ &
|
||||
permutationStar21([2.4928674517091042e-1_pReal]), &
|
||||
permutationStar21([6.308901449150223e-2_pReal]), &
|
||||
permutationStar111([3.1035245103378440e-1_pReal, 5.3145049844816947e-2_pReal]) ]
|
||||
permutationStar21([2.4928674517091042e-1_pREAL]), &
|
||||
permutationStar21([6.308901449150223e-2_pREAL]), &
|
||||
permutationStar111([3.1035245103378440e-1_pREAL, 5.3145049844816947e-2_pREAL]) ]
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 2D quintic
|
||||
FEM_nQuadrature(2,5) = 16
|
||||
|
||||
allocate(FEM_quadrature_weights(2,5)%p(FEM_nQuadrature(2,5)))
|
||||
FEM_quadrature_weights(2,5)%p(1:1) = 1.4431560767778717e-1_pReal
|
||||
FEM_quadrature_weights(2,5)%p(2:4) = 9.509163426728463e-2_pReal
|
||||
FEM_quadrature_weights(2,5)%p(5:7) = 1.0321737053471825e-1_pReal
|
||||
FEM_quadrature_weights(2,5)%p(8:10) = 3.2458497623198080e-2_pReal
|
||||
FEM_quadrature_weights(2,5)%p(11:16) = 2.7230314174434994e-2_pReal
|
||||
FEM_quadrature_weights(2,5)%p(1:1) = 1.4431560767778717e-1_pREAL
|
||||
FEM_quadrature_weights(2,5)%p(2:4) = 9.509163426728463e-2_pREAL
|
||||
FEM_quadrature_weights(2,5)%p(5:7) = 1.0321737053471825e-1_pREAL
|
||||
FEM_quadrature_weights(2,5)%p(8:10) = 3.2458497623198080e-2_pREAL
|
||||
FEM_quadrature_weights(2,5)%p(11:16) = 2.7230314174434994e-2_pREAL
|
||||
|
||||
FEM_quadrature_points (2,5)%p = [ &
|
||||
permutationStar3([1._pReal/3._pReal]), &
|
||||
permutationStar21([4.5929258829272316e-1_pReal]), &
|
||||
permutationStar21([1.705693077517602e-1_pReal]), &
|
||||
permutationStar21([5.0547228317030975e-2_pReal]), &
|
||||
permutationStar111([2.631128296346381e-1_pReal, 8.3947774099576053e-2_pReal]) ]
|
||||
permutationStar3([1._pREAL/3._pREAL]), &
|
||||
permutationStar21([4.5929258829272316e-1_pREAL]), &
|
||||
permutationStar21([1.705693077517602e-1_pREAL]), &
|
||||
permutationStar21([5.0547228317030975e-2_pREAL]), &
|
||||
permutationStar111([2.631128296346381e-1_pREAL, 8.3947774099576053e-2_pREAL]) ]
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 3D linear
|
||||
FEM_nQuadrature(3,1) = 1
|
||||
|
||||
allocate(FEM_quadrature_weights(3,1)%p(FEM_nQuadrature(3,1)))
|
||||
FEM_quadrature_weights(3,1)%p(1) = 1.0_pReal
|
||||
FEM_quadrature_weights(3,1)%p(1) = 1.0_pREAL
|
||||
|
||||
FEM_quadrature_points (3,1)%p = permutationStar4([0.25_pReal])
|
||||
FEM_quadrature_points (3,1)%p = permutationStar4([0.25_pREAL])
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 3D quadratic
|
||||
FEM_nQuadrature(3,2) = 4
|
||||
|
||||
allocate(FEM_quadrature_weights(3,2)%p(FEM_nQuadrature(3,2)))
|
||||
FEM_quadrature_weights(3,2)%p(1:4) = 0.25_pReal
|
||||
FEM_quadrature_weights(3,2)%p(1:4) = 0.25_pREAL
|
||||
|
||||
FEM_quadrature_points (3,2)%p = permutationStar31([1.3819660112501052e-1_pReal])
|
||||
FEM_quadrature_points (3,2)%p = permutationStar31([1.3819660112501052e-1_pREAL])
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 3D cubic
|
||||
FEM_nQuadrature(3,3) = 14
|
||||
|
||||
allocate(FEM_quadrature_weights(3,3)%p(FEM_nQuadrature(3,3)))
|
||||
FEM_quadrature_weights(3,3)%p(1:4) = 7.3493043116361949e-2_pReal
|
||||
FEM_quadrature_weights(3,3)%p(5:8) = 1.1268792571801585e-1_pReal
|
||||
FEM_quadrature_weights(3,3)%p(9:14) = 4.2546020777081467e-2_pReal
|
||||
FEM_quadrature_weights(3,3)%p(1:4) = 7.3493043116361949e-2_pREAL
|
||||
FEM_quadrature_weights(3,3)%p(5:8) = 1.1268792571801585e-1_pREAL
|
||||
FEM_quadrature_weights(3,3)%p(9:14) = 4.2546020777081467e-2_pREAL
|
||||
|
||||
FEM_quadrature_points (3,3)%p = [ &
|
||||
permutationStar31([9.273525031089123e-2_pReal]), &
|
||||
permutationStar31([3.108859192633006e-1_pReal]), &
|
||||
permutationStar22([4.5503704125649649e-2_pReal]) ]
|
||||
permutationStar31([9.273525031089123e-2_pREAL]), &
|
||||
permutationStar31([3.108859192633006e-1_pREAL]), &
|
||||
permutationStar22([4.5503704125649649e-2_pREAL]) ]
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 3D quartic (lower precision/unknown source)
|
||||
FEM_nQuadrature(3,4) = 35
|
||||
|
||||
allocate(FEM_quadrature_weights(3,4)%p(FEM_nQuadrature(3,4)))
|
||||
FEM_quadrature_weights(3,4)%p(1:4) = 0.0021900463965388_pReal
|
||||
FEM_quadrature_weights(3,4)%p(5:16) = 0.0143395670177665_pReal
|
||||
FEM_quadrature_weights(3,4)%p(17:22) = 0.0250305395686746_pReal
|
||||
FEM_quadrature_weights(3,4)%p(23:34) = 0.0479839333057554_pReal
|
||||
FEM_quadrature_weights(3,4)%p(35) = 0.0931745731195340_pReal
|
||||
FEM_quadrature_weights(3,4)%p(1:4) = 0.0021900463965388_pREAL
|
||||
FEM_quadrature_weights(3,4)%p(5:16) = 0.0143395670177665_pREAL
|
||||
FEM_quadrature_weights(3,4)%p(17:22) = 0.0250305395686746_pREAL
|
||||
FEM_quadrature_weights(3,4)%p(23:34) = 0.0479839333057554_pREAL
|
||||
FEM_quadrature_weights(3,4)%p(35) = 0.0931745731195340_pREAL
|
||||
|
||||
FEM_quadrature_points (3,4)%p = [ &
|
||||
permutationStar31([0.0267367755543735_pReal]), &
|
||||
permutationStar211([0.0391022406356488_pReal, 0.7477598884818090_pReal]), &
|
||||
permutationStar22([0.4547545999844830_pReal]), &
|
||||
permutationStar211([0.2232010379623150_pReal, 0.0504792790607720_pReal]), &
|
||||
permutationStar4([0.25_pReal]) ]
|
||||
permutationStar31([0.0267367755543735_pREAL]), &
|
||||
permutationStar211([0.0391022406356488_pREAL, 0.7477598884818090_pREAL]), &
|
||||
permutationStar22([0.4547545999844830_pREAL]), &
|
||||
permutationStar211([0.2232010379623150_pREAL, 0.0504792790607720_pREAL]), &
|
||||
permutationStar4([0.25_pREAL]) ]
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 3D quintic (lower precision/unknown source)
|
||||
FEM_nQuadrature(3,5) = 56
|
||||
|
||||
allocate(FEM_quadrature_weights(3,5)%p(FEM_nQuadrature(3,5)))
|
||||
FEM_quadrature_weights(3,5)%p(1:4) = 0.0010373112336140_pReal
|
||||
FEM_quadrature_weights(3,5)%p(5:16) = 0.0096016645399480_pReal
|
||||
FEM_quadrature_weights(3,5)%p(17:28) = 0.0164493976798232_pReal
|
||||
FEM_quadrature_weights(3,5)%p(29:40) = 0.0153747766513310_pReal
|
||||
FEM_quadrature_weights(3,5)%p(41:52) = 0.0293520118375230_pReal
|
||||
FEM_quadrature_weights(3,5)%p(53:56) = 0.0366291366405108_pReal
|
||||
FEM_quadrature_weights(3,5)%p(1:4) = 0.0010373112336140_pREAL
|
||||
FEM_quadrature_weights(3,5)%p(5:16) = 0.0096016645399480_pREAL
|
||||
FEM_quadrature_weights(3,5)%p(17:28) = 0.0164493976798232_pREAL
|
||||
FEM_quadrature_weights(3,5)%p(29:40) = 0.0153747766513310_pREAL
|
||||
FEM_quadrature_weights(3,5)%p(41:52) = 0.0293520118375230_pREAL
|
||||
FEM_quadrature_weights(3,5)%p(53:56) = 0.0366291366405108_pREAL
|
||||
|
||||
FEM_quadrature_points (3,5)%p = [ &
|
||||
permutationStar31([0.0149520651530592_pReal]), &
|
||||
permutationStar211([0.0340960211962615_pReal, 0.1518319491659370_pReal]), &
|
||||
permutationStar211([0.0462051504150017_pReal, 0.3549340560639790_pReal]), &
|
||||
permutationStar211([0.2281904610687610_pReal, 0.0055147549744775_pReal]), &
|
||||
permutationStar211([0.3523052600879940_pReal, 0.0992057202494530_pReal]), &
|
||||
permutationStar31([0.1344783347929940_pReal]) ]
|
||||
permutationStar31([0.0149520651530592_pREAL]), &
|
||||
permutationStar211([0.0340960211962615_pREAL, 0.1518319491659370_pREAL]), &
|
||||
permutationStar211([0.0462051504150017_pREAL, 0.3549340560639790_pREAL]), &
|
||||
permutationStar211([0.2281904610687610_pREAL, 0.0055147549744775_pREAL]), &
|
||||
permutationStar211([0.3523052600879940_pREAL, 0.0992057202494530_pREAL]), &
|
||||
permutationStar31([0.1344783347929940_pREAL]) ]
|
||||
|
||||
call selfTest()
|
||||
|
||||
|
@ -188,8 +188,8 @@ end subroutine FEM_quadrature_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function permutationStar3(point) result(qPt)
|
||||
|
||||
real(pReal), dimension(2) :: qPt
|
||||
real(pReal), dimension(1), intent(in) :: point
|
||||
real(pREAL), dimension(2) :: qPt
|
||||
real(pREAL), dimension(1), intent(in) :: point
|
||||
|
||||
|
||||
qPt = pack(matmul(triangle,reshape([ &
|
||||
|
@ -203,14 +203,14 @@ end function permutationStar3
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function permutationStar21(point) result(qPt)
|
||||
|
||||
real(pReal), dimension(6) :: qPt
|
||||
real(pReal), dimension(1), intent(in) :: point
|
||||
real(pREAL), dimension(6) :: qPt
|
||||
real(pREAL), dimension(1), intent(in) :: point
|
||||
|
||||
|
||||
qPt = pack(matmul(triangle,reshape([ &
|
||||
point(1), point(1), 1.0_pReal - 2.0_pReal*point(1), &
|
||||
point(1), 1.0_pReal - 2.0_pReal*point(1), point(1), &
|
||||
1.0_pReal - 2.0_pReal*point(1), point(1), point(1)],[3,3])),.true.)
|
||||
point(1), point(1), 1.0_pREAL - 2.0_pREAL*point(1), &
|
||||
point(1), 1.0_pREAL - 2.0_pREAL*point(1), point(1), &
|
||||
1.0_pREAL - 2.0_pREAL*point(1), point(1), point(1)],[3,3])),.true.)
|
||||
|
||||
end function permutationStar21
|
||||
|
||||
|
@ -220,17 +220,17 @@ end function permutationStar21
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function permutationStar111(point) result(qPt)
|
||||
|
||||
real(pReal), dimension(12) :: qPt
|
||||
real(pReal), dimension(2), intent(in) :: point
|
||||
real(pREAL), dimension(12) :: qPt
|
||||
real(pREAL), dimension(2), intent(in) :: point
|
||||
|
||||
|
||||
qPt = pack(matmul(triangle,reshape([ &
|
||||
point(1), point(2), 1.0_pReal - point(1) - point(2), &
|
||||
point(1), 1.0_pReal - point(1) - point(2), point(2), &
|
||||
point(2), point(1), 1.0_pReal - point(1) - point(2), &
|
||||
point(2), 1.0_pReal - point(1) - point(2), point(1), &
|
||||
1.0_pReal - point(1) - point(2), point(2), point(1), &
|
||||
1.0_pReal - point(1) - point(2), point(1), point(2)],[3,6])),.true.)
|
||||
point(1), point(2), 1.0_pREAL - point(1) - point(2), &
|
||||
point(1), 1.0_pREAL - point(1) - point(2), point(2), &
|
||||
point(2), point(1), 1.0_pREAL - point(1) - point(2), &
|
||||
point(2), 1.0_pREAL - point(1) - point(2), point(1), &
|
||||
1.0_pREAL - point(1) - point(2), point(2), point(1), &
|
||||
1.0_pREAL - point(1) - point(2), point(1), point(2)],[3,6])),.true.)
|
||||
|
||||
end function permutationStar111
|
||||
|
||||
|
@ -240,8 +240,8 @@ end function permutationStar111
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function permutationStar4(point) result(qPt)
|
||||
|
||||
real(pReal), dimension(3) :: qPt
|
||||
real(pReal), dimension(1), intent(in) :: point
|
||||
real(pREAL), dimension(3) :: qPt
|
||||
real(pREAL), dimension(1), intent(in) :: point
|
||||
|
||||
|
||||
qPt = pack(matmul(tetrahedron,reshape([ &
|
||||
|
@ -255,15 +255,15 @@ end function permutationStar4
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function permutationStar31(point) result(qPt)
|
||||
|
||||
real(pReal), dimension(12) :: qPt
|
||||
real(pReal), dimension(1), intent(in) :: point
|
||||
real(pREAL), dimension(12) :: qPt
|
||||
real(pREAL), dimension(1), intent(in) :: point
|
||||
|
||||
|
||||
qPt = pack(matmul(tetrahedron,reshape([ &
|
||||
point(1), point(1), point(1), 1.0_pReal - 3.0_pReal*point(1), &
|
||||
point(1), point(1), 1.0_pReal - 3.0_pReal*point(1), point(1), &
|
||||
point(1), 1.0_pReal - 3.0_pReal*point(1), point(1), point(1), &
|
||||
1.0_pReal - 3.0_pReal*point(1), point(1), point(1), point(1)],[4,4])),.true.)
|
||||
point(1), point(1), point(1), 1.0_pREAL - 3.0_pREAL*point(1), &
|
||||
point(1), point(1), 1.0_pREAL - 3.0_pREAL*point(1), point(1), &
|
||||
point(1), 1.0_pREAL - 3.0_pREAL*point(1), point(1), point(1), &
|
||||
1.0_pREAL - 3.0_pREAL*point(1), point(1), point(1), point(1)],[4,4])),.true.)
|
||||
|
||||
end function permutationStar31
|
||||
|
||||
|
@ -273,17 +273,17 @@ end function permutationStar31
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function permutationStar22(point) result(qPt)
|
||||
|
||||
real(pReal), dimension(18) :: qPt
|
||||
real(pReal), dimension(1), intent(in) :: point
|
||||
real(pREAL), dimension(18) :: qPt
|
||||
real(pREAL), dimension(1), intent(in) :: point
|
||||
|
||||
|
||||
qPt = pack(matmul(tetrahedron,reshape([ &
|
||||
point(1), point(1), 0.5_pReal - point(1), 0.5_pReal - point(1), &
|
||||
point(1), 0.5_pReal - point(1), point(1), 0.5_pReal - point(1), &
|
||||
0.5_pReal - point(1), point(1), point(1), 0.5_pReal - point(1), &
|
||||
0.5_pReal - point(1), point(1), 0.5_pReal - point(1), point(1), &
|
||||
0.5_pReal - point(1), 0.5_pReal - point(1), point(1), point(1), &
|
||||
point(1), 0.5_pReal - point(1), 0.5_pReal - point(1), point(1)],[4,6])),.true.)
|
||||
point(1), point(1), 0.5_pREAL - point(1), 0.5_pREAL - point(1), &
|
||||
point(1), 0.5_pREAL - point(1), point(1), 0.5_pREAL - point(1), &
|
||||
0.5_pREAL - point(1), point(1), point(1), 0.5_pREAL - point(1), &
|
||||
0.5_pREAL - point(1), point(1), 0.5_pREAL - point(1), point(1), &
|
||||
0.5_pREAL - point(1), 0.5_pREAL - point(1), point(1), point(1), &
|
||||
point(1), 0.5_pREAL - point(1), 0.5_pREAL - point(1), point(1)],[4,6])),.true.)
|
||||
|
||||
end function permutationStar22
|
||||
|
||||
|
@ -293,23 +293,23 @@ end function permutationStar22
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function permutationStar211(point) result(qPt)
|
||||
|
||||
real(pReal), dimension(36) :: qPt
|
||||
real(pReal), dimension(2), intent(in) :: point
|
||||
real(pREAL), dimension(36) :: qPt
|
||||
real(pREAL), dimension(2), intent(in) :: point
|
||||
|
||||
|
||||
qPt = pack(matmul(tetrahedron,reshape([ &
|
||||
point(1), point(1), point(2), 1.0_pReal - 2.0_pReal*point(1) - point(2), &
|
||||
point(1), point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(2), &
|
||||
point(1), point(2), point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), &
|
||||
point(1), point(2), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), &
|
||||
point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), point(2), &
|
||||
point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(2), point(1), &
|
||||
point(2), point(1), point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), &
|
||||
point(2), point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), &
|
||||
point(2), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), point(1), &
|
||||
1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), point(1), point(2), &
|
||||
1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), point(2), point(1), &
|
||||
1.0_pReal - 2.0_pReal*point(1) - point(2), point(2), point(1), point(1)],[4,12])),.true.)
|
||||
point(1), point(1), point(2), 1.0_pREAL - 2.0_pREAL*point(1) - point(2), &
|
||||
point(1), point(1), 1.0_pREAL - 2.0_pREAL*point(1) - point(2), point(2), &
|
||||
point(1), point(2), point(1), 1.0_pREAL - 2.0_pREAL*point(1) - point(2), &
|
||||
point(1), point(2), 1.0_pREAL - 2.0_pREAL*point(1) - point(2), point(1), &
|
||||
point(1), 1.0_pREAL - 2.0_pREAL*point(1) - point(2), point(1), point(2), &
|
||||
point(1), 1.0_pREAL - 2.0_pREAL*point(1) - point(2), point(2), point(1), &
|
||||
point(2), point(1), point(1), 1.0_pREAL - 2.0_pREAL*point(1) - point(2), &
|
||||
point(2), point(1), 1.0_pREAL - 2.0_pREAL*point(1) - point(2), point(1), &
|
||||
point(2), 1.0_pREAL - 2.0_pREAL*point(1) - point(2), point(1), point(1), &
|
||||
1.0_pREAL - 2.0_pREAL*point(1) - point(2), point(1), point(1), point(2), &
|
||||
1.0_pREAL - 2.0_pREAL*point(1) - point(2), point(1), point(2), point(1), &
|
||||
1.0_pREAL - 2.0_pREAL*point(1) - point(2), point(2), point(1), point(1)],[4,12])),.true.)
|
||||
|
||||
end function permutationStar211
|
||||
|
||||
|
@ -319,35 +319,35 @@ end function permutationStar211
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function permutationStar1111(point) result(qPt)
|
||||
|
||||
real(pReal), dimension(72) :: qPt
|
||||
real(pReal), dimension(3), intent(in) :: point
|
||||
real(pREAL), dimension(72) :: qPt
|
||||
real(pREAL), dimension(3), intent(in) :: point
|
||||
|
||||
|
||||
qPt = pack(matmul(tetrahedron,reshape([ &
|
||||
point(1), point(2), point(3), 1.0_pReal - point(1) - point(2)- point(3), &
|
||||
point(1), point(2), 1.0_pReal - point(1) - point(2)- point(3), point(3), &
|
||||
point(1), point(3), point(2), 1.0_pReal - point(1) - point(2)- point(3), &
|
||||
point(1), point(3), 1.0_pReal - point(1) - point(2)- point(3), point(2), &
|
||||
point(1), 1.0_pReal - point(1) - point(2)- point(3), point(2), point(3), &
|
||||
point(1), 1.0_pReal - point(1) - point(2)- point(3), point(3), point(2), &
|
||||
point(2), point(1), point(3), 1.0_pReal - point(1) - point(2)- point(3), &
|
||||
point(2), point(1), 1.0_pReal - point(1) - point(2)- point(3), point(3), &
|
||||
point(2), point(3), point(1), 1.0_pReal - point(1) - point(2)- point(3), &
|
||||
point(2), point(3), 1.0_pReal - point(1) - point(2)- point(3), point(1), &
|
||||
point(2), 1.0_pReal - point(1) - point(2)- point(3), point(1), point(3), &
|
||||
point(2), 1.0_pReal - point(1) - point(2)- point(3), point(3), point(1), &
|
||||
point(3), point(1), point(2), 1.0_pReal - point(1) - point(2)- point(3), &
|
||||
point(3), point(1), 1.0_pReal - point(1) - point(2)- point(3), point(2), &
|
||||
point(3), point(2), point(1), 1.0_pReal - point(1) - point(2)- point(3), &
|
||||
point(3), point(2), 1.0_pReal - point(1) - point(2)- point(3), point(1), &
|
||||
point(3), 1.0_pReal - point(1) - point(2)- point(3), point(1), point(2), &
|
||||
point(3), 1.0_pReal - point(1) - point(2)- point(3), point(2), point(1), &
|
||||
1.0_pReal - point(1) - point(2)- point(3), point(1), point(2), point(3), &
|
||||
1.0_pReal - point(1) - point(2)- point(3), point(1), point(3), point(2), &
|
||||
1.0_pReal - point(1) - point(2)- point(3), point(2), point(1), point(3), &
|
||||
1.0_pReal - point(1) - point(2)- point(3), point(2), point(3), point(1), &
|
||||
1.0_pReal - point(1) - point(2)- point(3), point(3), point(1), point(2), &
|
||||
1.0_pReal - point(1) - point(2)- point(3), point(3), point(2), point(1)],[4,24])),.true.)
|
||||
point(1), point(2), point(3), 1.0_pREAL - point(1) - point(2)- point(3), &
|
||||
point(1), point(2), 1.0_pREAL - point(1) - point(2)- point(3), point(3), &
|
||||
point(1), point(3), point(2), 1.0_pREAL - point(1) - point(2)- point(3), &
|
||||
point(1), point(3), 1.0_pREAL - point(1) - point(2)- point(3), point(2), &
|
||||
point(1), 1.0_pREAL - point(1) - point(2)- point(3), point(2), point(3), &
|
||||
point(1), 1.0_pREAL - point(1) - point(2)- point(3), point(3), point(2), &
|
||||
point(2), point(1), point(3), 1.0_pREAL - point(1) - point(2)- point(3), &
|
||||
point(2), point(1), 1.0_pREAL - point(1) - point(2)- point(3), point(3), &
|
||||
point(2), point(3), point(1), 1.0_pREAL - point(1) - point(2)- point(3), &
|
||||
point(2), point(3), 1.0_pREAL - point(1) - point(2)- point(3), point(1), &
|
||||
point(2), 1.0_pREAL - point(1) - point(2)- point(3), point(1), point(3), &
|
||||
point(2), 1.0_pREAL - point(1) - point(2)- point(3), point(3), point(1), &
|
||||
point(3), point(1), point(2), 1.0_pREAL - point(1) - point(2)- point(3), &
|
||||
point(3), point(1), 1.0_pREAL - point(1) - point(2)- point(3), point(2), &
|
||||
point(3), point(2), point(1), 1.0_pREAL - point(1) - point(2)- point(3), &
|
||||
point(3), point(2), 1.0_pREAL - point(1) - point(2)- point(3), point(1), &
|
||||
point(3), 1.0_pREAL - point(1) - point(2)- point(3), point(1), point(2), &
|
||||
point(3), 1.0_pREAL - point(1) - point(2)- point(3), point(2), point(1), &
|
||||
1.0_pREAL - point(1) - point(2)- point(3), point(1), point(2), point(3), &
|
||||
1.0_pREAL - point(1) - point(2)- point(3), point(1), point(3), point(2), &
|
||||
1.0_pREAL - point(1) - point(2)- point(3), point(2), point(1), point(3), &
|
||||
1.0_pREAL - point(1) - point(2)- point(3), point(2), point(3), point(1), &
|
||||
1.0_pREAL - point(1) - point(2)- point(3), point(3), point(1), point(2), &
|
||||
1.0_pREAL - point(1) - point(2)- point(3), point(3), point(2), point(1)],[4,24])),.true.)
|
||||
|
||||
end function permutationStar1111
|
||||
|
||||
|
@ -358,12 +358,12 @@ end function permutationStar1111
|
|||
subroutine selfTest
|
||||
|
||||
integer :: o, d, n
|
||||
real(pReal), dimension(2:3), parameter :: w = [3.0_pReal,2.0_pReal]
|
||||
real(pREAL), dimension(2:3), parameter :: w = [3.0_pREAL,2.0_pREAL]
|
||||
|
||||
|
||||
do d = lbound(FEM_quadrature_weights,1), ubound(FEM_quadrature_weights,1)
|
||||
do o = lbound(FEM_quadrature_weights(d,:),1), ubound(FEM_quadrature_weights(d,:),1)
|
||||
if (dNeq(sum(FEM_quadrature_weights(d,o)%p),1.0_pReal,5e-15_pReal)) &
|
||||
if (dNeq(sum(FEM_quadrature_weights(d,o)%p),1.0_pREAL,5e-15_pREAL)) &
|
||||
error stop 'quadrature weights'
|
||||
end do
|
||||
end do
|
||||
|
@ -371,7 +371,7 @@ subroutine selfTest
|
|||
do d = lbound(FEM_quadrature_points,1), ubound(FEM_quadrature_points,1)
|
||||
do o = lbound(FEM_quadrature_points(d,:),1), ubound(FEM_quadrature_points(d,:),1)
|
||||
n = size(FEM_quadrature_points(d,o)%p,1)/d
|
||||
if (any(dNeq(sum(reshape(FEM_quadrature_points(d,o)%p,[d,n]),2),-real(n,pReal)/w(d),1.e-14_pReal))) &
|
||||
if (any(dNeq(sum(reshape(FEM_quadrature_points(d,o)%p,[d,n]),2),-real(n,pREAL)/w(d),1.e-14_pREAL))) &
|
||||
error stop 'quadrature points'
|
||||
end do
|
||||
end do
|
||||
|
|
|
@ -29,7 +29,7 @@ module FEM_utilities
|
|||
private
|
||||
|
||||
logical, public :: cutBack = .false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
|
||||
real(pReal), public, protected :: wgt !< weighting factor 1/Nelems
|
||||
real(pREAL), public, protected :: wgt !< weighting factor 1/Nelems
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -59,7 +59,7 @@ module FEM_utilities
|
|||
|
||||
type, public :: tComponentBC
|
||||
integer(kind(COMPONENT_UNDEFINED_ID)) :: ID
|
||||
real(pReal), allocatable, dimension(:) :: Value
|
||||
real(pREAL), allocatable, dimension(:) :: Value
|
||||
logical, allocatable, dimension(:) :: Mask
|
||||
end type tComponentBC
|
||||
|
||||
|
@ -128,7 +128,7 @@ subroutine FEM_utilities_init
|
|||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_optionsOrder),err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
||||
wgt = real(mesh_maxNips*mesh_NcpElemsGlobal,pReal)**(-1)
|
||||
wgt = real(mesh_maxNips*mesh_NcpElemsGlobal,pREAL)**(-1)
|
||||
|
||||
|
||||
end subroutine FEM_utilities_init
|
||||
|
@ -139,9 +139,9 @@ end subroutine FEM_utilities_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
|
||||
|
||||
real(pReal), intent(in) :: timeinc !< loading time
|
||||
real(pREAL), intent(in) :: timeinc !< loading time
|
||||
logical, intent(in) :: forwardData !< age results
|
||||
real(pReal),intent(out), dimension(3,3) :: P_av !< average PK stress
|
||||
real(pREAL),intent(out), dimension(3,3) :: P_av !< average PK stress
|
||||
|
||||
integer(MPI_INTEGER_KIND) :: err_MPI
|
||||
|
||||
|
@ -170,8 +170,8 @@ subroutine utilities_projectBCValues(localVec,section,field,comp,bcPointsIS,BCVa
|
|||
PetscSection :: section
|
||||
IS :: bcPointsIS
|
||||
PetscInt, pointer :: bcPoints(:)
|
||||
real(pReal), pointer :: localArray(:)
|
||||
real(pReal) :: BCValue,BCDotValue,timeinc
|
||||
real(pREAL), pointer :: localArray(:)
|
||||
real(pREAL) :: BCValue,BCDotValue,timeinc
|
||||
PetscErrorCode :: err_PETSc
|
||||
|
||||
|
||||
|
|
|
@ -49,11 +49,11 @@ module discretization_mesh
|
|||
PetscInt, dimension(:), allocatable, public, protected :: &
|
||||
mesh_boundaries
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:), allocatable :: &
|
||||
mesh_ipVolume, & !< volume associated with IP (initially!)
|
||||
mesh_node0 !< node x,y,z coordinates (initially!)
|
||||
|
||||
real(pReal), dimension(:,:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:,:), allocatable :: &
|
||||
mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!)
|
||||
|
||||
#ifdef PETSC_USE_64BIT_INDICES
|
||||
|
@ -92,7 +92,7 @@ subroutine discretization_mesh_init(restart)
|
|||
num_mesh
|
||||
integer :: p_i, dim !< integration order (quadrature rule)
|
||||
type(tvec) :: coords_node0
|
||||
real(pReal), pointer, dimension(:) :: &
|
||||
real(pREAL), pointer, dimension(:) :: &
|
||||
mesh_node0_temp
|
||||
|
||||
print'(/,1x,a)', '<<<+- discretization_mesh init -+>>>'
|
||||
|
@ -176,7 +176,7 @@ subroutine discretization_mesh_init(restart)
|
|||
end do
|
||||
materialAt = materialAt + 1_pPETSCINT
|
||||
|
||||
allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal)
|
||||
allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pREAL)
|
||||
mesh_node0(1:dimPlex,:) = reshape(mesh_node0_temp,[dimPlex,mesh_Nnodes])
|
||||
|
||||
|
||||
|
@ -200,7 +200,7 @@ subroutine mesh_FEM_build_ipVolumes(dimPlex)
|
|||
PetscInt :: cellStart, cellEnd, cell
|
||||
PetscErrorCode :: err_PETSc
|
||||
|
||||
allocate(mesh_ipVolume(mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
|
||||
allocate(mesh_ipVolume(mesh_maxNips,mesh_NcpElems),source=0.0_pREAL)
|
||||
|
||||
call DMPlexGetHeightStratum(geomMesh,0_pPETSCINT,cellStart,cellEnd,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -209,7 +209,7 @@ subroutine mesh_FEM_build_ipVolumes(dimPlex)
|
|||
do cell = cellStart, cellEnd-1
|
||||
call DMPlexComputeCellGeometryFVM(geomMesh,cell,vol,pCent,pNorm,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
mesh_ipVolume(:,cell+1) = vol/real(mesh_maxNips,pReal)
|
||||
mesh_ipVolume(:,cell+1) = vol/real(mesh_maxNips,pREAL)
|
||||
end do
|
||||
|
||||
end subroutine mesh_FEM_build_ipVolumes
|
||||
|
@ -229,7 +229,7 @@ subroutine mesh_FEM_build_ipCoordinates(dimPlex,qPoints)
|
|||
PetscErrorCode :: err_PETSc
|
||||
|
||||
|
||||
allocate(mesh_ipCoordinates(3,mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
|
||||
allocate(mesh_ipCoordinates(3,mesh_maxNips,mesh_NcpElems),source=0.0_pREAL)
|
||||
|
||||
allocate(pV0(dimPlex))
|
||||
allocatE(pCellJ(dimPlex**2))
|
||||
|
@ -245,7 +245,7 @@ subroutine mesh_FEM_build_ipCoordinates(dimPlex,qPoints)
|
|||
mesh_ipCoordinates(dirI,qPt,cell+1) = pV0(dirI)
|
||||
do dirJ = 1_pPETSCINT, dimPlex
|
||||
mesh_ipCoordinates(dirI,qPt,cell+1) = mesh_ipCoordinates(dirI,qPt,cell+1) + &
|
||||
pCellJ((dirI-1)*dimPlex+dirJ)*(qPoints(qOffset+dirJ) + 1.0_pReal)
|
||||
pCellJ((dirI-1)*dimPlex+dirJ)*(qPoints(qOffset+dirJ) + 1.0_pREAL)
|
||||
end do
|
||||
end do
|
||||
qOffset = qOffset + dimPlex
|
||||
|
@ -259,7 +259,7 @@ end subroutine mesh_FEM_build_ipCoordinates
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine writeGeometry(coordinates_points,coordinates_nodes)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: &
|
||||
real(pREAL), dimension(:,:), intent(in) :: &
|
||||
coordinates_nodes, &
|
||||
coordinates_points
|
||||
|
||||
|
|
|
@ -37,7 +37,7 @@ module mesh_mechanical_FEM
|
|||
! derived types
|
||||
type tSolutionParams
|
||||
type(tFieldBC) :: fieldBC
|
||||
real(pReal) :: timeinc
|
||||
real(pREAL) :: timeinc
|
||||
end type tSolutionParams
|
||||
|
||||
type(tSolutionParams) :: params
|
||||
|
@ -48,7 +48,7 @@ module mesh_mechanical_FEM
|
|||
itmax
|
||||
logical :: &
|
||||
BBarStabilisation
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
eps_struct_atol, & !< absolute tolerance for mechanical equilibrium
|
||||
eps_struct_rtol !< relative tolerance for mechanical equilibrium
|
||||
end type tNumerics
|
||||
|
@ -66,10 +66,10 @@ module mesh_mechanical_FEM
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
character(len=pSTRLEN) :: incInfo
|
||||
real(pReal), dimension(3,3) :: &
|
||||
P_av = 0.0_pReal
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
P_av = 0.0_pREAL
|
||||
logical :: ForwardData
|
||||
real(pReal), parameter :: eps = 1.0e-18_pReal
|
||||
real(pREAL), parameter :: eps = 1.0e-18_pREAL
|
||||
|
||||
external :: & ! ToDo: write interfaces
|
||||
#ifdef PETSC_USE_64BIT_INDICES
|
||||
|
@ -120,12 +120,12 @@ subroutine FEM_mechanical_init(fieldBC)
|
|||
PetscReal :: detJ
|
||||
PetscReal, allocatable, target :: cellJMat(:,:)
|
||||
|
||||
real(pReal), pointer, dimension(:) :: px_scal
|
||||
real(pReal), allocatable, target, dimension(:) :: x_scal
|
||||
real(pREAL), pointer, dimension(:) :: px_scal
|
||||
real(pREAL), allocatable, target, dimension(:) :: x_scal
|
||||
|
||||
character(len=*), parameter :: prefix = 'mechFE_'
|
||||
PetscErrorCode :: err_PETSc
|
||||
real(pReal), dimension(3,3) :: devNull
|
||||
real(pREAL), dimension(3,3) :: devNull
|
||||
type(tDict), pointer :: &
|
||||
num_mesh
|
||||
|
||||
|
@ -137,12 +137,12 @@ subroutine FEM_mechanical_init(fieldBC)
|
|||
num%p_i = int(num_mesh%get_asInt('p_i',defaultVal = 2),pPETSCINT)
|
||||
num%itmax = int(num_mesh%get_asInt('itmax',defaultVal=250),pPETSCINT)
|
||||
num%BBarStabilisation = num_mesh%get_asBool('bbarstabilisation',defaultVal = .false.)
|
||||
num%eps_struct_atol = num_mesh%get_asReal('eps_struct_atol', defaultVal = 1.0e-10_pReal)
|
||||
num%eps_struct_rtol = num_mesh%get_asReal('eps_struct_rtol', defaultVal = 1.0e-4_pReal)
|
||||
num%eps_struct_atol = num_mesh%get_asReal('eps_struct_atol', defaultVal = 1.0e-10_pREAL)
|
||||
num%eps_struct_rtol = num_mesh%get_asReal('eps_struct_rtol', defaultVal = 1.0e-4_pREAL)
|
||||
|
||||
if (num%itmax <= 1) call IO_error(301,ext_msg='itmax')
|
||||
if (num%eps_struct_rtol <= 0.0_pReal) call IO_error(301,ext_msg='eps_struct_rtol')
|
||||
if (num%eps_struct_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_struct_atol')
|
||||
if (num%eps_struct_rtol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_struct_rtol')
|
||||
if (num%eps_struct_atol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_struct_atol')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! Setup FEM mech mesh
|
||||
|
@ -264,16 +264,16 @@ subroutine FEM_mechanical_init(fieldBC)
|
|||
CHKERRQ(err_PETSc)
|
||||
call SNESSetConvergenceTest(mechanical_snes,FEM_mechanical_converged,PETSC_NULL_VEC,PETSC_NULL_FUNCTION,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call SNESSetTolerances(mechanical_snes,1.0_pReal,0.0_pReal,0.0_pReal,num%itmax,num%itmax,err_PETSc)
|
||||
call SNESSetTolerances(mechanical_snes,1.0_pREAL,0.0_pREAL,0.0_pREAL,num%itmax,num%itmax,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call SNESSetFromOptions(mechanical_snes,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
call VecSet(solution ,0.0_pReal,err_PETSc)
|
||||
call VecSet(solution ,0.0_pREAL,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecSet(solution_rate,0.0_pReal,err_PETSc)
|
||||
call VecSet(solution_rate,0.0_pREAL,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
allocate(x_scal(cellDof))
|
||||
allocate(nodalWeightsP(1))
|
||||
|
@ -289,7 +289,7 @@ subroutine FEM_mechanical_init(fieldBC)
|
|||
call DMPlexGetHeightStratum(mechanical_mesh,0_pPETSCINT,cellStart,cellEnd,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
do cell = cellStart, cellEnd-1 !< loop over all elements
|
||||
x_scal = 0.0_pReal
|
||||
x_scal = 0.0_pREAL
|
||||
call DMPlexComputeCellGeometryAffineFEM(mechanical_mesh,cell,pV0,pCellJ,pInvcellJ,detJ,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
cellJMat = reshape(pCellJ,shape=[dimPlex,dimPlex])
|
||||
|
@ -298,13 +298,13 @@ subroutine FEM_mechanical_init(fieldBC)
|
|||
CHKERRQ(err_PETSc)
|
||||
call PetscQuadratureGetData(functional,dimPlex,nc,nNodalPoints,nodalPointsP,nodalWeightsP,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
x_scal(basis+1:basis+dimPlex) = pV0 + matmul(transpose(cellJMat),nodalPointsP + 1.0_pReal)
|
||||
x_scal(basis+1:basis+dimPlex) = pV0 + matmul(transpose(cellJMat),nodalPointsP + 1.0_pREAL)
|
||||
end do
|
||||
px_scal => x_scal
|
||||
call DMPlexVecSetClosure(mechanical_mesh,section,solution_local,cell,px_scal,5,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
end do
|
||||
call utilities_constitutiveResponse(0.0_pReal,devNull,.true.)
|
||||
call utilities_constitutiveResponse(0.0_pREAL,devNull,.true.)
|
||||
|
||||
end subroutine FEM_mechanical_init
|
||||
|
||||
|
@ -317,7 +317,7 @@ type(tSolutionState) function FEM_mechanical_solution( &
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! input data for solution
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
timeinc, & !< increment in time for current solution
|
||||
timeinc_old !< increment in time of last increment
|
||||
type(tFieldBC), intent(in) :: &
|
||||
|
@ -369,8 +369,8 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
|
|||
PetscDS :: prob
|
||||
Vec :: x_local, f_local, xx_local
|
||||
PetscSection :: section
|
||||
real(pReal), dimension(:), pointer :: x_scal, pf_scal
|
||||
real(pReal), dimension(cellDof), target :: f_scal
|
||||
real(pREAL), dimension(:), pointer :: x_scal, pf_scal
|
||||
real(pREAL), dimension(cellDof), target :: f_scal
|
||||
PetscReal :: IcellJMat(dimPlex,dimPlex)
|
||||
PetscReal, dimension(:),pointer :: pV0, pCellJ, pInvcellJ, basisField, basisFieldDer
|
||||
PetscInt :: cellStart, cellEnd, cell, field, face, &
|
||||
|
@ -397,7 +397,7 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
|
|||
CHKERRQ(err_PETSc)
|
||||
call DMGetLocalVector(dm_local,x_local,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecWAXPY(x_local,1.0_pReal,xx_local,solution_local,err_PETSc)
|
||||
call VecWAXPY(x_local,1.0_pREAL,xx_local,solution_local,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
do field = 1_pPETSCINT, dimPlex; do face = 1_pPETSCINT, mesh_Nboundaries
|
||||
if (params%fieldBC%componentBC(field)%Mask(face)) then
|
||||
|
@ -406,7 +406,7 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
|
|||
call DMGetStratumIS(dm_local,'Face Sets',mesh_boundaries(face),bcPoints,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call utilities_projectBCValues(x_local,section,0_pPETSCINT,field-1,bcPoints, &
|
||||
0.0_pReal,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
|
||||
0.0_pREAL,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
|
||||
call ISDestroy(bcPoints,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
end if
|
||||
|
@ -426,7 +426,7 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
|
|||
IcellJMat = reshape(pInvcellJ,shape=[dimPlex,dimPlex])
|
||||
do qPt = 0_pPETSCINT, nQuadrature-1_pPETSCINT
|
||||
m = cell*nQuadrature + qPt+1_pPETSCINT
|
||||
BMat = 0.0_pReal
|
||||
BMat = 0.0_pREAL
|
||||
do basis = 0_pPETSCINT, nBasis-1_pPETSCINT
|
||||
do comp = 0_pPETSCINT, dimPlex-1_pPETSCINT
|
||||
cidx = basis*dimPlex+comp
|
||||
|
@ -438,11 +438,11 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
|
|||
homogenization_F(1:dimPlex,1:dimPlex,m) = reshape(matmul(BMat,x_scal),shape=[dimPlex,dimPlex], order=[2,1])
|
||||
end do
|
||||
if (num%BBarStabilisation) then
|
||||
detFAvg = math_det33(sum(homogenization_F(1:3,1:3,cell*nQuadrature+1:(cell+1)*nQuadrature),dim=3)/real(nQuadrature,pReal))
|
||||
detFAvg = math_det33(sum(homogenization_F(1:3,1:3,cell*nQuadrature+1:(cell+1)*nQuadrature),dim=3)/real(nQuadrature,pREAL))
|
||||
do qPt = 0, nQuadrature-1
|
||||
m = cell*nQuadrature + qPt+1
|
||||
homogenization_F(1:dimPlex,1:dimPlex,m) = homogenization_F(1:dimPlex,1:dimPlex,m) &
|
||||
* (detFAvg/math_det33(homogenization_F(1:3,1:3,m)))**(1.0_pReal/real(dimPlex,pReal))
|
||||
* (detFAvg/math_det33(homogenization_F(1:3,1:3,m)))**(1.0_pREAL/real(dimPlex,pREAL))
|
||||
|
||||
end do
|
||||
end if
|
||||
|
@ -465,10 +465,10 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
|
|||
call DMPlexComputeCellGeometryAffineFEM(dm_local,cell,pV0,pCellJ,pInvcellJ,detJ,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
IcellJMat = reshape(pInvcellJ,shape=[dimPlex,dimPlex])
|
||||
f_scal = 0.0_pReal
|
||||
f_scal = 0.0_pREAL
|
||||
do qPt = 0_pPETSCINT, nQuadrature-1_pPETSCINT
|
||||
m = cell*nQuadrature + qPt+1_pPETSCINT
|
||||
BMat = 0.0_pReal
|
||||
BMat = 0.0_pREAL
|
||||
do basis = 0_pPETSCINT, nBasis-1_pPETSCINT
|
||||
do comp = 0_pPETSCINT, dimPlex-1_pPETSCINT
|
||||
cidx = basis*dimPlex+comp
|
||||
|
@ -517,10 +517,10 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
|
|||
PetscReal, dimension(:), pointer :: basisField, basisFieldDer, &
|
||||
pV0, pCellJ, pInvcellJ
|
||||
|
||||
real(pReal), dimension(:), pointer :: pK_e, x_scal
|
||||
real(pREAL), dimension(:), pointer :: pK_e, x_scal
|
||||
|
||||
real(pReal),dimension(cellDOF,cellDOF), target :: K_e
|
||||
real(pReal),dimension(cellDOF,cellDOF) :: K_eA, K_eB
|
||||
real(pREAL),dimension(cellDOF,cellDOF), target :: K_e
|
||||
real(pREAL),dimension(cellDOF,cellDOF) :: K_eA, K_eB
|
||||
|
||||
PetscInt :: cellStart, cellEnd, cell, field, face, &
|
||||
qPt, basis, comp, cidx,bcSize, m, i
|
||||
|
@ -547,7 +547,7 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
|
|||
|
||||
call DMGetLocalVector(dm_local,x_local,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecWAXPY(x_local,1.0_pReal,xx_local,solution_local,err_PETSc)
|
||||
call VecWAXPY(x_local,1.0_pREAL,xx_local,solution_local,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
do field = 1, dimPlex; do face = 1, mesh_Nboundaries
|
||||
if (params%fieldBC%componentBC(field)%Mask(face)) then
|
||||
|
@ -556,7 +556,7 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
|
|||
call DMGetStratumIS(dm_local,'Face Sets',mesh_boundaries(face),bcPoints,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call utilities_projectBCValues(x_local,section,0_pPETSCINT,field-1,bcPoints, &
|
||||
0.0_pReal,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
|
||||
0.0_pREAL,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
|
||||
call ISDestroy(bcPoints,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
end if
|
||||
|
@ -569,14 +569,14 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
|
|||
CHKERRQ(err_PETSc)
|
||||
call DMPlexComputeCellGeometryAffineFEM(dm_local,cell,pV0,pCellJ,pInvcellJ,detJ,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
K_eA = 0.0_pReal
|
||||
K_eB = 0.0_pReal
|
||||
MatB = 0.0_pReal
|
||||
FAvg = 0.0_pReal
|
||||
BMatAvg = 0.0_pReal
|
||||
K_eA = 0.0_pREAL
|
||||
K_eB = 0.0_pREAL
|
||||
MatB = 0.0_pREAL
|
||||
FAvg = 0.0_pREAL
|
||||
BMatAvg = 0.0_pREAL
|
||||
do qPt = 0_pPETSCINT, nQuadrature-1_pPETSCINT
|
||||
m = cell*nQuadrature + qPt + 1_pPETSCINT
|
||||
BMat = 0.0_pReal
|
||||
BMat = 0.0_pREAL
|
||||
do basis = 0_pPETSCINT, nBasis-1_pPETSCINT
|
||||
do comp = 0_pPETSCINT, dimPlex-1_pPETSCINT
|
||||
cidx = basis*dimPlex+comp
|
||||
|
@ -591,7 +591,7 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
|
|||
if (num%BBarStabilisation) then
|
||||
F(1:dimPlex,1:dimPlex) = reshape(matmul(BMat,x_scal),shape=[dimPlex,dimPlex])
|
||||
FInv = math_inv33(F)
|
||||
K_eA = K_eA + matmul(transpose(BMat),MatA)*math_det33(FInv)**(1.0_pReal/real(dimPlex,pReal))
|
||||
K_eA = K_eA + matmul(transpose(BMat),MatA)*math_det33(FInv)**(1.0_pREAL/real(dimPlex,pREAL))
|
||||
K_eB = K_eB - &
|
||||
matmul(transpose(matmul(reshape(homogenization_F(1:dimPlex,1:dimPlex,m),shape=[dimPlex**2,1_pPETSCINT]), &
|
||||
matmul(reshape(FInv(1:dimPlex,1:dimPlex), &
|
||||
|
@ -606,10 +606,10 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
|
|||
end do
|
||||
if (num%BBarStabilisation) then
|
||||
FInv = math_inv33(FAvg)
|
||||
K_e = K_eA*math_det33(FAvg/real(nQuadrature,pReal))**(1.0_pReal/real(dimPlex,pReal)) + &
|
||||
K_e = K_eA*math_det33(FAvg/real(nQuadrature,pREAL))**(1.0_pREAL/real(dimPlex,pREAL)) + &
|
||||
(matmul(matmul(transpose(BMatAvg), &
|
||||
reshape(FInv(1:dimPlex,1:dimPlex),shape=[dimPlex**2,1_pPETSCINT],order=[2,1])),MatB) + &
|
||||
K_eB)/real(dimPlex,pReal)
|
||||
K_eB)/real(dimPlex,pREAL)
|
||||
else
|
||||
K_e = K_eA
|
||||
end if
|
||||
|
@ -662,7 +662,7 @@ subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,fieldBC)
|
|||
|
||||
type(tFieldBC), intent(in) :: &
|
||||
fieldBC
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
timeinc_old, &
|
||||
timeinc
|
||||
logical, intent(in) :: &
|
||||
|
@ -686,13 +686,13 @@ subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,fieldBC)
|
|||
CHKERRQ(err_PETSc)
|
||||
call DMGetLocalVector(dm_local,x_local,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecSet(x_local,0.0_pReal,err_PETSc)
|
||||
call VecSet(x_local,0.0_pREAL,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call DMGlobalToLocalBegin(dm_local,solution,INSERT_VALUES,x_local,err_PETSc) !< retrieve my partition of global solution vector
|
||||
CHKERRQ(err_PETSc)
|
||||
call DMGlobalToLocalEnd(dm_local,solution,INSERT_VALUES,x_local,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call VecAXPY(solution_local,1.0_pReal,x_local,err_PETSc)
|
||||
call VecAXPY(solution_local,1.0_pREAL,x_local,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
do field = 1, dimPlex; do face = 1, mesh_Nboundaries
|
||||
if (fieldBC%componentBC(field)%Mask(face)) then
|
||||
|
@ -701,7 +701,7 @@ subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,fieldBC)
|
|||
call DMGetStratumIS(dm_local,'Face Sets',mesh_boundaries(face),bcPoints,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call utilities_projectBCValues(solution_local,section,0_pPETSCINT,field-1,bcPoints, &
|
||||
0.0_pReal,fieldBC%componentBC(field)%Value(face),timeinc_old)
|
||||
0.0_pREAL,fieldBC%componentBC(field)%Value(face),timeinc_old)
|
||||
call ISDestroy(bcPoints,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
end if
|
||||
|
@ -746,7 +746,7 @@ subroutine FEM_mechanical_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reaso
|
|||
print'(/,1x,a,a,i0,a,f0.3)', trim(incInfo), &
|
||||
' @ Iteration ',PETScIter,' mechanical residual norm = ',fnorm/divTol
|
||||
print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
|
||||
'Piola--Kirchhoff stress / MPa =',transpose(P_av)*1.e-6_pReal
|
||||
'Piola--Kirchhoff stress / MPa =',transpose(P_av)*1.e-6_pREAL
|
||||
flush(IO_STDOUT)
|
||||
|
||||
end subroutine FEM_mechanical_converged
|
||||
|
@ -759,7 +759,7 @@ subroutine FEM_mechanical_updateCoords()
|
|||
|
||||
PetscReal, pointer, dimension(:,:) :: &
|
||||
nodeCoords !< nodal coordinates (3,Nnodes)
|
||||
real(pReal), pointer, dimension(:,:,:) :: &
|
||||
real(pREAL), pointer, dimension(:,:,:) :: &
|
||||
ipCoords !< ip coordinates (3,nQuadrature,mesh_NcpElems)
|
||||
|
||||
integer :: &
|
||||
|
@ -777,7 +777,7 @@ subroutine FEM_mechanical_updateCoords()
|
|||
PetscQuadrature :: mechQuad
|
||||
PetscReal, dimension(:), pointer :: basisField, basisFieldDer, &
|
||||
nodeCoords_linear !< nodal coordinates (dimPlex*Nnodes)
|
||||
real(pReal), dimension(:), pointer :: x_scal
|
||||
real(pREAL), dimension(:), pointer :: x_scal
|
||||
|
||||
call SNESGetDM(mechanical_snes,dm_local,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
@ -793,7 +793,7 @@ subroutine FEM_mechanical_updateCoords()
|
|||
! write cell vertex displacements
|
||||
call DMPlexGetDepthStratum(dm_local,0_pPETSCINT,pStart,pEnd,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
allocate(nodeCoords(3,pStart:pEnd-1),source=0.0_pReal)
|
||||
allocate(nodeCoords(3,pStart:pEnd-1),source=0.0_pREAL)
|
||||
call VecGetArrayF90(x_local,nodeCoords_linear,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
do p=pStart, pEnd-1
|
||||
|
@ -811,7 +811,7 @@ subroutine FEM_mechanical_updateCoords()
|
|||
CHKERRQ(err_PETSc)
|
||||
call PetscDSGetTabulation(mechQuad,0_pPETSCINT,basisField,basisFieldDer,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
allocate(ipCoords(3,nQuadrature,mesh_NcpElems),source=0.0_pReal)
|
||||
allocate(ipCoords(3,nQuadrature,mesh_NcpElems),source=0.0_pREAL)
|
||||
do c=cellStart,cellEnd-1_pPETSCINT
|
||||
qOffset=0
|
||||
call DMPlexVecGetClosure(dm_local,section,x_local,c,x_scal,err_PETSc) !< get nodal coordinates of each element
|
||||
|
|
20
src/misc.f90
20
src/misc.f90
|
@ -78,9 +78,9 @@ end function misc_optional_int
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function misc_optional_real(given,default) result(var)
|
||||
|
||||
real(pReal), intent(in), optional :: given
|
||||
real(pReal), intent(in) :: default
|
||||
real(pReal) :: var
|
||||
real(pREAL), intent(in), optional :: given
|
||||
real(pREAL), intent(in) :: default
|
||||
real(pREAL) :: var
|
||||
|
||||
|
||||
if (present(given)) then
|
||||
|
@ -116,7 +116,7 @@ end function misc_optional_str
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine misc_selfTest()
|
||||
|
||||
real(pReal) :: r
|
||||
real(pREAL) :: r
|
||||
|
||||
call random_number(r)
|
||||
if (test_str('DAMASK') /= 'DAMASK') error stop 'optional_str, present'
|
||||
|
@ -126,11 +126,11 @@ subroutine misc_selfTest()
|
|||
if (test_int() /= 42) error stop 'optional_int, not present'
|
||||
if (misc_optional(default=20191102) /= 20191102) error stop 'optional_int, default only'
|
||||
if (dNeq(test_real(r),r)) error stop 'optional_real, present'
|
||||
if (dNeq(test_real(),0.0_pReal)) error stop 'optional_real, not present'
|
||||
if (dNeq(test_real(),0.0_pREAL)) error stop 'optional_real, not present'
|
||||
if (dNeq(misc_optional(default=r),r)) error stop 'optional_real, default only'
|
||||
if (test_bool(r<0.5_pReal) .neqv. r<0.5_pReal) error stop 'optional_bool, present'
|
||||
if (test_bool(r<0.5_pREAL) .neqv. r<0.5_pREAL) error stop 'optional_bool, present'
|
||||
if (.not. test_bool()) error stop 'optional_bool, not present'
|
||||
if (misc_optional(default=r>0.5_pReal) .neqv. r>0.5_pReal) error stop 'optional_bool, default only'
|
||||
if (misc_optional(default=r>0.5_pREAL) .neqv. r>0.5_pREAL) error stop 'optional_bool, default only'
|
||||
|
||||
contains
|
||||
|
||||
|
@ -158,11 +158,11 @@ contains
|
|||
|
||||
function test_real(real_in) result(real_out)
|
||||
|
||||
real(pReal) :: real_out
|
||||
real(pReal), intent(in), optional :: real_in
|
||||
real(pREAL) :: real_out
|
||||
real(pREAL), intent(in), optional :: real_in
|
||||
|
||||
|
||||
real_out = misc_optional_real(real_in,0.0_pReal)
|
||||
real_out = misc_optional_real(real_in,0.0_pREAL)
|
||||
|
||||
end function test_real
|
||||
|
||||
|
|
|
@ -135,8 +135,8 @@ subroutine parallelization_init()
|
|||
call MPI_Type_size(MPI_DOUBLE,typeSize,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) &
|
||||
error stop 'Could not determine size of MPI_DOUBLE'
|
||||
if (typeSize*8_MPI_INTEGER_KIND /= int(storage_size(0.0_pReal),MPI_INTEGER_KIND)) &
|
||||
error stop 'Mismatch between MPI_DOUBLE and DAMASK pReal'
|
||||
if (typeSize*8_MPI_INTEGER_KIND /= int(storage_size(0.0_pREAL),MPI_INTEGER_KIND)) &
|
||||
error stop 'Mismatch between MPI_DOUBLE and DAMASK pREAL'
|
||||
|
||||
!$ call get_environment_variable(name='OMP_NUM_THREADS',value=NumThreadsString,STATUS=got_env)
|
||||
!$ if (got_env /= 0) then
|
||||
|
|
128
src/phase.f90
128
src/phase.f90
|
@ -29,15 +29,15 @@ module phase
|
|||
sizeDotState = 0, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates
|
||||
offsetDeltaState = 0, & !< index offset of delta state
|
||||
sizeDeltaState = 0 !< size of delta state, i.e. state(offset+1:offset+sizeDelta) follows time evolution by deltaState increments
|
||||
real(pReal), allocatable, dimension(:) :: &
|
||||
real(pREAL), allocatable, dimension(:) :: &
|
||||
atol
|
||||
! http://stackoverflow.com/questions/3948210
|
||||
real(pReal), pointer, dimension(:,:), contiguous :: & !< is basically an allocatable+target, but in a type needs to be pointer
|
||||
real(pREAL), pointer, dimension(:,:), contiguous :: & !< is basically an allocatable+target, but in a type needs to be pointer
|
||||
state0, &
|
||||
state, & !< state
|
||||
dotState, & !< rate of state change
|
||||
deltaState !< increment of state change
|
||||
real(pReal), pointer, dimension(:,:) :: &
|
||||
real(pREAL), pointer, dimension(:,:) :: &
|
||||
deltaState2
|
||||
end type
|
||||
|
||||
|
@ -51,8 +51,8 @@ module phase
|
|||
|
||||
|
||||
character(len=2), allocatable, dimension(:) :: phase_lattice
|
||||
real(pReal), allocatable, dimension(:) :: phase_cOverA
|
||||
real(pReal), allocatable, dimension(:) :: phase_rho
|
||||
real(pREAL), allocatable, dimension(:) :: phase_cOverA
|
||||
real(pREAL), allocatable, dimension(:) :: phase_rho
|
||||
|
||||
type(tRotationContainer), dimension(:), allocatable :: &
|
||||
phase_O_0, &
|
||||
|
@ -63,7 +63,7 @@ module phase
|
|||
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
|
||||
nState, & !< state loop limit
|
||||
nStress !< stress loop limit
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
|
||||
subStepSizeCryst, & !< size of first substep when cutback
|
||||
subStepSizeLp, & !< size of first substep when cutback in Lp calculation
|
||||
|
@ -133,11 +133,11 @@ module phase
|
|||
|
||||
|
||||
module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF)
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: &
|
||||
co, & !< counter in constituent loop
|
||||
ce
|
||||
real(pReal), dimension(3,3,3,3) :: dPdF
|
||||
real(pREAL), dimension(3,3,3,3) :: dPdF
|
||||
end function phase_mechanical_dPdF
|
||||
|
||||
module subroutine mechanical_restartWrite(groupHandle,ph)
|
||||
|
@ -172,105 +172,105 @@ module phase
|
|||
|
||||
module function mechanical_S(ph,en) result(S)
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(3,3) :: S
|
||||
real(pREAL), dimension(3,3) :: S
|
||||
end function mechanical_S
|
||||
|
||||
module function mechanical_L_p(ph,en) result(L_p)
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(3,3) :: L_p
|
||||
real(pREAL), dimension(3,3) :: L_p
|
||||
end function mechanical_L_p
|
||||
|
||||
module function mechanical_F_e(ph,en) result(F_e)
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(3,3) :: F_e
|
||||
real(pREAL), dimension(3,3) :: F_e
|
||||
end function mechanical_F_e
|
||||
|
||||
module function mechanical_F_i(ph,en) result(F_i)
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(3,3) :: F_i
|
||||
real(pREAL), dimension(3,3) :: F_i
|
||||
end function mechanical_F_i
|
||||
|
||||
module function phase_F(co,ce) result(F)
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal), dimension(3,3) :: F
|
||||
real(pREAL), dimension(3,3) :: F
|
||||
end function phase_F
|
||||
|
||||
module function phase_P(co,ce) result(P)
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal), dimension(3,3) :: P
|
||||
real(pREAL), dimension(3,3) :: P
|
||||
end function phase_P
|
||||
|
||||
pure module function thermal_T(ph,en) result(T)
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal) :: T
|
||||
real(pREAL) :: T
|
||||
end function thermal_T
|
||||
|
||||
module function thermal_dot_T(ph,en) result(dot_T)
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal) :: dot_T
|
||||
real(pREAL) :: dot_T
|
||||
end function thermal_dot_T
|
||||
|
||||
module function damage_phi(ph,en) result(phi)
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal) :: phi
|
||||
real(pREAL) :: phi
|
||||
end function damage_phi
|
||||
|
||||
|
||||
module subroutine phase_set_F(F,co,ce)
|
||||
real(pReal), dimension(3,3), intent(in) :: F
|
||||
real(pREAL), dimension(3,3), intent(in) :: F
|
||||
integer, intent(in) :: co, ce
|
||||
end subroutine phase_set_F
|
||||
|
||||
module subroutine phase_thermal_setField(T,dot_T, co,ce)
|
||||
real(pReal), intent(in) :: T, dot_T
|
||||
real(pREAL), intent(in) :: T, dot_T
|
||||
integer, intent(in) :: co, ce
|
||||
end subroutine phase_thermal_setField
|
||||
|
||||
module subroutine phase_set_phi(phi,co,ce)
|
||||
real(pReal), intent(in) :: phi
|
||||
real(pREAL), intent(in) :: phi
|
||||
integer, intent(in) :: co, ce
|
||||
end subroutine phase_set_phi
|
||||
|
||||
|
||||
module function phase_mu_phi(co,ce) result(mu)
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
end function phase_mu_phi
|
||||
|
||||
module function phase_K_phi(co,ce) result(K)
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal), dimension(3,3) :: K
|
||||
real(pREAL), dimension(3,3) :: K
|
||||
end function phase_K_phi
|
||||
|
||||
|
||||
module function phase_mu_T(co,ce) result(mu)
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
end function phase_mu_T
|
||||
|
||||
module function phase_K_T(co,ce) result(K)
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal), dimension(3,3) :: K
|
||||
real(pREAL), dimension(3,3) :: K
|
||||
end function phase_K_T
|
||||
|
||||
! == cleaned:end ===================================================================================
|
||||
|
||||
module function phase_thermal_constitutive(Delta_t,ph,en) result(converged_)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: ph, en
|
||||
logical :: converged_
|
||||
|
||||
end function phase_thermal_constitutive
|
||||
|
||||
module function phase_damage_constitutive(Delta_t,co,ce) result(converged_)
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: co, ce
|
||||
logical :: converged_
|
||||
end function phase_damage_constitutive
|
||||
|
||||
module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: co, ce
|
||||
logical :: converged_
|
||||
end function phase_mechanical_constitutive
|
||||
|
@ -278,25 +278,25 @@ module phase
|
|||
!ToDo: Merge all the stiffness functions
|
||||
module function phase_homogenizedC66(ph,en) result(C)
|
||||
integer, intent(in) :: ph, en
|
||||
real(pReal), dimension(6,6) :: C
|
||||
real(pREAL), dimension(6,6) :: C
|
||||
end function phase_homogenizedC66
|
||||
module function phase_damage_C66(C66,ph,en) result(C66_degraded)
|
||||
real(pReal), dimension(6,6), intent(in) :: C66
|
||||
real(pREAL), dimension(6,6), intent(in) :: C66
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(6,6) :: C66_degraded
|
||||
real(pREAL), dimension(6,6) :: C66_degraded
|
||||
end function phase_damage_C66
|
||||
|
||||
module function phase_f_phi(phi,co,ce) result(f)
|
||||
integer, intent(in) :: ce,co
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
phi !< damage parameter
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
f
|
||||
end function phase_f_phi
|
||||
|
||||
module function phase_f_T(ph,en) result(f)
|
||||
integer, intent(in) :: ph, en
|
||||
real(pReal) :: f
|
||||
real(pREAL) :: f
|
||||
end function phase_f_T
|
||||
|
||||
module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,ip,el)
|
||||
|
@ -316,11 +316,11 @@ module phase
|
|||
|
||||
module subroutine damage_anisobrittle_LiAndItsTangent(L_i, dL_i_dM_i, M_i, ph,en)
|
||||
integer, intent(in) :: ph, en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
M_i
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
L_i !< damage velocity gradient
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dL_i_dM_i !< derivative of L_i with respect to M_i
|
||||
end subroutine damage_anisobrittle_LiAndItsTangent
|
||||
|
||||
|
@ -389,7 +389,7 @@ subroutine phase_init
|
|||
|
||||
phases => config_material%get_dict('phase')
|
||||
allocate(phase_lattice(phases%length))
|
||||
allocate(phase_cOverA(phases%length),source=-1.0_pReal)
|
||||
allocate(phase_cOverA(phases%length),source=-1.0_pREAL)
|
||||
allocate(phase_rho(phases%length))
|
||||
allocate(phase_O_0(phases%length))
|
||||
|
||||
|
@ -403,7 +403,7 @@ subroutine phase_init
|
|||
call IO_error(130,ext_msg='phase_init: '//phase%get_asStr('lattice'))
|
||||
if (any(phase_lattice(ph) == ['hP','tI'])) &
|
||||
phase_cOverA(ph) = phase%get_asReal('c/a')
|
||||
phase_rho(ph) = phase%get_asReal('rho',defaultVal=0.0_pReal)
|
||||
phase_rho(ph) = phase%get_asReal('rho',defaultVal=0.0_pREAL)
|
||||
allocate(phase_O_0(ph)%data(count(material_ID_phase==ph)))
|
||||
end do
|
||||
|
||||
|
@ -454,13 +454,13 @@ subroutine phase_allocateState(state, &
|
|||
state%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition
|
||||
end if
|
||||
|
||||
allocate(state%atol (sizeState), source=0.0_pReal)
|
||||
allocate(state%state0 (sizeState,NEntries), source=0.0_pReal)
|
||||
allocate(state%state (sizeState,NEntries), source=0.0_pReal)
|
||||
allocate(state%atol (sizeState), source=0.0_pREAL)
|
||||
allocate(state%state0 (sizeState,NEntries), source=0.0_pREAL)
|
||||
allocate(state%state (sizeState,NEntries), source=0.0_pREAL)
|
||||
|
||||
allocate(state%dotState (sizeDotState,NEntries), source=0.0_pReal)
|
||||
allocate(state%dotState (sizeDotState,NEntries), source=0.0_pREAL)
|
||||
|
||||
allocate(state%deltaState (sizeDeltaState,NEntries), source=0.0_pReal)
|
||||
allocate(state%deltaState (sizeDeltaState,NEntries), source=0.0_pREAL)
|
||||
state%deltaState2 => state%state(state%offsetDeltaState+1: &
|
||||
state%offsetDeltaState+state%sizeDeltaState,:)
|
||||
|
||||
|
@ -538,27 +538,27 @@ subroutine crystallite_init()
|
|||
|
||||
num_crystallite => config_numerics%get_dict('crystallite',defaultVal=emptyDict)
|
||||
|
||||
num%subStepMinCryst = num_crystallite%get_asReal ('subStepMin', defaultVal=1.0e-3_pReal)
|
||||
num%subStepSizeCryst = num_crystallite%get_asReal ('subStepSize', defaultVal=0.25_pReal)
|
||||
num%stepIncreaseCryst = num_crystallite%get_asReal ('stepIncrease', defaultVal=1.5_pReal)
|
||||
num%subStepSizeLp = num_crystallite%get_asReal ('subStepSizeLp', defaultVal=0.5_pReal)
|
||||
num%subStepSizeLi = num_crystallite%get_asReal ('subStepSizeLi', defaultVal=0.5_pReal)
|
||||
num%rtol_crystalliteState = num_crystallite%get_asReal ('rtol_State', defaultVal=1.0e-6_pReal)
|
||||
num%rtol_crystalliteStress = num_crystallite%get_asReal ('rtol_Stress', defaultVal=1.0e-6_pReal)
|
||||
num%atol_crystalliteStress = num_crystallite%get_asReal ('atol_Stress', defaultVal=1.0e-8_pReal)
|
||||
num%subStepMinCryst = num_crystallite%get_asReal ('subStepMin', defaultVal=1.0e-3_pREAL)
|
||||
num%subStepSizeCryst = num_crystallite%get_asReal ('subStepSize', defaultVal=0.25_pREAL)
|
||||
num%stepIncreaseCryst = num_crystallite%get_asReal ('stepIncrease', defaultVal=1.5_pREAL)
|
||||
num%subStepSizeLp = num_crystallite%get_asReal ('subStepSizeLp', defaultVal=0.5_pREAL)
|
||||
num%subStepSizeLi = num_crystallite%get_asReal ('subStepSizeLi', defaultVal=0.5_pREAL)
|
||||
num%rtol_crystalliteState = num_crystallite%get_asReal ('rtol_State', defaultVal=1.0e-6_pREAL)
|
||||
num%rtol_crystalliteStress = num_crystallite%get_asReal ('rtol_Stress', defaultVal=1.0e-6_pREAL)
|
||||
num%atol_crystalliteStress = num_crystallite%get_asReal ('atol_Stress', defaultVal=1.0e-8_pREAL)
|
||||
num%iJacoLpresiduum = num_crystallite%get_asInt ('iJacoLpresiduum', defaultVal=1)
|
||||
num%nState = num_crystallite%get_asInt ('nState', defaultVal=20)
|
||||
num%nStress = num_crystallite%get_asInt ('nStress', defaultVal=40)
|
||||
|
||||
extmsg = ''
|
||||
if (num%subStepMinCryst <= 0.0_pReal) extmsg = trim(extmsg)//' subStepMinCryst'
|
||||
if (num%subStepSizeCryst <= 0.0_pReal) extmsg = trim(extmsg)//' subStepSizeCryst'
|
||||
if (num%stepIncreaseCryst <= 0.0_pReal) extmsg = trim(extmsg)//' stepIncreaseCryst'
|
||||
if (num%subStepSizeLp <= 0.0_pReal) extmsg = trim(extmsg)//' subStepSizeLp'
|
||||
if (num%subStepSizeLi <= 0.0_pReal) extmsg = trim(extmsg)//' subStepSizeLi'
|
||||
if (num%rtol_crystalliteState <= 0.0_pReal) extmsg = trim(extmsg)//' rtol_crystalliteState'
|
||||
if (num%rtol_crystalliteStress <= 0.0_pReal) extmsg = trim(extmsg)//' rtol_crystalliteStress'
|
||||
if (num%atol_crystalliteStress <= 0.0_pReal) extmsg = trim(extmsg)//' atol_crystalliteStress'
|
||||
if (num%subStepMinCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' subStepMinCryst'
|
||||
if (num%subStepSizeCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' subStepSizeCryst'
|
||||
if (num%stepIncreaseCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' stepIncreaseCryst'
|
||||
if (num%subStepSizeLp <= 0.0_pREAL) extmsg = trim(extmsg)//' subStepSizeLp'
|
||||
if (num%subStepSizeLi <= 0.0_pREAL) extmsg = trim(extmsg)//' subStepSizeLi'
|
||||
if (num%rtol_crystalliteState <= 0.0_pREAL) extmsg = trim(extmsg)//' rtol_crystalliteState'
|
||||
if (num%rtol_crystalliteStress <= 0.0_pREAL) extmsg = trim(extmsg)//' rtol_crystalliteStress'
|
||||
if (num%atol_crystalliteStress <= 0.0_pREAL) extmsg = trim(extmsg)//' atol_crystalliteStress'
|
||||
if (num%iJacoLpresiduum < 1) extmsg = trim(extmsg)//' iJacoLpresiduum'
|
||||
if (num%nState < 1) extmsg = trim(extmsg)//' nState'
|
||||
if (num%nStress < 1) extmsg = trim(extmsg)//' nStress'
|
||||
|
@ -615,13 +615,13 @@ end subroutine crystallite_orientations
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function crystallite_push33ToRef(co,ce, tensor33)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: tensor33
|
||||
real(pREAL), dimension(3,3), intent(in) :: tensor33
|
||||
integer, intent(in):: &
|
||||
co, &
|
||||
ce
|
||||
real(pReal), dimension(3,3) :: crystallite_push33ToRef
|
||||
real(pREAL), dimension(3,3) :: crystallite_push33ToRef
|
||||
|
||||
real(pReal), dimension(3,3) :: T
|
||||
real(pREAL), dimension(3,3) :: T
|
||||
integer :: ph, en
|
||||
|
||||
|
||||
|
@ -639,9 +639,9 @@ end function crystallite_push33ToRef
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
logical pure function converged(residuum,state,atol)
|
||||
|
||||
real(pReal), intent(in), dimension(:) ::&
|
||||
real(pREAL), intent(in), dimension(:) ::&
|
||||
residuum, state, atol
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
rTol
|
||||
|
||||
rTol = num%rTol_crystalliteState
|
||||
|
|
|
@ -4,9 +4,9 @@
|
|||
submodule(phase) damage
|
||||
|
||||
type :: tDamageParameters
|
||||
real(pReal) :: &
|
||||
mu = 0.0_pReal, & !< viscosity
|
||||
l_c = 0.0_pReal !< characteristic length
|
||||
real(pREAL) :: &
|
||||
mu = 0.0_pREAL, & !< viscosity
|
||||
l_c = 0.0_pREAL !< characteristic length
|
||||
end type tDamageParameters
|
||||
|
||||
enum, bind(c); enumerator :: &
|
||||
|
@ -19,7 +19,7 @@ submodule(phase) damage
|
|||
|
||||
|
||||
type :: tDataContainer
|
||||
real(pReal), dimension(:), allocatable :: phi
|
||||
real(pREAL), dimension(:), allocatable :: phi
|
||||
end type tDataContainer
|
||||
|
||||
integer(kind(DAMAGE_UNDEFINED_ID)), dimension(:), allocatable :: &
|
||||
|
@ -42,16 +42,16 @@ submodule(phase) damage
|
|||
|
||||
module subroutine isobrittle_deltaState(C, Fe, ph, en)
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
Fe
|
||||
real(pReal), intent(in), dimension(6,6) :: &
|
||||
real(pREAL), intent(in), dimension(6,6) :: &
|
||||
C
|
||||
end subroutine isobrittle_deltaState
|
||||
|
||||
|
||||
module subroutine anisobrittle_dotState(M_i, ph, en)
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
M_i
|
||||
end subroutine anisobrittle_dotState
|
||||
|
||||
|
@ -99,7 +99,7 @@ module subroutine damage_init()
|
|||
|
||||
Nmembers = count(material_ID_phase == ph)
|
||||
|
||||
allocate(current(ph)%phi(Nmembers),source=1.0_pReal)
|
||||
allocate(current(ph)%phi(Nmembers),source=1.0_pREAL)
|
||||
|
||||
phase => phases%get_dict(ph)
|
||||
source => phase%get_dict('damage',defaultVal=emptyDict)
|
||||
|
@ -131,7 +131,7 @@ end subroutine damage_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function phase_damage_constitutive(Delta_t,co,ce) result(converged_)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: &
|
||||
co, &
|
||||
ce
|
||||
|
@ -154,9 +154,9 @@ end function phase_damage_constitutive
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function phase_damage_C66(C66,ph,en) result(C66_degraded)
|
||||
|
||||
real(pReal), dimension(6,6), intent(in) :: C66
|
||||
real(pREAL), dimension(6,6), intent(in) :: C66
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(6,6) :: C66_degraded
|
||||
real(pREAL), dimension(6,6) :: C66_degraded
|
||||
|
||||
|
||||
damageType: select case (phase_damage(ph))
|
||||
|
@ -195,9 +195,9 @@ end subroutine damage_restore
|
|||
module function phase_f_phi(phi,co,ce) result(f)
|
||||
|
||||
integer, intent(in) :: ce,co
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
phi !< damage parameter
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
f
|
||||
|
||||
integer :: &
|
||||
|
@ -209,10 +209,10 @@ module function phase_f_phi(phi,co,ce) result(f)
|
|||
|
||||
select case(phase_damage(ph))
|
||||
case(DAMAGE_ISOBRITTLE_ID,DAMAGE_ANISOBRITTLE_ID)
|
||||
f = 1.0_pReal &
|
||||
f = 1.0_pREAL &
|
||||
- phi*damageState(ph)%state(1,en)
|
||||
case default
|
||||
f = 0.0_pReal
|
||||
f = 0.0_pREAL
|
||||
end select
|
||||
|
||||
end function phase_f_phi
|
||||
|
@ -224,7 +224,7 @@ end function phase_f_phi
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function integrateDamageState(Delta_t,ph,en) result(broken)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
@ -233,11 +233,11 @@ function integrateDamageState(Delta_t,ph,en) result(broken)
|
|||
integer :: &
|
||||
NiterationState, & !< number of iterations in state loop
|
||||
size_so
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
zeta
|
||||
real(pReal), dimension(phase_damage_maxSizeDotState) :: &
|
||||
real(pREAL), dimension(phase_damage_maxSizeDotState) :: &
|
||||
r ! state residuum
|
||||
real(pReal), dimension(phase_damage_maxSizeDotState,2) :: source_dotState
|
||||
real(pREAL), dimension(phase_damage_maxSizeDotState,2) :: source_dotState
|
||||
logical :: &
|
||||
converged_
|
||||
|
||||
|
@ -254,7 +254,7 @@ function integrateDamageState(Delta_t,ph,en) result(broken)
|
|||
size_so = damageState(ph)%sizeDotState
|
||||
damageState(ph)%state(1:size_so,en) = damageState(ph)%state0 (1:size_so,en) &
|
||||
+ damageState(ph)%dotState(1:size_so,en) * Delta_t
|
||||
source_dotState(1:size_so,2) = 0.0_pReal
|
||||
source_dotState(1:size_so,2) = 0.0_pREAL
|
||||
|
||||
iteration: do NiterationState = 1, num%nState
|
||||
|
||||
|
@ -267,7 +267,7 @@ function integrateDamageState(Delta_t,ph,en) result(broken)
|
|||
|
||||
zeta = damper(damageState(ph)%dotState(:,en),source_dotState(1:size_so,1),source_dotState(1:size_so,2))
|
||||
damageState(ph)%dotState(:,en) = damageState(ph)%dotState(:,en) * zeta &
|
||||
+ source_dotState(1:size_so,1)* (1.0_pReal - zeta)
|
||||
+ source_dotState(1:size_so,1)* (1.0_pREAL - zeta)
|
||||
r(1:size_so) = damageState(ph)%state (1:size_so,en) &
|
||||
- damageState(ph)%State0 (1:size_so,en) &
|
||||
- damageState(ph)%dotState(1:size_so,en) * Delta_t
|
||||
|
@ -291,20 +291,20 @@ function integrateDamageState(Delta_t,ph,en) result(broken)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Calculate the damping for correction of state and dot state.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function damper(omega_0,omega_1,omega_2)
|
||||
real(pREAL) pure function damper(omega_0,omega_1,omega_2)
|
||||
|
||||
real(pReal), dimension(:), intent(in) :: &
|
||||
real(pREAL), dimension(:), intent(in) :: &
|
||||
omega_0, omega_1, omega_2
|
||||
|
||||
real(pReal) :: dot_prod12, dot_prod22
|
||||
real(pREAL) :: dot_prod12, dot_prod22
|
||||
|
||||
dot_prod12 = dot_product(omega_0-omega_1, omega_1-omega_2)
|
||||
dot_prod22 = dot_product(omega_1-omega_2, omega_1-omega_2)
|
||||
|
||||
if (min(dot_product(omega_0,omega_1),dot_prod12) < 0.0_pReal .and. dot_prod22 > 0.0_pReal) then
|
||||
damper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
|
||||
if (min(dot_product(omega_0,omega_1),dot_prod12) < 0.0_pREAL .and. dot_prod22 > 0.0_pREAL) then
|
||||
damper = 0.75_pREAL + 0.25_pREAL * tanh(2.0_pREAL + 4.0_pREAL * dot_prod12 / dot_prod22)
|
||||
else
|
||||
damper = 1.0_pReal
|
||||
damper = 1.0_pREAL
|
||||
end if
|
||||
|
||||
end function damper
|
||||
|
@ -401,7 +401,7 @@ end function phase_damage_collectDotState
|
|||
module function phase_mu_phi(co,ce) result(mu)
|
||||
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
|
||||
|
||||
mu = param(material_ID_phase(co,ce))%mu
|
||||
|
@ -415,7 +415,7 @@ end function phase_mu_phi
|
|||
module function phase_K_phi(co,ce) result(K)
|
||||
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal), dimension(3,3) :: K
|
||||
real(pREAL), dimension(3,3) :: K
|
||||
|
||||
|
||||
K = crystallite_push33ToRef(co,ce,param(material_ID_phase(co,ce))%l_c**2*math_I3)
|
||||
|
@ -432,7 +432,7 @@ function phase_damage_deltaState(Fe, ph, en) result(broken)
|
|||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
Fe !< elastic deformation gradient
|
||||
|
||||
integer :: &
|
||||
|
@ -496,7 +496,7 @@ end function source_active
|
|||
!----------------------------------------------------------------------------------------------
|
||||
module subroutine phase_set_phi(phi,co,ce)
|
||||
|
||||
real(pReal), intent(in) :: phi
|
||||
real(pREAL), intent(in) :: phi
|
||||
integer, intent(in) :: ce, co
|
||||
|
||||
|
||||
|
@ -508,7 +508,7 @@ end subroutine phase_set_phi
|
|||
module function damage_phi(ph,en) result(phi)
|
||||
|
||||
integer, intent(in) :: ph, en
|
||||
real(pReal) :: phi
|
||||
real(pREAL) :: phi
|
||||
|
||||
|
||||
phi = current(ph)%phi(en)
|
||||
|
|
|
@ -7,13 +7,13 @@
|
|||
submodule (phase:damage) anisobrittle
|
||||
|
||||
type :: tParameters !< container type for internal constitutive parameters
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
dot_o_0, & !< opening rate of cleavage planes
|
||||
p !< damage rate sensitivity
|
||||
real(pReal), dimension(:), allocatable :: &
|
||||
real(pREAL), dimension(:), allocatable :: &
|
||||
s_crit, & !< critical displacement
|
||||
g_crit !< critical load
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:,:,:), allocatable :: &
|
||||
cleavage_systems
|
||||
integer :: &
|
||||
sum_N_cl !< total number of cleavage planes
|
||||
|
@ -90,15 +90,15 @@ module function anisobrittle_init() result(mySources)
|
|||
#endif
|
||||
|
||||
! sanity checks
|
||||
if (prm%p <= 0.0_pReal) extmsg = trim(extmsg)//' p'
|
||||
if (prm%dot_o_0 <= 0.0_pReal) extmsg = trim(extmsg)//' dot_o_0'
|
||||
if (any(prm%g_crit < 0.0_pReal)) extmsg = trim(extmsg)//' g_crit'
|
||||
if (any(prm%s_crit < 0.0_pReal)) extmsg = trim(extmsg)//' s_crit'
|
||||
if (prm%p <= 0.0_pREAL) extmsg = trim(extmsg)//' p'
|
||||
if (prm%dot_o_0 <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_o_0'
|
||||
if (any(prm%g_crit < 0.0_pREAL)) extmsg = trim(extmsg)//' g_crit'
|
||||
if (any(prm%s_crit < 0.0_pREAL)) extmsg = trim(extmsg)//' s_crit'
|
||||
|
||||
Nmembers = count(material_ID_phase==ph)
|
||||
call phase_allocateState(damageState(ph),Nmembers,1,1,0)
|
||||
damageState(ph)%atol = src%get_asReal('atol_phi',defaultVal=1.0e-9_pReal)
|
||||
if (any(damageState(ph)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' atol_phi'
|
||||
damageState(ph)%atol = src%get_asReal('atol_phi',defaultVal=1.0e-9_pREAL)
|
||||
if (any(damageState(ph)%atol < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_phi'
|
||||
|
||||
end associate
|
||||
|
||||
|
@ -117,17 +117,17 @@ module subroutine anisobrittle_dotState(M_i, ph,en)
|
|||
|
||||
integer, intent(in) :: &
|
||||
ph,en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
M_i
|
||||
|
||||
integer :: &
|
||||
a, i
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
traction, traction_crit
|
||||
|
||||
|
||||
associate(prm => param(ph))
|
||||
damageState(ph)%dotState(1,en) = 0.0_pReal
|
||||
damageState(ph)%dotState(1,en) = 0.0_pREAL
|
||||
do a = 1, prm%sum_N_cl
|
||||
traction_crit = damage_phi(ph,en)**2 * prm%g_crit(a)
|
||||
do i = 1,3
|
||||
|
@ -135,7 +135,7 @@ module subroutine anisobrittle_dotState(M_i, ph,en)
|
|||
|
||||
damageState(ph)%dotState(1,en) = damageState(ph)%dotState(1,en) &
|
||||
+ prm%dot_o_0 / prm%s_crit(a) &
|
||||
* (max(0.0_pReal, abs(traction) - traction_crit)/traction_crit)**prm%p
|
||||
* (max(0.0_pREAL, abs(traction) - traction_crit)/traction_crit)**prm%p
|
||||
end do
|
||||
end do
|
||||
end associate
|
||||
|
@ -173,22 +173,22 @@ module subroutine damage_anisobrittle_LiAndItsTangent(L_i, dL_i_dM_i, M_i, ph,en
|
|||
|
||||
integer, intent(in) :: &
|
||||
ph,en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
M_i
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
L_i !< damage velocity gradient
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dL_i_dM_i !< derivative of L_i with respect to M_i
|
||||
|
||||
integer :: &
|
||||
a, k, l, m, n, i
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
traction, traction_crit, &
|
||||
udot, dudot_dt
|
||||
|
||||
|
||||
L_i = 0.0_pReal
|
||||
dL_i_dM_i = 0.0_pReal
|
||||
L_i = 0.0_pREAL
|
||||
dL_i_dM_i = 0.0_pREAL
|
||||
associate(prm => param(ph))
|
||||
do a = 1,prm%sum_N_cl
|
||||
traction_crit = damage_phi(ph,en)**2 * prm%g_crit(a)
|
||||
|
@ -196,9 +196,9 @@ module subroutine damage_anisobrittle_LiAndItsTangent(L_i, dL_i_dM_i, M_i, ph,en
|
|||
do i = 1, 3
|
||||
traction = math_tensordot(M_i,prm%cleavage_systems(1:3,1:3,i,a))
|
||||
if (abs(traction) > traction_crit + tol_math_check) then
|
||||
udot = sign(1.0_pReal,traction)* prm%dot_o_0 * ((abs(traction) - traction_crit)/traction_crit)**prm%p
|
||||
udot = sign(1.0_pREAL,traction)* prm%dot_o_0 * ((abs(traction) - traction_crit)/traction_crit)**prm%p
|
||||
L_i = L_i + udot*prm%cleavage_systems(1:3,1:3,i,a)
|
||||
dudot_dt = sign(1.0_pReal,traction)*udot*prm%p / (abs(traction) - traction_crit)
|
||||
dudot_dt = sign(1.0_pREAL,traction)*udot*prm%p / (abs(traction) - traction_crit)
|
||||
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
||||
dL_i_dM_i(k,l,m,n) = dL_i_dM_i(k,l,m,n) &
|
||||
+ dudot_dt*prm%cleavage_systems(k,l,i,a) * prm%cleavage_systems(m,n,i,a)
|
||||
|
|
|
@ -7,14 +7,14 @@
|
|||
submodule(phase:damage) isobrittle
|
||||
|
||||
type :: tParameters !< container type for internal constitutive parameters
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
W_crit !< critical elastic strain energy
|
||||
character(len=pSTRLEN), allocatable, dimension(:) :: &
|
||||
output
|
||||
end type tParameters
|
||||
|
||||
type :: tIsobrittleState
|
||||
real(pReal), pointer, dimension(:) :: & !< vectors along Nmembers
|
||||
real(pREAL), pointer, dimension(:) :: & !< vectors along Nmembers
|
||||
r_W !< ratio between actual and critical strain energy density
|
||||
end type tIsobrittleState
|
||||
|
||||
|
@ -77,12 +77,12 @@ module function isobrittle_init() result(mySources)
|
|||
#endif
|
||||
|
||||
! sanity checks
|
||||
if (prm%W_crit <= 0.0_pReal) extmsg = trim(extmsg)//' W_crit'
|
||||
if (prm%W_crit <= 0.0_pREAL) extmsg = trim(extmsg)//' W_crit'
|
||||
|
||||
Nmembers = count(material_ID_phase==ph)
|
||||
call phase_allocateState(damageState(ph),Nmembers,1,0,1)
|
||||
damageState(ph)%atol = src%get_asReal('atol_phi',defaultVal=1.0e-9_pReal)
|
||||
if (any(damageState(ph)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' atol_phi'
|
||||
damageState(ph)%atol = src%get_asReal('atol_phi',defaultVal=1.0e-9_pREAL)
|
||||
if (any(damageState(ph)%atol < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_phi'
|
||||
|
||||
stt%r_W => damageState(ph)%state(1,:)
|
||||
dlt%r_W => damageState(ph)%deltaState(1,:)
|
||||
|
@ -105,23 +105,23 @@ end function isobrittle_init
|
|||
module subroutine isobrittle_deltaState(C, Fe, ph,en)
|
||||
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
Fe
|
||||
real(pReal), intent(in), dimension(6,6) :: &
|
||||
real(pREAL), intent(in), dimension(6,6) :: &
|
||||
C
|
||||
|
||||
real(pReal), dimension(6) :: &
|
||||
real(pREAL), dimension(6) :: &
|
||||
epsilon
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
r_W
|
||||
|
||||
|
||||
epsilon = math_33toVoigt6_strain(0.5_pReal*(matmul(transpose(Fe),Fe)-math_I3))
|
||||
epsilon = math_33toVoigt6_strain(0.5_pREAL*(matmul(transpose(Fe),Fe)-math_I3))
|
||||
|
||||
associate(prm => param(ph), stt => state(ph), dlt => deltaState(ph))
|
||||
|
||||
r_W = (0.5_pReal*dot_product(epsilon,matmul(C,epsilon)))/prm%W_crit
|
||||
dlt%r_W(en) = merge(r_W - stt%r_W(en), 0.0_pReal, r_W > stt%r_W(en))
|
||||
r_W = (0.5_pREAL*dot_product(epsilon,matmul(C,epsilon)))/prm%W_crit
|
||||
dlt%r_W(en) = merge(r_W - stt%r_W(en), 0.0_pREAL, r_W > stt%r_W(en))
|
||||
|
||||
end associate
|
||||
|
||||
|
|
|
@ -57,22 +57,22 @@ submodule(phase) mechanical
|
|||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
Fe, & !< elastic deformation gradient
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
S !< 2nd Piola-Kirchhoff stress tensor in lattice configuration
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dS_dFe, & !< derivative of 2nd P-K stress with respect to elastic deformation gradient
|
||||
dS_dFi !< derivative of 2nd P-K stress with respect to intermediate deformation gradient
|
||||
end subroutine phase_hooke_SandItsTangents
|
||||
|
||||
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,en)
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Li !< inleastic velocity gradient
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLi_dMi !< derivative of Li with respect to Mandel stress
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mi !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -83,9 +83,9 @@ submodule(phase) mechanical
|
|||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
subdt !< timestep
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
end function plastic_dotState
|
||||
|
||||
|
@ -101,13 +101,13 @@ submodule(phase) mechanical
|
|||
S, Fi, ph,en)
|
||||
integer, intent(in) :: &
|
||||
ph,en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
S !< 2nd Piola-Kirchhoff stress
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
Li !< intermediate velocity gradient
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dLi_dS, & !< derivative of Li with respect to S
|
||||
dLi_dFi
|
||||
|
||||
|
@ -118,12 +118,12 @@ submodule(phase) mechanical
|
|||
S, Fi, ph,en)
|
||||
integer, intent(in) :: &
|
||||
ph,en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
S, & !< 2nd Piola-Kirchhoff stress
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
Lp !< plastic velocity gradient
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dLp_dS, &
|
||||
dLp_dFi !< derivative of Lp with respect to Fi
|
||||
end subroutine plastic_LpAndItsTangents
|
||||
|
@ -160,23 +160,23 @@ submodule(phase) mechanical
|
|||
end subroutine plastic_nonlocal_result
|
||||
|
||||
module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
|
||||
real(pReal), dimension(6,6) :: homogenizedC
|
||||
real(pREAL), dimension(6,6) :: homogenizedC
|
||||
integer, intent(in) :: ph,en
|
||||
end function plastic_dislotwin_homogenizedC
|
||||
|
||||
pure module function elastic_C66(ph,en) result(C66)
|
||||
real(pReal), dimension(6,6) :: C66
|
||||
real(pREAL), dimension(6,6) :: C66
|
||||
integer, intent(in) :: ph, en
|
||||
end function elastic_C66
|
||||
|
||||
pure module function elastic_mu(ph,en,isotropic_bound) result(mu)
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
integer, intent(in) :: ph, en
|
||||
character(len=*), intent(in) :: isotropic_bound
|
||||
end function elastic_mu
|
||||
|
||||
pure module function elastic_nu(ph,en,isotropic_bound) result(nu)
|
||||
real(pReal) :: nu
|
||||
real(pREAL) :: nu
|
||||
integer, intent(in) :: ph, en
|
||||
character(len=*), intent(in) :: isotropic_bound
|
||||
end function elastic_nu
|
||||
|
@ -243,13 +243,13 @@ module subroutine mechanical_init(phases)
|
|||
allocate(phase_mechanical_Fi(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Fp(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_F(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Li(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_Li0(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_Lp(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_Lp0(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_S(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_P(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_S0(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_Li(ph)%data(3,3,Nmembers),source=0.0_pREAL)
|
||||
allocate(phase_mechanical_Li0(ph)%data(3,3,Nmembers),source=0.0_pREAL)
|
||||
allocate(phase_mechanical_Lp(ph)%data(3,3,Nmembers),source=0.0_pREAL)
|
||||
allocate(phase_mechanical_Lp0(ph)%data(3,3,Nmembers),source=0.0_pREAL)
|
||||
allocate(phase_mechanical_S(ph)%data(3,3,Nmembers),source=0.0_pREAL)
|
||||
allocate(phase_mechanical_P(ph)%data(3,3,Nmembers),source=0.0_pREAL)
|
||||
allocate(phase_mechanical_S0(ph)%data(3,3,Nmembers),source=0.0_pREAL)
|
||||
|
||||
phase => phases%get_dict(ph)
|
||||
mech => phase%get_dict('mechanical')
|
||||
|
@ -359,11 +359,11 @@ end subroutine mechanical_result
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: F,subFp0,subFi0
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), dimension(3,3), intent(in) :: F,subFp0,subFi0
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: ph, en
|
||||
|
||||
real(pReal), dimension(3,3):: Fp_new, & ! plastic deformation gradient at end of timestep
|
||||
real(pREAL), dimension(3,3):: Fp_new, & ! plastic deformation gradient at end of timestep
|
||||
invFp_new, & ! inverse of Fp_new
|
||||
invFp_current, & ! inverse of Fp_current
|
||||
Lpguess, & ! current guess for plastic velocity gradient
|
||||
|
@ -386,11 +386,11 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
|
|||
A, &
|
||||
B, &
|
||||
temp_33
|
||||
real(pReal), dimension(9) :: temp_9 ! needed for matrix inversion by LAPACK
|
||||
real(pREAL), dimension(9) :: temp_9 ! needed for matrix inversion by LAPACK
|
||||
integer, dimension(9) :: devNull_9 ! needed for matrix inversion by LAPACK
|
||||
real(pReal), dimension(9,9) :: dRLp_dLp, & ! partial derivative of residuum (Jacobian for Newton-Raphson scheme)
|
||||
real(pREAL), dimension(9,9) :: dRLp_dLp, & ! partial derivative of residuum (Jacobian for Newton-Raphson scheme)
|
||||
dRLi_dLi ! partial derivative of residuumI (Jacobian for Newton-Raphson scheme)
|
||||
real(pReal), dimension(3,3,3,3):: dS_dFe, & ! partial derivative of 2nd Piola-Kirchhoff stress
|
||||
real(pREAL), dimension(3,3,3,3):: dS_dFe, & ! partial derivative of 2nd Piola-Kirchhoff stress
|
||||
dS_dFi, &
|
||||
dFe_dLp, & ! partial derivative of elastic deformation gradient
|
||||
dFe_dLi, &
|
||||
|
@ -399,7 +399,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
|
|||
dLi_dFi, &
|
||||
dLp_dS, &
|
||||
dLi_dS
|
||||
real(pReal) steplengthLp, &
|
||||
real(pREAL) steplengthLp, &
|
||||
steplengthLi, &
|
||||
atol_Lp, &
|
||||
atol_Li
|
||||
|
@ -427,8 +427,8 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
|
|||
A = matmul(F,invFp_current) ! intermediate tensor needed later to calculate dFe_dLp
|
||||
|
||||
jacoCounterLi = 0
|
||||
steplengthLi = 1.0_pReal
|
||||
residuumLi_old = 0.0_pReal
|
||||
steplengthLi = 1.0_pREAL
|
||||
residuumLi_old = 0.0_pREAL
|
||||
Liguess_old = Liguess
|
||||
|
||||
NiterationStressLi = 0
|
||||
|
@ -440,8 +440,8 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
|
|||
Fi_new = math_inv33(invFi_new)
|
||||
|
||||
jacoCounterLp = 0
|
||||
steplengthLp = 1.0_pReal
|
||||
residuumLp_old = 0.0_pReal
|
||||
steplengthLp = 1.0_pREAL
|
||||
residuumLp_old = 0.0_pREAL
|
||||
Lpguess_old = Lpguess
|
||||
|
||||
NiterationStressLp = 0
|
||||
|
@ -469,7 +469,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
|
|||
elseif (NiterationStressLp == 1 .or. norm2(residuumLp) < norm2(residuumLp_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
|
||||
residuumLp_old = residuumLp ! ...remember old values and...
|
||||
Lpguess_old = Lpguess
|
||||
steplengthLp = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
|
||||
steplengthLp = 1.0_pREAL ! ...proceed with normal step length (calculate new search direction)
|
||||
else ! not converged and residuum not improved...
|
||||
steplengthLp = num%subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction
|
||||
Lpguess = Lpguess_old &
|
||||
|
@ -509,7 +509,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
|
|||
elseif (NiterationStressLi == 1 .or. norm2(residuumLi) < norm2(residuumLi_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
|
||||
residuumLi_old = residuumLi ! ...remember old values and...
|
||||
Liguess_old = Liguess
|
||||
steplengthLi = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
|
||||
steplengthLi = 1.0_pREAL ! ...proceed with normal step length (calculate new search direction)
|
||||
else ! not converged and residuum not improved...
|
||||
steplengthLi = num%subStepSizeLi * steplengthLi ! ...try with smaller step length in same direction
|
||||
Liguess = Liguess_old &
|
||||
|
@ -550,7 +550,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
|
|||
phase_mechanical_S(ph)%data(1:3,1:3,en) = S
|
||||
phase_mechanical_Lp(ph)%data(1:3,1:3,en) = Lpguess
|
||||
phase_mechanical_Li(ph)%data(1:3,1:3,en) = Liguess
|
||||
phase_mechanical_Fp(ph)%data(1:3,1:3,en) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize
|
||||
phase_mechanical_Fp(ph)%data(1:3,1:3,en) = Fp_new / math_det33(Fp_new)**(1.0_pREAL/3.0_pREAL) ! regularize
|
||||
phase_mechanical_Fi(ph)%data(1:3,1:3,en) = Fi_new
|
||||
phase_mechanical_Fe(ph)%data(1:3,1:3,en) = matmul(matmul(F,invFp_new),invFi_new)
|
||||
broken = .false.
|
||||
|
@ -564,9 +564,9 @@ end function integrateStress
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
|
||||
|
||||
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pReal), intent(in),dimension(:) :: subState0
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pREAL), intent(in),dimension(:) :: subState0
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
@ -576,12 +576,12 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(b
|
|||
integer :: &
|
||||
NiterationState, & !< number of iterations in state loop
|
||||
sizeDotState
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
zeta
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
r, & ! state residuum
|
||||
dotState
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState,2) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState,2) :: &
|
||||
dotState_last
|
||||
|
||||
|
||||
|
@ -595,7 +595,7 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(b
|
|||
|
||||
iteration: do NiterationState = 1, num%nState
|
||||
|
||||
dotState_last(1:sizeDotState,2) = merge(dotState_last(1:sizeDotState,1),0.0_pReal, nIterationState > 1)
|
||||
dotState_last(1:sizeDotState,2) = merge(dotState_last(1:sizeDotState,1),0.0_pREAL, nIterationState > 1)
|
||||
dotState_last(1:sizeDotState,1) = dotState
|
||||
|
||||
broken = integrateStress(F,subFp0,subFi0,Delta_t,ph,en)
|
||||
|
@ -606,7 +606,7 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(b
|
|||
|
||||
zeta = damper(dotState,dotState_last(1:sizeDotState,1),dotState_last(1:sizeDotState,2))
|
||||
dotState = dotState * zeta &
|
||||
+ dotState_last(1:sizeDotState,1) * (1.0_pReal - zeta)
|
||||
+ dotState_last(1:sizeDotState,1) * (1.0_pREAL - zeta)
|
||||
r = plasticState(ph)%state(1:sizeDotState,en) &
|
||||
- subState0 &
|
||||
- dotState * Delta_t
|
||||
|
@ -625,21 +625,21 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(b
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculate the damping for correction of state and dot state
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function damper(omega_0,omega_1,omega_2)
|
||||
real(pREAL) pure function damper(omega_0,omega_1,omega_2)
|
||||
|
||||
real(pReal), dimension(:), intent(in) :: &
|
||||
real(pREAL), dimension(:), intent(in) :: &
|
||||
omega_0, omega_1, omega_2
|
||||
|
||||
real(pReal) :: dot_prod12, dot_prod22
|
||||
real(pREAL) :: dot_prod12, dot_prod22
|
||||
|
||||
|
||||
dot_prod12 = dot_product(omega_0-omega_1, omega_1-omega_2)
|
||||
dot_prod22 = dot_product(omega_1-omega_2, omega_1-omega_2)
|
||||
|
||||
if (min(dot_product(omega_0,omega_1),dot_prod12) < 0.0_pReal .and. dot_prod22 > 0.0_pReal) then
|
||||
damper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
|
||||
if (min(dot_product(omega_0,omega_1),dot_prod12) < 0.0_pREAL .and. dot_prod22 > 0.0_pREAL) then
|
||||
damper = 0.75_pREAL + 0.25_pREAL * tanh(2.0_pREAL + 4.0_pREAL * dot_prod12 / dot_prod22)
|
||||
else
|
||||
damper = 1.0_pReal
|
||||
damper = 1.0_pREAL
|
||||
end if
|
||||
|
||||
end function damper
|
||||
|
@ -652,16 +652,16 @@ end function integrateStateFPI
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function integrateStateEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
|
||||
|
||||
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pReal), intent(in),dimension(:) :: subState0
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pREAL), intent(in),dimension(:) :: subState0
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en !< grain index in grain loop
|
||||
logical :: &
|
||||
broken
|
||||
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
integer :: &
|
||||
sizeDotState
|
||||
|
@ -692,9 +692,9 @@ end function integrateStateEuler
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
|
||||
|
||||
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pReal), intent(in),dimension(:) :: subState0
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pREAL), intent(in),dimension(:) :: subState0
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
@ -703,7 +703,7 @@ function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en
|
|||
|
||||
integer :: &
|
||||
sizeDotState
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
r, &
|
||||
dotState
|
||||
|
||||
|
@ -715,7 +715,7 @@ function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en
|
|||
|
||||
sizeDotState = plasticState(ph)%sizeDotState
|
||||
|
||||
r = - dotState * 0.5_pReal * Delta_t
|
||||
r = - dotState * 0.5_pREAL * Delta_t
|
||||
#ifndef __INTEL_LLVM_COMPILER
|
||||
plasticState(ph)%state(1:sizeDotState,en) = subState0 + dotState*Delta_t
|
||||
#else
|
||||
|
@ -731,7 +731,7 @@ function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en
|
|||
dotState = plastic_dotState(Delta_t,ph,en)
|
||||
if (any(IEEE_is_NaN(dotState))) return
|
||||
|
||||
broken = .not. converged(r + 0.5_pReal * dotState * Delta_t, &
|
||||
broken = .not. converged(r + 0.5_pREAL * dotState * Delta_t, &
|
||||
plasticState(ph)%state(1:sizeDotState,en), &
|
||||
plasticState(ph)%atol(1:sizeDotState))
|
||||
|
||||
|
@ -743,22 +743,22 @@ end function integrateStateAdaptiveEuler
|
|||
!---------------------------------------------------------------------------------------------------
|
||||
function integrateStateRK4(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
|
||||
|
||||
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pReal), intent(in),dimension(:) :: subState0
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pREAL), intent(in),dimension(:) :: subState0
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: ph, en
|
||||
logical :: broken
|
||||
|
||||
real(pReal), dimension(3,3), parameter :: &
|
||||
real(pREAL), dimension(3,3), parameter :: &
|
||||
A = reshape([&
|
||||
0.5_pReal, 0.0_pReal, 0.0_pReal, &
|
||||
0.0_pReal, 0.5_pReal, 0.0_pReal, &
|
||||
0.0_pReal, 0.0_pReal, 1.0_pReal],&
|
||||
0.5_pREAL, 0.0_pREAL, 0.0_pREAL, &
|
||||
0.0_pREAL, 0.5_pREAL, 0.0_pREAL, &
|
||||
0.0_pREAL, 0.0_pREAL, 1.0_pREAL],&
|
||||
shape(A))
|
||||
real(pReal), dimension(3), parameter :: &
|
||||
C = [0.5_pReal, 0.5_pReal, 1.0_pReal]
|
||||
real(pReal), dimension(4), parameter :: &
|
||||
B = [6.0_pReal, 3.0_pReal, 3.0_pReal, 6.0_pReal]**(-1)
|
||||
real(pREAL), dimension(3), parameter :: &
|
||||
C = [0.5_pREAL, 0.5_pREAL, 1.0_pREAL]
|
||||
real(pREAL), dimension(4), parameter :: &
|
||||
B = [6.0_pREAL, 3.0_pREAL, 3.0_pREAL, 6.0_pREAL]**(-1)
|
||||
|
||||
|
||||
broken = integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en,A,B,C)
|
||||
|
@ -771,29 +771,29 @@ end function integrateStateRK4
|
|||
!---------------------------------------------------------------------------------------------------
|
||||
function integrateStateRKCK45(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
|
||||
|
||||
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pReal), intent(in),dimension(:) :: subState0
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pREAL), intent(in),dimension(:) :: subState0
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: ph, en
|
||||
logical :: broken
|
||||
|
||||
real(pReal), dimension(5,5), parameter :: &
|
||||
real(pREAL), dimension(5,5), parameter :: &
|
||||
A = reshape([&
|
||||
1._pReal/5._pReal, .0_pReal, .0_pReal, .0_pReal, .0_pReal, &
|
||||
3._pReal/40._pReal, 9._pReal/40._pReal, .0_pReal, .0_pReal, .0_pReal, &
|
||||
3_pReal/10._pReal, -9._pReal/10._pReal, 6._pReal/5._pReal, .0_pReal, .0_pReal, &
|
||||
-11._pReal/54._pReal, 5._pReal/2._pReal, -70.0_pReal/27.0_pReal, 35.0_pReal/27.0_pReal, .0_pReal, &
|
||||
1631._pReal/55296._pReal,175._pReal/512._pReal,575._pReal/13824._pReal,44275._pReal/110592._pReal,253._pReal/4096._pReal],&
|
||||
1._pREAL/5._pREAL, .0_pREAL, .0_pREAL, .0_pREAL, .0_pREAL, &
|
||||
3._pREAL/40._pREAL, 9._pREAL/40._pREAL, .0_pREAL, .0_pREAL, .0_pREAL, &
|
||||
3_pREAL/10._pREAL, -9._pREAL/10._pREAL, 6._pREAL/5._pREAL, .0_pREAL, .0_pREAL, &
|
||||
-11._pREAL/54._pREAL, 5._pREAL/2._pREAL, -70.0_pREAL/27.0_pREAL, 35.0_pREAL/27.0_pREAL, .0_pREAL, &
|
||||
1631._pREAL/55296._pREAL,175._pREAL/512._pREAL,575._pREAL/13824._pREAL,44275._pREAL/110592._pREAL,253._pREAL/4096._pREAL],&
|
||||
shape(A))
|
||||
real(pReal), dimension(5), parameter :: &
|
||||
C = [0.2_pReal, 0.3_pReal, 0.6_pReal, 1.0_pReal, 0.875_pReal]
|
||||
real(pReal), dimension(6), parameter :: &
|
||||
real(pREAL), dimension(5), parameter :: &
|
||||
C = [0.2_pREAL, 0.3_pREAL, 0.6_pREAL, 1.0_pREAL, 0.875_pREAL]
|
||||
real(pREAL), dimension(6), parameter :: &
|
||||
B = &
|
||||
[37.0_pReal/378.0_pReal, .0_pReal, 250.0_pReal/621.0_pReal, &
|
||||
125.0_pReal/594.0_pReal, .0_pReal, 512.0_pReal/1771.0_pReal], &
|
||||
[37.0_pREAL/378.0_pREAL, .0_pREAL, 250.0_pREAL/621.0_pREAL, &
|
||||
125.0_pREAL/594.0_pREAL, .0_pREAL, 512.0_pREAL/1771.0_pREAL], &
|
||||
DB = B - &
|
||||
[2825.0_pReal/27648.0_pReal, .0_pReal, 18575.0_pReal/48384.0_pReal,&
|
||||
13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 1._pReal/4._pReal]
|
||||
[2825.0_pREAL/27648.0_pREAL, .0_pREAL, 18575.0_pREAL/48384.0_pREAL,&
|
||||
13525.0_pREAL/55296.0_pREAL, 277.0_pREAL/14336.0_pREAL, 1._pREAL/4._pREAL]
|
||||
|
||||
|
||||
broken = integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en,A,B,C,DB)
|
||||
|
@ -807,12 +807,12 @@ end function integrateStateRKCK45
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en,A,B,C,DB) result(broken)
|
||||
|
||||
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pReal), intent(in),dimension(:) :: subState0
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pReal), dimension(:,:), intent(in) :: A
|
||||
real(pReal), dimension(:), intent(in) :: B, C
|
||||
real(pReal), dimension(:), intent(in), optional :: DB
|
||||
real(pREAL), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
|
||||
real(pREAL), intent(in),dimension(:) :: subState0
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
real(pREAL), dimension(:,:), intent(in) :: A
|
||||
real(pREAL), dimension(:), intent(in) :: B, C
|
||||
real(pREAL), dimension(:), intent(in), optional :: DB
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
@ -822,9 +822,9 @@ function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en,A,B,C,DB)
|
|||
stage, & ! stage index in integration stage loop
|
||||
n, &
|
||||
sizeDotState
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState,size(B)) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState,size(B)) :: &
|
||||
plastic_RKdotState
|
||||
|
||||
|
||||
|
@ -945,7 +945,7 @@ subroutine results(group,ph)
|
|||
function to_quaternion(dataset)
|
||||
|
||||
type(tRotation), dimension(:), intent(in) :: dataset
|
||||
real(pReal), dimension(4,size(dataset,1)) :: to_quaternion
|
||||
real(pREAL), dimension(4,size(dataset,1)) :: to_quaternion
|
||||
|
||||
integer :: i
|
||||
|
||||
|
@ -986,26 +986,26 @@ end subroutine mechanical_forward
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: &
|
||||
co, &
|
||||
ce
|
||||
logical :: converged_
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
formerSubStep
|
||||
integer :: &
|
||||
ph, en, sizeDotState
|
||||
logical :: todo
|
||||
real(pReal) :: subFrac,subStep
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL) :: subFrac,subStep
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
subFp0, &
|
||||
subFi0, &
|
||||
subLp0, &
|
||||
subLi0, &
|
||||
subF0, &
|
||||
subF
|
||||
real(pReal), dimension(plasticState(material_ID_phase(co,ce))%sizeState) :: subState0
|
||||
real(pREAL), dimension(plasticState(material_ID_phase(co,ce))%sizeState) :: subState0
|
||||
|
||||
|
||||
ph = material_ID_phase(co,ce)
|
||||
|
@ -1017,9 +1017,9 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
|
|||
subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,en)
|
||||
subFi0 = phase_mechanical_Fi0(ph)%data(1:3,1:3,en)
|
||||
subF0 = phase_mechanical_F0(ph)%data(1:3,1:3,en)
|
||||
subFrac = 0.0_pReal
|
||||
subFrac = 0.0_pREAL
|
||||
todo = .true.
|
||||
subStep = 1.0_pReal/num%subStepSizeCryst
|
||||
subStep = 1.0_pREAL/num%subStepSizeCryst
|
||||
converged_ = .false. ! pretend failed step of 1/subStepSizeCryst
|
||||
|
||||
todo = .true.
|
||||
|
@ -1028,9 +1028,9 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
|
|||
if (converged_) then
|
||||
formerSubStep = subStep
|
||||
subFrac = subFrac + subStep
|
||||
subStep = min(1.0_pReal - subFrac, num%stepIncreaseCryst * subStep)
|
||||
subStep = min(1.0_pREAL - subFrac, num%stepIncreaseCryst * subStep)
|
||||
|
||||
todo = subStep > 0.0_pReal ! still time left to integrate on?
|
||||
todo = subStep > 0.0_pREAL ! still time left to integrate on?
|
||||
|
||||
if (todo) then
|
||||
subF0 = subF
|
||||
|
@ -1047,7 +1047,7 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
|
|||
phase_mechanical_Fp(ph)%data(1:3,1:3,en) = subFp0
|
||||
phase_mechanical_Fi(ph)%data(1:3,1:3,en) = subFi0
|
||||
phase_mechanical_S(ph)%data(1:3,1:3,en) = phase_mechanical_S0(ph)%data(1:3,1:3,en)
|
||||
if (subStep < 1.0_pReal) then ! actual (not initial) cutback
|
||||
if (subStep < 1.0_pREAL) then ! actual (not initial) cutback
|
||||
phase_mechanical_Lp(ph)%data(1:3,1:3,en) = subLp0
|
||||
phase_mechanical_Li(ph)%data(1:3,1:3,en) = subLi0
|
||||
end if
|
||||
|
@ -1105,19 +1105,19 @@ end subroutine mechanical_restore
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: &
|
||||
co, & !< counter in constituent loop
|
||||
ce
|
||||
real(pReal), dimension(3,3,3,3) :: dPdF
|
||||
real(pREAL), dimension(3,3,3,3) :: dPdF
|
||||
|
||||
integer :: &
|
||||
o, &
|
||||
p, ph, en
|
||||
real(pReal), dimension(3,3) :: devNull, &
|
||||
real(pREAL), dimension(3,3) :: devNull, &
|
||||
invSubFp0,invSubFi0,invFp,invFi, &
|
||||
temp_33_1, temp_33_2, temp_33_3
|
||||
real(pReal), dimension(3,3,3,3) :: dSdFe, &
|
||||
real(pREAL), dimension(3,3,3,3) :: dSdFe, &
|
||||
dSdF, &
|
||||
dSdFi, &
|
||||
dLidS, & ! tangent in lattice configuration
|
||||
|
@ -1129,7 +1129,7 @@ module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF)
|
|||
rhs_3333, &
|
||||
lhs_3333, &
|
||||
temp_3333
|
||||
real(pReal), dimension(9,9):: temp_99
|
||||
real(pREAL), dimension(9,9):: temp_99
|
||||
logical :: error
|
||||
|
||||
|
||||
|
@ -1150,9 +1150,9 @@ module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF)
|
|||
invSubFi0 = math_inv33(phase_mechanical_Fi0(ph)%data(1:3,1:3,en))
|
||||
|
||||
if (sum(abs(dLidS)) < tol_math_check) then
|
||||
dFidS = 0.0_pReal
|
||||
dFidS = 0.0_pREAL
|
||||
else
|
||||
lhs_3333 = 0.0_pReal; rhs_3333 = 0.0_pReal
|
||||
lhs_3333 = 0.0_pREAL; rhs_3333 = 0.0_pREAL
|
||||
do o=1,3; do p=1,3
|
||||
#ifndef __INTEL_LLVM_COMPILER
|
||||
lhs_3333(1:3,1:3,o,p) = lhs_3333(1:3,1:3,o,p) &
|
||||
|
@ -1171,7 +1171,7 @@ module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF)
|
|||
if (error) then
|
||||
call IO_warning(600,'inversion error in analytic tangent calculation', &
|
||||
label1='phase',ID1=ph,label2='entry',ID2=en)
|
||||
dFidS = 0.0_pReal
|
||||
dFidS = 0.0_pREAL
|
||||
else
|
||||
dFidS = math_mul3333xx3333(math_99to3333(temp_99),rhs_3333)
|
||||
end if
|
||||
|
@ -1223,7 +1223,7 @@ module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF)
|
|||
temp_33_2 = matmul(phase_mechanical_F(ph)%data(1:3,1:3,en),invFp)
|
||||
temp_33_3 = matmul(temp_33_2,phase_mechanical_S(ph)%data(1:3,1:3,en))
|
||||
|
||||
dPdF = 0.0_pReal
|
||||
dPdF = 0.0_pREAL
|
||||
do p=1,3
|
||||
dPdF(p,1:3,p,1:3) = transpose(matmul(invFp,temp_33_1))
|
||||
end do
|
||||
|
@ -1283,7 +1283,7 @@ end subroutine mechanical_restartRead
|
|||
module function mechanical_S(ph,en) result(S)
|
||||
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(3,3) :: S
|
||||
real(pREAL), dimension(3,3) :: S
|
||||
|
||||
|
||||
S = phase_mechanical_S(ph)%data(1:3,1:3,en)
|
||||
|
@ -1297,7 +1297,7 @@ end function mechanical_S
|
|||
module function mechanical_L_p(ph,en) result(L_p)
|
||||
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(3,3) :: L_p
|
||||
real(pREAL), dimension(3,3) :: L_p
|
||||
|
||||
|
||||
L_p = phase_mechanical_Lp(ph)%data(1:3,1:3,en)
|
||||
|
@ -1311,7 +1311,7 @@ end function mechanical_L_p
|
|||
module function mechanical_F_e(ph,en) result(F_e)
|
||||
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(3,3) :: F_e
|
||||
real(pREAL), dimension(3,3) :: F_e
|
||||
|
||||
|
||||
F_e = phase_mechanical_Fe(ph)%data(1:3,1:3,en)
|
||||
|
@ -1325,7 +1325,7 @@ end function mechanical_F_e
|
|||
module function mechanical_F_i(ph,en) result(F_i)
|
||||
|
||||
integer, intent(in) :: ph,en
|
||||
real(pReal), dimension(3,3) :: F_i
|
||||
real(pREAL), dimension(3,3) :: F_i
|
||||
|
||||
|
||||
F_i = phase_mechanical_Fi(ph)%data(1:3,1:3,en)
|
||||
|
@ -1339,7 +1339,7 @@ end function mechanical_F_i
|
|||
module function phase_P(co,ce) result(P)
|
||||
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal), dimension(3,3) :: P
|
||||
real(pREAL), dimension(3,3) :: P
|
||||
|
||||
|
||||
P = phase_mechanical_P(material_ID_phase(co,ce))%data(1:3,1:3,material_entry_phase(co,ce))
|
||||
|
@ -1353,7 +1353,7 @@ end function phase_P
|
|||
module function phase_F(co,ce) result(F)
|
||||
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal), dimension(3,3) :: F
|
||||
real(pREAL), dimension(3,3) :: F
|
||||
|
||||
|
||||
F = phase_mechanical_F(material_ID_phase(co,ce))%data(1:3,1:3,material_entry_phase(co,ce))
|
||||
|
@ -1366,7 +1366,7 @@ end function phase_F
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine phase_set_F(F,co,ce)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: F
|
||||
real(pREAL), dimension(3,3), intent(in) :: F
|
||||
integer, intent(in) :: co, ce
|
||||
|
||||
|
||||
|
|
|
@ -20,9 +20,9 @@ submodule(phase:mechanical) eigen
|
|||
|
||||
module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
|
||||
integer, intent(in) :: ph, me
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
Li !< thermal velocity gradient
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
|
||||
end subroutine thermalexpansion_LiAndItsTangent
|
||||
|
||||
|
@ -145,32 +145,32 @@ module subroutine phase_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
|
|||
|
||||
integer, intent(in) :: &
|
||||
ph,en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
S !< 2nd Piola-Kirchhoff stress
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
Li !< intermediate velocity gradient
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dLi_dS, & !< derivative of Li with respect to S
|
||||
dLi_dFi
|
||||
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
my_Li, & !< intermediate velocity gradient
|
||||
FiInv, &
|
||||
temp_33
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
real(pREAL), dimension(3,3,3,3) :: &
|
||||
my_dLi_dS
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
detFi
|
||||
integer :: &
|
||||
k, i, j
|
||||
logical :: active
|
||||
|
||||
active = .false.
|
||||
Li = 0.0_pReal
|
||||
dLi_dS = 0.0_pReal
|
||||
dLi_dFi = 0.0_pReal
|
||||
Li = 0.0_pREAL
|
||||
dLi_dS = 0.0_pREAL
|
||||
dLi_dFi = 0.0_pREAL
|
||||
|
||||
|
||||
plasticType: select case (phase_plasticity(ph))
|
||||
|
|
|
@ -75,13 +75,13 @@ end function thermalexpansion_init
|
|||
module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
|
||||
|
||||
integer, intent(in) :: ph, me
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
Li !< thermal velocity gradient
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
|
||||
|
||||
real(pReal) :: T, dot_T
|
||||
real(pReal), dimension(3,3) :: Alpha
|
||||
real(pREAL) :: T, dot_T
|
||||
real(pREAL), dimension(3,3) :: Alpha
|
||||
|
||||
|
||||
T = thermal_T(ph,me)
|
||||
|
@ -89,14 +89,14 @@ module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
|
|||
|
||||
associate(prm => param(kinematics_thermal_expansion_instance(ph)))
|
||||
|
||||
Alpha = 0.0_pReal
|
||||
Alpha = 0.0_pREAL
|
||||
Alpha(1,1) = prm%Alpha_11%at(T)
|
||||
if (any(phase_lattice(ph) == ['hP','tI'])) Alpha(3,3) = prm%Alpha_33%at(T)
|
||||
Alpha = lattice_symmetrize_33(Alpha,phase_lattice(ph))
|
||||
Li = dot_T * Alpha
|
||||
|
||||
end associate
|
||||
dLi_dTstar = 0.0_pReal
|
||||
dLi_dTstar = 0.0_pREAL
|
||||
|
||||
end subroutine thermalexpansion_LiAndItsTangent
|
||||
|
||||
|
|
|
@ -77,13 +77,13 @@ pure module function elastic_C66(ph,en) result(C66)
|
|||
ph, &
|
||||
en
|
||||
|
||||
real(pReal), dimension(6,6) :: C66
|
||||
real(pReal) :: T
|
||||
real(pREAL), dimension(6,6) :: C66
|
||||
real(pREAL) :: T
|
||||
|
||||
|
||||
associate(prm => param(ph))
|
||||
|
||||
C66 = 0.0_pReal
|
||||
C66 = 0.0_pREAL
|
||||
T = thermal_T(ph,en)
|
||||
|
||||
C66(1,1) = prm%C_11%at(T)
|
||||
|
@ -113,7 +113,7 @@ pure module function elastic_mu(ph,en,isotropic_bound) result(mu)
|
|||
ph, &
|
||||
en
|
||||
character(len=*), intent(in) :: isotropic_bound
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
mu
|
||||
|
||||
|
||||
|
@ -135,7 +135,7 @@ pure module function elastic_nu(ph,en,isotropic_bound) result(nu)
|
|||
ph, &
|
||||
en
|
||||
character(len=*), intent(in) :: isotropic_bound
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
nu
|
||||
|
||||
|
||||
|
@ -160,18 +160,18 @@ module subroutine phase_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
|
|||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
Fe, & !< elastic deformation gradient
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
S !< 2nd Piola-Kirchhoff stress tensor in lattice configuration
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dS_dFe, & !< derivative of 2nd P-K stress with respect to elastic deformation gradient
|
||||
dS_dFi !< derivative of 2nd P-K stress with respect to intermediate deformation gradient
|
||||
|
||||
real(pReal), dimension(3,3) :: E
|
||||
real(pReal), dimension(6,6) :: C66
|
||||
real(pReal), dimension(3,3,3,3) :: C
|
||||
real(pREAL), dimension(3,3) :: E
|
||||
real(pREAL), dimension(6,6) :: C66
|
||||
real(pREAL), dimension(3,3,3,3) :: C
|
||||
integer :: &
|
||||
i, j
|
||||
|
||||
|
@ -179,12 +179,12 @@ module subroutine phase_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
|
|||
C66 = phase_damage_C66(phase_homogenizedC66(ph,en),ph,en)
|
||||
C = math_Voigt66to3333_stiffness(C66)
|
||||
|
||||
E = 0.5_pReal*(matmul(transpose(Fe),Fe)-math_I3) !< Green-Lagrange strain in unloaded configuration
|
||||
E = 0.5_pREAL*(matmul(transpose(Fe),Fe)-math_I3) !< Green-Lagrange strain in unloaded configuration
|
||||
S = math_Voigt6to33_stress(matmul(C66,math_33toVoigt6_strain(matmul(matmul(transpose(Fi),E),Fi))))!< 2PK stress in lattice configuration in work conjugate with GL strain pulled back to lattice configuration
|
||||
|
||||
do i =1,3; do j=1,3
|
||||
dS_dFe(i,j,1:3,1:3) = matmul(Fe,matmul(matmul(Fi,C(i,j,1:3,1:3)),transpose(Fi))) !< dS_ij/dFe_kl = C_ijmn * Fi_lm * Fi_on * Fe_ko
|
||||
dS_dFi(i,j,1:3,1:3) = 2.0_pReal*matmul(matmul(E,Fi),C(i,j,1:3,1:3)) !< dS_ij/dFi_kl = C_ijln * E_km * Fe_mn
|
||||
dS_dFi(i,j,1:3,1:3) = 2.0_pREAL*matmul(matmul(E,Fi),C(i,j,1:3,1:3)) !< dS_ij/dFi_kl = C_ijln * E_km * Fe_mn
|
||||
end do; end do
|
||||
|
||||
end subroutine phase_hooke_SandItsTangents
|
||||
|
@ -195,7 +195,7 @@ end subroutine phase_hooke_SandItsTangents
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function phase_homogenizedC66(ph,en) result(C)
|
||||
|
||||
real(pReal), dimension(6,6) :: C
|
||||
real(pREAL), dimension(6,6) :: C
|
||||
integer, intent(in) :: ph, en
|
||||
|
||||
|
||||
|
|
|
@ -38,11 +38,11 @@ submodule(phase:mechanical) plastic
|
|||
end function plastic_nonlocal_init
|
||||
|
||||
module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -50,11 +50,11 @@ submodule(phase:mechanical) plastic
|
|||
end subroutine isotropic_LpAndItsTangent
|
||||
|
||||
pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -62,11 +62,11 @@ submodule(phase:mechanical) plastic
|
|||
end subroutine phenopowerlaw_LpAndItsTangent
|
||||
|
||||
pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -74,11 +74,11 @@ submodule(phase:mechanical) plastic
|
|||
end subroutine kinehardening_LpAndItsTangent
|
||||
|
||||
module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -86,11 +86,11 @@ submodule(phase:mechanical) plastic
|
|||
end subroutine dislotwin_LpAndItsTangent
|
||||
|
||||
pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -98,11 +98,11 @@ submodule(phase:mechanical) plastic
|
|||
end subroutine dislotungsten_LpAndItsTangent
|
||||
|
||||
module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -111,59 +111,59 @@ submodule(phase:mechanical) plastic
|
|||
|
||||
|
||||
module function isotropic_dotState(Mp,ph,en) result(dotState)
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
end function isotropic_dotState
|
||||
|
||||
module function phenopowerlaw_dotState(Mp,ph,en) result(dotState)
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
end function phenopowerlaw_dotState
|
||||
|
||||
module function plastic_kinehardening_dotState(Mp,ph,en) result(dotState)
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
end function plastic_kinehardening_dotState
|
||||
|
||||
module function dislotwin_dotState(Mp,ph,en) result(dotState)
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
end function dislotwin_dotState
|
||||
|
||||
module function dislotungsten_dotState(Mp,ph,en) result(dotState)
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
end function dislotungsten_dotState
|
||||
|
||||
module subroutine nonlocal_dotState(Mp,timestep,ph,en)
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< MandelStress
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
timestep !< substepped crystallite time increment
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -189,7 +189,7 @@ submodule(phase:mechanical) plastic
|
|||
end subroutine nonlocal_dependentState
|
||||
|
||||
module subroutine plastic_kinehardening_deltaState(Mp,ph,en)
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -197,7 +197,7 @@ submodule(phase:mechanical) plastic
|
|||
end subroutine plastic_kinehardening_deltaState
|
||||
|
||||
module subroutine plastic_nonlocal_deltaState(Mp,ph,en)
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -234,27 +234,27 @@ module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
|
|||
S, Fi, ph,en)
|
||||
integer, intent(in) :: &
|
||||
ph,en
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
real(pREAL), intent(in), dimension(3,3) :: &
|
||||
S, & !< 2nd Piola-Kirchhoff stress
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), intent(out), dimension(3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3) :: &
|
||||
Lp !< plastic velocity gradient
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||
real(pREAL), intent(out), dimension(3,3,3,3) :: &
|
||||
dLp_dS, &
|
||||
dLp_dFi !< derivative en Lp with respect to Fi
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
real(pREAL), dimension(3,3,3,3) :: &
|
||||
dLp_dMp !< derivative of Lp with respect to Mandel stress
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
Mp !< Mandel stress work conjugate with Lp
|
||||
integer :: &
|
||||
i, j
|
||||
|
||||
|
||||
if (phase_plasticity(ph) == PLASTIC_NONE_ID) then
|
||||
Lp = 0.0_pReal
|
||||
dLp_dFi = 0.0_pReal
|
||||
dLp_dS = 0.0_pReal
|
||||
Lp = 0.0_pREAL
|
||||
dLp_dFi = 0.0_pREAL
|
||||
dLp_dS = 0.0_pREAL
|
||||
else
|
||||
|
||||
Mp = matmul(matmul(transpose(Fi),Fi),S)
|
||||
|
@ -300,11 +300,11 @@ module function plastic_dotState(subdt,ph,en) result(dotState)
|
|||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
subdt !< timestep
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
Mp
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
|
||||
|
||||
|
@ -376,7 +376,7 @@ module function plastic_deltaState(ph, en) result(broken)
|
|||
en
|
||||
logical :: broken
|
||||
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
Mp
|
||||
integer :: &
|
||||
mySize
|
||||
|
|
|
@ -8,11 +8,11 @@
|
|||
submodule(phase:plastic) dislotungsten
|
||||
|
||||
type :: tParameters
|
||||
real(pReal) :: &
|
||||
D = 1.0_pReal, & !< grain size
|
||||
D_0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
|
||||
Q_cl = 1.0_pReal !< activation energy for dislocation climb
|
||||
real(pReal), allocatable, dimension(:) :: &
|
||||
real(pREAL) :: &
|
||||
D = 1.0_pREAL, & !< grain size
|
||||
D_0 = 1.0_pREAL, & !< prefactor for self-diffusion coefficient
|
||||
Q_cl = 1.0_pREAL !< activation energy for dislocation climb
|
||||
real(pREAL), allocatable, dimension(:) :: &
|
||||
b_sl, & !< magnitude of Burgers vector [m]
|
||||
d_caron, & !< distance of spontaneous annhihilation
|
||||
i_sl, & !< Adj. parameter for distance between 2 forest dislocations
|
||||
|
@ -26,10 +26,10 @@ submodule(phase:plastic) dislotungsten
|
|||
h, & !< height of the kink pair
|
||||
w, & !< width of the kink pair
|
||||
omega !< attempt frequency for kink pair nucleation
|
||||
real(pReal), allocatable, dimension(:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:) :: &
|
||||
h_sl_sl, & !< slip resistance from slip activity
|
||||
forestProjection
|
||||
real(pReal), allocatable, dimension(:,:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:,:) :: &
|
||||
P_sl, &
|
||||
P_nS_pos, &
|
||||
P_nS_neg
|
||||
|
@ -53,14 +53,14 @@ submodule(phase:plastic) dislotungsten
|
|||
end type tIndexDotState
|
||||
|
||||
type :: tDislotungstenState
|
||||
real(pReal), dimension(:,:), pointer :: &
|
||||
real(pREAL), dimension(:,:), pointer :: &
|
||||
rho_mob, &
|
||||
rho_dip, &
|
||||
gamma_sl
|
||||
end type tDislotungstenState
|
||||
|
||||
type :: tDislotungstenDependentState
|
||||
real(pReal), dimension(:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:), allocatable :: &
|
||||
Lambda_sl, &
|
||||
tau_pass
|
||||
end type tDislotungstenDependentState
|
||||
|
@ -89,7 +89,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
|||
startIndex, endIndex
|
||||
integer, dimension(:), allocatable :: &
|
||||
N_sl
|
||||
real(pReal),dimension(:), allocatable :: &
|
||||
real(pREAL),dimension(:), allocatable :: &
|
||||
rho_mob_0, & !< initial dislocation density
|
||||
rho_dip_0, & !< initial dipole density
|
||||
a !< non-Schmid coefficients
|
||||
|
@ -203,16 +203,16 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
|||
prm%d_caron = pl%get_asReal('D_a') * prm%b_sl
|
||||
|
||||
! sanity checks
|
||||
if ( prm%D_0 < 0.0_pReal) extmsg = trim(extmsg)//' D_0'
|
||||
if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
|
||||
if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
|
||||
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
|
||||
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
|
||||
if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
|
||||
if (any(prm%tau_Peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_Peierls'
|
||||
if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B'
|
||||
if (any(prm%d_caron < 0.0_pReal)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)'
|
||||
if (any(prm%f_at <= 0.0_pReal)) extmsg = trim(extmsg)//' f_at or b_sl'
|
||||
if ( prm%D_0 < 0.0_pREAL) extmsg = trim(extmsg)//' D_0'
|
||||
if ( prm%Q_cl <= 0.0_pREAL) extmsg = trim(extmsg)//' Q_cl'
|
||||
if (any(rho_mob_0 < 0.0_pREAL)) extmsg = trim(extmsg)//' rho_mob_0'
|
||||
if (any(rho_dip_0 < 0.0_pREAL)) extmsg = trim(extmsg)//' rho_dip_0'
|
||||
if (any(prm%b_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' b_sl'
|
||||
if (any(prm%Q_s <= 0.0_pREAL)) extmsg = trim(extmsg)//' Q_s'
|
||||
if (any(prm%tau_Peierls < 0.0_pREAL)) extmsg = trim(extmsg)//' tau_Peierls'
|
||||
if (any(prm%B < 0.0_pREAL)) extmsg = trim(extmsg)//' B'
|
||||
if (any(prm%d_caron < 0.0_pREAL)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)'
|
||||
if (any(prm%f_at <= 0.0_pREAL)) extmsg = trim(extmsg)//' f_at or b_sl'
|
||||
|
||||
else slipActive
|
||||
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
|
||||
|
@ -239,25 +239,25 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
|||
idx_dot%rho_mob = [startIndex,endIndex]
|
||||
stt%rho_mob => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_mob = spread(rho_mob_0,2,Nmembers)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_rho'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
idx_dot%rho_dip = [startIndex,endIndex]
|
||||
stt%rho_dip => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_dip = spread(rho_dip_0,2,Nmembers)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pReal)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
idx_dot%gamma_sl = [startIndex,endIndex]
|
||||
stt%gamma_sl => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
|
||||
allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers), source=0.0_pReal)
|
||||
allocate(dst%tau_pass(prm%sum_N_sl,Nmembers), source=0.0_pReal)
|
||||
allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers), source=0.0_pREAL)
|
||||
allocate(dst%tau_pass(prm%sum_N_sl,Nmembers), source=0.0_pREAL)
|
||||
|
||||
end associate
|
||||
|
||||
|
@ -275,11 +275,11 @@ end function plastic_dislotungsten_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
|
||||
Mp,ph,en)
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp !< plastic velocity gradient
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp !< derivative of Lp with respect to the Mandel stress
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -287,16 +287,16 @@ pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
|
|||
|
||||
integer :: &
|
||||
i,k,l,m,n
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
T !< temperature
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_pos,dot_gamma_neg, &
|
||||
ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
|
||||
|
||||
|
||||
T = thermal_T(ph,en)
|
||||
Lp = 0.0_pReal
|
||||
dLp_dMp = 0.0_pReal
|
||||
Lp = 0.0_pREAL
|
||||
dLp_dMp = 0.0_pREAL
|
||||
|
||||
associate(prm => param(ph))
|
||||
|
||||
|
@ -319,15 +319,15 @@ end subroutine dislotungsten_LpAndItsTangent
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function dislotungsten_dotState(Mp,ph,en) result(dotState)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_pos, dot_gamma_neg,&
|
||||
tau_pos,&
|
||||
tau_neg, &
|
||||
|
@ -335,7 +335,7 @@ module function dislotungsten_dotState(Mp,ph,en) result(dotState)
|
|||
dot_rho_dip_formation, &
|
||||
dot_rho_dip_climb, &
|
||||
d_hat
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
mu, T
|
||||
|
||||
|
||||
|
@ -353,26 +353,26 @@ module function dislotungsten_dotState(Mp,ph,en) result(dotState)
|
|||
|
||||
dot_gamma_sl = abs(dot_gamma_pos+dot_gamma_neg)
|
||||
|
||||
where(dEq0((tau_pos+tau_neg)*0.5_pReal))
|
||||
dot_rho_dip_formation = 0.0_pReal
|
||||
dot_rho_dip_climb = 0.0_pReal
|
||||
where(dEq0((tau_pos+tau_neg)*0.5_pREAL))
|
||||
dot_rho_dip_formation = 0.0_pREAL
|
||||
dot_rho_dip_climb = 0.0_pREAL
|
||||
else where
|
||||
d_hat = math_clip(3.0_pReal*mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos+tau_neg)*0.5_pReal), &
|
||||
d_hat = math_clip(3.0_pREAL*mu*prm%b_sl/(16.0_pREAL*PI*abs(tau_pos+tau_neg)*0.5_pREAL), &
|
||||
prm%d_caron, & ! lower limit
|
||||
dst%Lambda_sl(:,en)) ! upper limit
|
||||
dot_rho_dip_formation = merge(2.0_pReal*(d_hat-prm%d_caron)*stt%rho_mob(:,en)*dot_gamma_sl/prm%b_sl, &
|
||||
0.0_pReal, &
|
||||
dot_rho_dip_formation = merge(2.0_pREAL*(d_hat-prm%d_caron)*stt%rho_mob(:,en)*dot_gamma_sl/prm%b_sl, &
|
||||
0.0_pREAL, &
|
||||
prm%dipoleformation)
|
||||
v_cl = (3.0_pReal*mu*prm%D_0*exp(-prm%Q_cl/(K_B*T))*prm%f_at/(TAU*K_B*T)) &
|
||||
* (1.0_pReal/(d_hat+prm%d_caron))
|
||||
dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,en))/(d_hat-prm%d_caron) ! ToDo: Discuss with Franz: Stress dependency?
|
||||
v_cl = (3.0_pREAL*mu*prm%D_0*exp(-prm%Q_cl/(K_B*T))*prm%f_at/(TAU*K_B*T)) &
|
||||
* (1.0_pREAL/(d_hat+prm%d_caron))
|
||||
dot_rho_dip_climb = (4.0_pREAL*v_cl*stt%rho_dip(:,en))/(d_hat-prm%d_caron) ! ToDo: Discuss with Franz: Stress dependency?
|
||||
end where
|
||||
|
||||
dot_rho_mob = dot_gamma_sl/(prm%b_sl*dst%Lambda_sl(:,en)) & ! multiplication
|
||||
- dot_rho_dip_formation &
|
||||
- (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_mob(:,en)*dot_gamma_sl ! Spontaneous annihilation of 2 edges
|
||||
- (2.0_pREAL*prm%d_caron)/prm%b_sl*stt%rho_mob(:,en)*dot_gamma_sl ! Spontaneous annihilation of 2 edges
|
||||
dot_rho_dip = dot_rho_dip_formation &
|
||||
- (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_dip(:,en)*dot_gamma_sl & ! Spontaneous annihilation of an edge with a dipole
|
||||
- (2.0_pREAL*prm%d_caron)/prm%b_sl*stt%rho_dip(:,en)*dot_gamma_sl & ! Spontaneous annihilation of an edge with a dipole
|
||||
- dot_rho_dip_climb
|
||||
|
||||
end associate
|
||||
|
@ -389,7 +389,7 @@ module subroutine dislotungsten_dependentState(ph,en)
|
|||
ph, &
|
||||
en
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
Lambda_sl_inv
|
||||
|
||||
|
||||
|
@ -398,9 +398,9 @@ module subroutine dislotungsten_dependentState(ph,en)
|
|||
dst%tau_pass(:,en) = elastic_mu(ph,en,prm%isotropic_bound)*prm%b_sl &
|
||||
* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,en)+stt%rho_dip(:,en)))
|
||||
|
||||
Lambda_sl_inv = 1.0_pReal/prm%D &
|
||||
Lambda_sl_inv = 1.0_pREAL/prm%D &
|
||||
+ sqrt(matmul(prm%forestProjection,stt%rho_mob(:,en)+stt%rho_dip(:,en)))/prm%i_sl
|
||||
dst%Lambda_sl(:,en) = Lambda_sl_inv**(-1.0_pReal)
|
||||
dst%Lambda_sl(:,en) = Lambda_sl_inv**(-1.0_pREAL)
|
||||
|
||||
end associate
|
||||
|
||||
|
@ -458,24 +458,24 @@ end subroutine plastic_dislotungsten_result
|
|||
pure subroutine kinetics(Mp,T,ph,en, &
|
||||
dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg,tau_pos_out,tau_neg_out)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
T !< temperature
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
||||
real(pReal), intent(out), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), intent(out), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_pos, &
|
||||
dot_gamma_neg
|
||||
real(pReal), intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
|
||||
ddot_gamma_dtau_pos, &
|
||||
ddot_gamma_dtau_neg, &
|
||||
tau_pos_out, &
|
||||
tau_neg_out
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
StressRatio, &
|
||||
StressRatio_p,StressRatio_pminus1, &
|
||||
dvel, &
|
||||
|
@ -495,7 +495,7 @@ pure subroutine kinetics(Mp,T,ph,en, &
|
|||
if (present(tau_neg_out)) tau_neg_out = tau_neg
|
||||
|
||||
associate(BoltzmannRatio => prm%Q_s/(K_B*T), &
|
||||
b_rho_half => stt%rho_mob(:,en) * prm%b_sl * 0.5_pReal, &
|
||||
b_rho_half => stt%rho_mob(:,en) * prm%b_sl * 0.5_pREAL, &
|
||||
effectiveLength => dst%Lambda_sl(:,en) - prm%w)
|
||||
|
||||
tau_eff = abs(tau_pos)-dst%tau_pass(:,en)
|
||||
|
@ -503,28 +503,28 @@ pure subroutine kinetics(Mp,T,ph,en, &
|
|||
significantPositiveTau: where(tau_eff > tol_math_check)
|
||||
StressRatio = tau_eff/prm%tau_Peierls
|
||||
StressRatio_p = StressRatio** prm%p
|
||||
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
|
||||
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pREAL)
|
||||
|
||||
t_n = prm%b_sl*exp(BoltzmannRatio*(1.0_pReal-StressRatio_p) ** prm%q) &
|
||||
t_n = prm%b_sl*exp(BoltzmannRatio*(1.0_pREAL-StressRatio_p) ** prm%q) &
|
||||
/ (prm%omega*effectiveLength)
|
||||
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_eff) ! corrected eq. (14)
|
||||
t_k = effectiveLength * prm%B /(2.0_pREAL*prm%b_sl*tau_eff) ! corrected eq. (14)
|
||||
|
||||
dot_gamma_pos = b_rho_half * sign(prm%h/(t_n + t_k),tau_pos)
|
||||
else where significantPositiveTau
|
||||
dot_gamma_pos = 0.0_pReal
|
||||
dot_gamma_pos = 0.0_pREAL
|
||||
end where significantPositiveTau
|
||||
|
||||
if (present(ddot_gamma_dtau_pos)) then
|
||||
significantPositiveTau2: where(abs(tau_pos)-dst%tau_pass(:,en) > tol_math_check)
|
||||
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
|
||||
dtn = -1.0_pREAL * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pREAL-StressRatio_p)**(prm%q - 1.0_pREAL) &
|
||||
* StressRatio_pminus1 / prm%tau_Peierls
|
||||
dtk = -1.0_pReal * t_k / tau_pos
|
||||
dtk = -1.0_pREAL * t_k / tau_pos
|
||||
|
||||
dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2
|
||||
dvel = -1.0_pREAL * prm%h * (dtk + dtn) / (t_n + t_k)**2
|
||||
|
||||
ddot_gamma_dtau_pos = b_rho_half * dvel
|
||||
else where significantPositiveTau2
|
||||
ddot_gamma_dtau_pos = 0.0_pReal
|
||||
ddot_gamma_dtau_pos = 0.0_pREAL
|
||||
end where significantPositiveTau2
|
||||
end if
|
||||
|
||||
|
@ -533,28 +533,28 @@ pure subroutine kinetics(Mp,T,ph,en, &
|
|||
significantNegativeTau: where(tau_eff > tol_math_check)
|
||||
StressRatio = tau_eff/prm%tau_Peierls
|
||||
StressRatio_p = StressRatio** prm%p
|
||||
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
|
||||
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pREAL)
|
||||
|
||||
t_n = prm%b_sl*exp(BoltzmannRatio*(1.0_pReal-StressRatio_p) ** prm%q) &
|
||||
t_n = prm%b_sl*exp(BoltzmannRatio*(1.0_pREAL-StressRatio_p) ** prm%q) &
|
||||
/ (prm%omega*effectiveLength)
|
||||
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_eff) ! corrected eq. (14)
|
||||
t_k = effectiveLength * prm%B /(2.0_pREAL*prm%b_sl*tau_eff) ! corrected eq. (14)
|
||||
|
||||
dot_gamma_neg = b_rho_half * sign(prm%h/(t_n + t_k),tau_neg)
|
||||
else where significantNegativeTau
|
||||
dot_gamma_neg = 0.0_pReal
|
||||
dot_gamma_neg = 0.0_pREAL
|
||||
end where significantNegativeTau
|
||||
|
||||
if (present(ddot_gamma_dtau_neg)) then
|
||||
significantNegativeTau2: where(abs(tau_neg)-dst%tau_pass(:,en) > tol_math_check)
|
||||
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
|
||||
dtn = -1.0_pREAL * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pREAL-StressRatio_p)**(prm%q - 1.0_pREAL) &
|
||||
* StressRatio_pminus1 / prm%tau_Peierls
|
||||
dtk = -1.0_pReal * t_k / tau_neg
|
||||
dtk = -1.0_pREAL * t_k / tau_neg
|
||||
|
||||
dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2
|
||||
dvel = -1.0_pREAL * prm%h * (dtk + dtn) / (t_n + t_k)**2
|
||||
|
||||
ddot_gamma_dtau_neg = b_rho_half * dvel
|
||||
else where significantNegativeTau2
|
||||
ddot_gamma_dtau_neg = 0.0_pReal
|
||||
ddot_gamma_dtau_neg = 0.0_pREAL
|
||||
end where significantNegativeTau2
|
||||
end if
|
||||
|
||||
|
|
|
@ -9,31 +9,31 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
submodule(phase:plastic) dislotwin
|
||||
|
||||
real(pReal), parameter :: gamma_char_tr = sqrt(0.125_pReal) !< Characteristic shear for transformation
|
||||
real(pREAL), parameter :: gamma_char_tr = sqrt(0.125_pREAL) !< Characteristic shear for transformation
|
||||
type :: tParameters
|
||||
real(pReal) :: &
|
||||
Q_cl = 1.0_pReal, & !< activation energy for dislocation climb
|
||||
omega = 1.0_pReal, & !< frequency factor for dislocation climb
|
||||
D = 1.0_pReal, & !< grain size
|
||||
p_sb = 1.0_pReal, & !< p-exponent in shear band velocity
|
||||
q_sb = 1.0_pReal, & !< q-exponent in shear band velocity
|
||||
i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning
|
||||
i_tr = 1.0_pReal, & !< adjustment parameter to calculate MFP for transformation
|
||||
L_tw = 1.0_pReal, & !< length of twin nuclei
|
||||
L_tr = 1.0_pReal, & !< length of trans nuclei
|
||||
x_c = 1.0_pReal, & !< critical distance for formation of twin/trans nucleus
|
||||
V_cs = 1.0_pReal, & !< cross slip volume
|
||||
tau_sb = 1.0_pReal, & !< value for shearband resistance
|
||||
gamma_0_sb = 1.0_pReal, & !< value for shearband velocity_0
|
||||
E_sb = 1.0_pReal, & !< activation energy for shear bands
|
||||
h = 1.0_pReal, & !< stack height of hex nucleus
|
||||
cOverA_hP = 1.0_pReal, &
|
||||
V_mol = 1.0_pReal, &
|
||||
rho = 1.0_pReal
|
||||
real(pREAL) :: &
|
||||
Q_cl = 1.0_pREAL, & !< activation energy for dislocation climb
|
||||
omega = 1.0_pREAL, & !< frequency factor for dislocation climb
|
||||
D = 1.0_pREAL, & !< grain size
|
||||
p_sb = 1.0_pREAL, & !< p-exponent in shear band velocity
|
||||
q_sb = 1.0_pREAL, & !< q-exponent in shear band velocity
|
||||
i_tw = 1.0_pREAL, & !< adjustment parameter to calculate MFP for twinning
|
||||
i_tr = 1.0_pREAL, & !< adjustment parameter to calculate MFP for transformation
|
||||
L_tw = 1.0_pREAL, & !< length of twin nuclei
|
||||
L_tr = 1.0_pREAL, & !< length of trans nuclei
|
||||
x_c = 1.0_pREAL, & !< critical distance for formation of twin/trans nucleus
|
||||
V_cs = 1.0_pREAL, & !< cross slip volume
|
||||
tau_sb = 1.0_pREAL, & !< value for shearband resistance
|
||||
gamma_0_sb = 1.0_pREAL, & !< value for shearband velocity_0
|
||||
E_sb = 1.0_pREAL, & !< activation energy for shear bands
|
||||
h = 1.0_pREAL, & !< stack height of hex nucleus
|
||||
cOverA_hP = 1.0_pREAL, &
|
||||
V_mol = 1.0_pREAL, &
|
||||
rho = 1.0_pREAL
|
||||
type(tPolynomial) :: &
|
||||
Gamma_sf, & !< stacking fault energy
|
||||
Delta_G !< free energy difference between austensite and martensite
|
||||
real(pReal), allocatable, dimension(:) :: &
|
||||
real(pREAL), allocatable, dimension(:) :: &
|
||||
b_sl, & !< absolute length of Burgers vector [m] for each slip system
|
||||
b_tw, & !< absolute length of Burgers vector [m] for each twin system
|
||||
b_tr, & !< absolute length of Burgers vector [m] for each transformation system
|
||||
|
@ -51,7 +51,7 @@ submodule(phase:plastic) dislotwin
|
|||
gamma_char_tw, & !< characteristic shear for twins
|
||||
B, & !< drag coefficient
|
||||
d_caron !< distance of spontaneous annhihilation
|
||||
real(pReal), allocatable, dimension(:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:) :: &
|
||||
h_sl_sl, & !< components of slip-slip interaction matrix
|
||||
h_sl_tw, & !< components of slip-twin interaction matrix
|
||||
h_sl_tr, & !< components of slip-trans interaction matrix
|
||||
|
@ -59,7 +59,7 @@ submodule(phase:plastic) dislotwin
|
|||
h_tr_tr, & !< components of trans-trans interaction matrix
|
||||
n0_sl, & !< slip system normal
|
||||
forestProjection
|
||||
real(pReal), allocatable, dimension(:,:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:,:) :: &
|
||||
P_sl, &
|
||||
P_tw, &
|
||||
P_tr
|
||||
|
@ -96,7 +96,7 @@ submodule(phase:plastic) dislotwin
|
|||
end type tIndexDotState
|
||||
|
||||
type :: tDislotwinState
|
||||
real(pReal), dimension(:,:), pointer :: &
|
||||
real(pREAL), dimension(:,:), pointer :: &
|
||||
rho_mob, &
|
||||
rho_dip, &
|
||||
gamma_sl, &
|
||||
|
@ -105,7 +105,7 @@ submodule(phase:plastic) dislotwin
|
|||
end type tDislotwinState
|
||||
|
||||
type :: tDislotwinDependentState
|
||||
real(pReal), dimension(:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:), allocatable :: &
|
||||
Lambda_sl, & !< mean free path between 2 obstacles seen by a moving dislocation
|
||||
Lambda_tw, & !< mean free path between 2 obstacles seen by a growing twin
|
||||
Lambda_tr, & !< mean free path between 2 obstacles seen by a growing martensite
|
||||
|
@ -136,8 +136,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
startIndex, endIndex
|
||||
integer, dimension(:), allocatable :: &
|
||||
N_sl
|
||||
real(pReal) :: a_cF
|
||||
real(pReal), allocatable, dimension(:) :: &
|
||||
real(pREAL) :: a_cF
|
||||
real(pREAL), allocatable, dimension(:) :: &
|
||||
rho_mob_0, & !< initial unipolar dislocation density per slip system
|
||||
rho_dip_0 !< initial dipole dislocation density per slip system
|
||||
character(len=:), allocatable :: &
|
||||
|
@ -220,7 +220,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
prm%q = pl%get_as1dReal('q_sl', requiredSize=size(N_sl))
|
||||
prm%tau_0 = pl%get_as1dReal('tau_0', requiredSize=size(N_sl))
|
||||
prm%B = pl%get_as1dReal('B', requiredSize=size(N_sl), &
|
||||
defaultVal=[(0.0_pReal, i=1,size(N_sl))])
|
||||
defaultVal=[(0.0_pREAL, i=1,size(N_sl))])
|
||||
|
||||
prm%Q_cl = pl%get_asReal('Q_cl')
|
||||
|
||||
|
@ -229,8 +229,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
|
||||
! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
|
||||
prm%omega = pl%get_asReal('omega', defaultVal = 1000.0_pReal) &
|
||||
* merge(12.0_pReal,8.0_pReal,any(phase_lattice(ph) == ['cF','hP']))
|
||||
prm%omega = pl%get_asReal('omega', defaultVal = 1000.0_pREAL) &
|
||||
* merge(12.0_pREAL,8.0_pREAL,any(phase_lattice(ph) == ['cF','hP']))
|
||||
|
||||
! expand: family => system
|
||||
rho_mob_0 = math_expand(rho_mob_0, N_sl)
|
||||
|
@ -246,17 +246,17 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
prm%d_caron = pl%get_asReal('D_a') * prm%b_sl
|
||||
|
||||
! sanity checks
|
||||
if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
|
||||
if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
|
||||
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
|
||||
if (any(prm%v_0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_0'
|
||||
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
|
||||
if (any(prm%Q_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_sl'
|
||||
if (any(prm%i_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl'
|
||||
if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B'
|
||||
if (any(prm%d_caron < 0.0_pReal)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)'
|
||||
if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p_sl'
|
||||
if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q_sl'
|
||||
if ( prm%Q_cl <= 0.0_pREAL) extmsg = trim(extmsg)//' Q_cl'
|
||||
if (any(rho_mob_0 < 0.0_pREAL)) extmsg = trim(extmsg)//' rho_mob_0'
|
||||
if (any(rho_dip_0 < 0.0_pREAL)) extmsg = trim(extmsg)//' rho_dip_0'
|
||||
if (any(prm%v_0 < 0.0_pREAL)) extmsg = trim(extmsg)//' v_0'
|
||||
if (any(prm%b_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' b_sl'
|
||||
if (any(prm%Q_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' Q_sl'
|
||||
if (any(prm%i_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' i_sl'
|
||||
if (any(prm%B < 0.0_pREAL)) extmsg = trim(extmsg)//' B'
|
||||
if (any(prm%d_caron < 0.0_pREAL)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)'
|
||||
if (any(prm%p<=0.0_pREAL .or. prm%p>1.0_pREAL)) extmsg = trim(extmsg)//' p_sl'
|
||||
if (any(prm%q< 1.0_pREAL .or. prm%q>2.0_pREAL)) extmsg = trim(extmsg)//' q_sl'
|
||||
else slipActive
|
||||
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
|
||||
allocate(prm%b_sl,prm%Q_sl,prm%v_0,prm%i_sl,prm%p,prm%q,prm%B,source=emptyRealArray)
|
||||
|
@ -289,11 +289,11 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
! sanity checks
|
||||
if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TWIP for non-fcc'
|
||||
if ( prm%L_tw < 0.0_pReal) extmsg = trim(extmsg)//' L_tw'
|
||||
if ( prm%i_tw < 0.0_pReal) extmsg = trim(extmsg)//' i_tw'
|
||||
if (any(prm%b_tw < 0.0_pReal)) extmsg = trim(extmsg)//' b_tw'
|
||||
if (any(prm%t_tw < 0.0_pReal)) extmsg = trim(extmsg)//' t_tw'
|
||||
if (any(prm%r < 0.0_pReal)) extmsg = trim(extmsg)//' p_tw'
|
||||
if ( prm%L_tw < 0.0_pREAL) extmsg = trim(extmsg)//' L_tw'
|
||||
if ( prm%i_tw < 0.0_pREAL) extmsg = trim(extmsg)//' i_tw'
|
||||
if (any(prm%b_tw < 0.0_pREAL)) extmsg = trim(extmsg)//' b_tw'
|
||||
if (any(prm%t_tw < 0.0_pREAL)) extmsg = trim(extmsg)//' t_tw'
|
||||
if (any(prm%r < 0.0_pREAL)) extmsg = trim(extmsg)//' p_tw'
|
||||
else twinActive
|
||||
allocate(prm%gamma_char_tw,prm%b_tw,prm%t_tw,prm%r,source=emptyRealArray)
|
||||
allocate(prm%h_tw_tw(0,0))
|
||||
|
@ -310,10 +310,10 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
prm%i_tr = pl%get_asReal('i_tr')
|
||||
prm%Delta_G = polynomial(pl,'Delta_G','T')
|
||||
prm%L_tr = pl%get_asReal('L_tr')
|
||||
a_cF = prm%b_tr(1)*sqrt(6.0_pReal) ! b_tr is Shockley partial
|
||||
prm%h = 5.0_pReal * a_cF/sqrt(3.0_pReal)
|
||||
a_cF = prm%b_tr(1)*sqrt(6.0_pREAL) ! b_tr is Shockley partial
|
||||
prm%h = 5.0_pREAL * a_cF/sqrt(3.0_pREAL)
|
||||
prm%cOverA_hP = pl%get_asReal('c/a_hP')
|
||||
prm%rho = 4.0_pReal/(sqrt(3.0_pReal)*a_cF**2)/N_A
|
||||
prm%rho = 4.0_pREAL/(sqrt(3.0_pREAL)*a_cF**2)/N_A
|
||||
prm%V_mol = pl%get_asReal('V_mol')
|
||||
prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,pl%get_as1dReal('h_tr-tr'),&
|
||||
phase_lattice(ph))
|
||||
|
@ -327,11 +327,11 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
! sanity checks
|
||||
if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TRIP for non-fcc'
|
||||
if ( prm%L_tr < 0.0_pReal) extmsg = trim(extmsg)//' L_tr'
|
||||
if ( prm%V_mol < 0.0_pReal) extmsg = trim(extmsg)//' V_mol'
|
||||
if ( prm%i_tr < 0.0_pReal) extmsg = trim(extmsg)//' i_tr'
|
||||
if (any(prm%t_tr < 0.0_pReal)) extmsg = trim(extmsg)//' t_tr'
|
||||
if (any(prm%s < 0.0_pReal)) extmsg = trim(extmsg)//' p_tr'
|
||||
if ( prm%L_tr < 0.0_pREAL) extmsg = trim(extmsg)//' L_tr'
|
||||
if ( prm%V_mol < 0.0_pREAL) extmsg = trim(extmsg)//' V_mol'
|
||||
if ( prm%i_tr < 0.0_pREAL) extmsg = trim(extmsg)//' i_tr'
|
||||
if (any(prm%t_tr < 0.0_pREAL)) extmsg = trim(extmsg)//' t_tr'
|
||||
if (any(prm%s < 0.0_pREAL)) extmsg = trim(extmsg)//' p_tr'
|
||||
else transActive
|
||||
allocate(prm%s,prm%b_tr,prm%t_tr,source=emptyRealArray)
|
||||
allocate(prm%h_tr_tr(0,0))
|
||||
|
@ -339,18 +339,18 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! shearband related parameters
|
||||
prm%gamma_0_sb = pl%get_asReal('gamma_0_sb',defaultVal=0.0_pReal)
|
||||
if (prm%gamma_0_sb > 0.0_pReal) then
|
||||
prm%gamma_0_sb = pl%get_asReal('gamma_0_sb',defaultVal=0.0_pREAL)
|
||||
if (prm%gamma_0_sb > 0.0_pREAL) then
|
||||
prm%tau_sb = pl%get_asReal('tau_sb')
|
||||
prm%E_sb = pl%get_asReal('Q_sb')
|
||||
prm%p_sb = pl%get_asReal('p_sb')
|
||||
prm%q_sb = pl%get_asReal('q_sb')
|
||||
|
||||
! sanity checks
|
||||
if (prm%tau_sb < 0.0_pReal) extmsg = trim(extmsg)//' tau_sb'
|
||||
if (prm%E_sb < 0.0_pReal) extmsg = trim(extmsg)//' Q_sb'
|
||||
if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_sb'
|
||||
if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_sb'
|
||||
if (prm%tau_sb < 0.0_pREAL) extmsg = trim(extmsg)//' tau_sb'
|
||||
if (prm%E_sb < 0.0_pREAL) extmsg = trim(extmsg)//' Q_sb'
|
||||
if (prm%p_sb <= 0.0_pREAL) extmsg = trim(extmsg)//' p_sb'
|
||||
if (prm%q_sb <= 0.0_pREAL) extmsg = trim(extmsg)//' q_sb'
|
||||
end if
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -361,8 +361,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
if (prm%sum_N_tw + prm%sum_N_tr > 0) then
|
||||
prm%x_c = pl%get_asReal('x_c')
|
||||
prm%V_cs = pl%get_asReal('V_cs')
|
||||
if (prm%x_c < 0.0_pReal) extmsg = trim(extmsg)//' x_c'
|
||||
if (prm%V_cs < 0.0_pReal) extmsg = trim(extmsg)//' V_cs'
|
||||
if (prm%x_c < 0.0_pREAL) extmsg = trim(extmsg)//' x_c'
|
||||
if (prm%V_cs < 0.0_pREAL) extmsg = trim(extmsg)//' V_cs'
|
||||
end if
|
||||
|
||||
if (prm%sum_N_tw + prm%sum_N_tr > 0 .or. prm%extendedDislocations) &
|
||||
|
@ -402,41 +402,41 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
idx_dot%rho_mob = [startIndex,endIndex]
|
||||
stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_mob= spread(rho_mob_0,2,Nmembers)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_rho'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
idx_dot%rho_dip = [startIndex,endIndex]
|
||||
stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_dip= spread(rho_dip_0,2,Nmembers)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pReal)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
idx_dot%gamma_sl = [startIndex,endIndex]
|
||||
stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_tw
|
||||
idx_dot%f_tw = [startIndex,endIndex]
|
||||
stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_f_tw',defaultVal=1.0e-6_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tw'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_f_tw',defaultVal=1.0e-6_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_f_tw'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_tr
|
||||
idx_dot%f_tr = [startIndex,endIndex]
|
||||
stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_f_tr',defaultVal=1.0e-6_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tr'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_f_tr',defaultVal=1.0e-6_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_f_tr'
|
||||
|
||||
allocate(dst%tau_pass (prm%sum_N_sl,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%Lambda_tw(prm%sum_N_tw,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%Lambda_tr(prm%sum_N_tr,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%tau_pass (prm%sum_N_sl,Nmembers),source=0.0_pREAL)
|
||||
allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers),source=0.0_pREAL)
|
||||
allocate(dst%Lambda_tw(prm%sum_N_tw,Nmembers),source=0.0_pREAL)
|
||||
allocate(dst%Lambda_tr(prm%sum_N_tr,Nmembers),source=0.0_pREAL)
|
||||
|
||||
end associate
|
||||
|
||||
|
@ -456,21 +456,21 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
|
|||
|
||||
integer, intent(in) :: &
|
||||
ph, en
|
||||
real(pReal), dimension(6,6) :: &
|
||||
real(pREAL), dimension(6,6) :: &
|
||||
homogenizedC, &
|
||||
C
|
||||
real(pReal), dimension(:,:,:), allocatable :: &
|
||||
real(pREAL), dimension(:,:,:), allocatable :: &
|
||||
C66_tw, &
|
||||
C66_tr
|
||||
integer :: i
|
||||
real(pReal) :: f_matrix
|
||||
real(pREAL) :: f_matrix
|
||||
|
||||
|
||||
C = elastic_C66(ph,en)
|
||||
|
||||
associate(prm => param(ph), stt => state(ph))
|
||||
|
||||
f_matrix = 1.0_pReal &
|
||||
f_matrix = 1.0_pREAL &
|
||||
- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
|
||||
- sum(stt%f_tr(1:prm%sum_N_tr,en))
|
||||
|
||||
|
@ -502,28 +502,28 @@ end function plastic_dislotwin_homogenizedC
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
|
||||
real(pReal), dimension(3,3), intent(out) :: Lp
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
|
||||
real(pReal), dimension(3,3), intent(in) :: Mp
|
||||
real(pREAL), dimension(3,3), intent(out) :: Lp
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: dLp_dMp
|
||||
real(pREAL), dimension(3,3), intent(in) :: Mp
|
||||
integer, intent(in) :: ph,en
|
||||
|
||||
integer :: i,k,l,m,n
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
f_matrix,StressRatio_p,&
|
||||
E_kB_T, &
|
||||
ddot_gamma_dtau, &
|
||||
tau, &
|
||||
T
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_sl,ddot_gamma_dtau_sl
|
||||
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tw) :: &
|
||||
dot_gamma_tw,ddot_gamma_dtau_tw
|
||||
real(pReal), dimension(param(ph)%sum_N_tr) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tr) :: &
|
||||
dot_gamma_tr,ddot_gamma_dtau_tr
|
||||
real(pReal):: dot_gamma_sb
|
||||
real(pReal), dimension(3,3) :: eigVectors, P_sb
|
||||
real(pReal), dimension(3) :: eigValues
|
||||
real(pReal), dimension(3,6), parameter :: &
|
||||
real(pREAL):: dot_gamma_sb
|
||||
real(pREAL), dimension(3,3) :: eigVectors, P_sb
|
||||
real(pREAL), dimension(3) :: eigValues
|
||||
real(pREAL), dimension(3,6), parameter :: &
|
||||
sb_sComposition = &
|
||||
reshape(real([&
|
||||
1, 0, 1, &
|
||||
|
@ -532,7 +532,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
|||
1,-1, 0, &
|
||||
0, 1, 1, &
|
||||
0, 1,-1 &
|
||||
],pReal),[ 3,6]), &
|
||||
],pREAL),[ 3,6]), &
|
||||
sb_mComposition = &
|
||||
reshape(real([&
|
||||
1, 0,-1, &
|
||||
|
@ -541,16 +541,16 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
|||
1, 1, 0, &
|
||||
0, 1,-1, &
|
||||
0, 1, 1 &
|
||||
],pReal),[ 3,6])
|
||||
],pREAL),[ 3,6])
|
||||
|
||||
|
||||
T = thermal_T(ph,en)
|
||||
Lp = 0.0_pReal
|
||||
dLp_dMp = 0.0_pReal
|
||||
Lp = 0.0_pREAL
|
||||
dLp_dMp = 0.0_pREAL
|
||||
|
||||
associate(prm => param(ph), stt => state(ph))
|
||||
|
||||
f_matrix = 1.0_pReal &
|
||||
f_matrix = 1.0_pREAL &
|
||||
- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
|
||||
- sum(stt%f_tr(1:prm%sum_N_tr,en))
|
||||
|
||||
|
@ -587,7 +587,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
|||
call math_eigh33(eigValues,eigVectors,Mp) ! is Mp symmetric by design?
|
||||
|
||||
do i = 1,6
|
||||
P_sb = 0.5_pReal * math_outer(matmul(eigVectors,sb_sComposition(1:3,i)),&
|
||||
P_sb = 0.5_pREAL * math_outer(matmul(eigVectors,sb_sComposition(1:3,i)),&
|
||||
matmul(eigVectors,sb_mComposition(1:3,i)))
|
||||
tau = math_tensordot(Mp,P_sb)
|
||||
|
||||
|
@ -595,8 +595,8 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
|||
StressRatio_p = (abs(tau)/prm%tau_sb)**prm%p_sb
|
||||
dot_gamma_sb = sign(prm%gamma_0_sb*exp(-E_kB_T*(1-StressRatio_p)**prm%q_sb), tau)
|
||||
ddot_gamma_dtau = abs(dot_gamma_sb)*E_kB_T*prm%p_sb*prm%q_sb/prm%tau_sb &
|
||||
* (abs(tau)/prm%tau_sb)**(prm%p_sb-1.0_pReal) &
|
||||
* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
|
||||
* (abs(tau)/prm%tau_sb)**(prm%p_sb-1.0_pREAL) &
|
||||
* (1.0_pREAL-StressRatio_p)**(prm%q_sb-1.0_pREAL)
|
||||
|
||||
Lp = Lp + dot_gamma_sb * P_sb
|
||||
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
||||
|
@ -617,31 +617,31 @@ end subroutine dislotwin_LpAndItsTangent
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function dislotwin_dotState(Mp,ph,en) result(dotState)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in):: &
|
||||
real(pREAL), dimension(3,3), intent(in):: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
|
||||
integer :: i
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
f_matrix, &
|
||||
d_hat, &
|
||||
v_cl, & !< climb velocity
|
||||
tau, &
|
||||
sigma_cl, & !< climb stress
|
||||
b_d !< ratio of Burgers vector to stacking fault width
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_rho_dip_formation, &
|
||||
dot_rho_dip_climb, &
|
||||
dot_gamma_sl
|
||||
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tw) :: &
|
||||
dot_gamma_tw
|
||||
real(pReal), dimension(param(ph)%sum_N_tr) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tr) :: &
|
||||
dot_gamma_tr
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
mu, nu, &
|
||||
T
|
||||
|
||||
|
@ -657,7 +657,7 @@ module function dislotwin_dotState(Mp,ph,en) result(dotState)
|
|||
nu = elastic_nu(ph,en,prm%isotropic_bound)
|
||||
T = thermal_T(ph,en)
|
||||
|
||||
f_matrix = 1.0_pReal &
|
||||
f_matrix = 1.0_pREAL &
|
||||
- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
|
||||
- sum(stt%f_tr(1:prm%sum_N_tr,en))
|
||||
|
||||
|
@ -668,30 +668,30 @@ module function dislotwin_dotState(Mp,ph,en) result(dotState)
|
|||
tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
|
||||
|
||||
significantSlipStress: if (dEq0(tau) .or. prm%omitDipoles) then
|
||||
dot_rho_dip_formation(i) = 0.0_pReal
|
||||
dot_rho_dip_climb(i) = 0.0_pReal
|
||||
dot_rho_dip_formation(i) = 0.0_pREAL
|
||||
dot_rho_dip_climb(i) = 0.0_pREAL
|
||||
else significantSlipStress
|
||||
d_hat = 3.0_pReal*mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau))
|
||||
d_hat = 3.0_pREAL*mu*prm%b_sl(i)/(16.0_pREAL*PI*abs(tau))
|
||||
d_hat = math_clip(d_hat, right = dst%Lambda_sl(i,en))
|
||||
d_hat = math_clip(d_hat, left = prm%d_caron(i))
|
||||
|
||||
dot_rho_dip_formation(i) = 2.0_pReal*(d_hat-prm%d_caron(i))/prm%b_sl(i) &
|
||||
dot_rho_dip_formation(i) = 2.0_pREAL*(d_hat-prm%d_caron(i))/prm%b_sl(i) &
|
||||
* stt%rho_mob(i,en)*abs_dot_gamma_sl(i)
|
||||
|
||||
if (dEq(d_hat,prm%d_caron(i))) then
|
||||
dot_rho_dip_climb(i) = 0.0_pReal
|
||||
dot_rho_dip_climb(i) = 0.0_pREAL
|
||||
else
|
||||
! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
|
||||
sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
|
||||
if (prm%extendedDislocations) then
|
||||
b_d = 24.0_pReal*PI*(1.0_pReal - nu)/(2.0_pReal + nu) * prm%Gamma_sf%at(T) / (mu*prm%b_sl(i))
|
||||
b_d = 24.0_pREAL*PI*(1.0_pREAL - nu)/(2.0_pREAL + nu) * prm%Gamma_sf%at(T) / (mu*prm%b_sl(i))
|
||||
else
|
||||
b_d = 1.0_pReal
|
||||
b_d = 1.0_pREAL
|
||||
end if
|
||||
v_cl = 2.0_pReal*prm%omega*b_d**2*exp(-prm%Q_cl/(K_B*T)) &
|
||||
* (exp(abs(sigma_cl)*prm%b_sl(i)**3/(K_B*T)) - 1.0_pReal)
|
||||
v_cl = 2.0_pREAL*prm%omega*b_d**2*exp(-prm%Q_cl/(K_B*T)) &
|
||||
* (exp(abs(sigma_cl)*prm%b_sl(i)**3/(K_B*T)) - 1.0_pREAL)
|
||||
|
||||
dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,en) &
|
||||
dot_rho_dip_climb(i) = 4.0_pREAL*v_cl*stt%rho_dip(i,en) &
|
||||
/ (d_hat-prm%d_caron(i))
|
||||
end if
|
||||
end if significantSlipStress
|
||||
|
@ -699,10 +699,10 @@ module function dislotwin_dotState(Mp,ph,en) result(dotState)
|
|||
|
||||
dot_rho_mob = abs_dot_gamma_sl/(prm%b_sl*dst%Lambda_sl(:,en)) &
|
||||
- dot_rho_dip_formation &
|
||||
- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_mob(:,en)*abs_dot_gamma_sl
|
||||
- 2.0_pREAL*prm%d_caron/prm%b_sl * stt%rho_mob(:,en)*abs_dot_gamma_sl
|
||||
|
||||
dot_rho_dip = dot_rho_dip_formation &
|
||||
- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_dip(:,en)*abs_dot_gamma_sl &
|
||||
- 2.0_pREAL*prm%d_caron/prm%b_sl * stt%rho_dip(:,en)*abs_dot_gamma_sl &
|
||||
- dot_rho_dip_climb
|
||||
|
||||
if (prm%sum_N_tw > 0) call kinetics_tw(Mp,T,abs_dot_gamma_sl,ph,en,dot_gamma_tw)
|
||||
|
@ -725,17 +725,17 @@ module subroutine dislotwin_dependentState(ph,en)
|
|||
ph, &
|
||||
en
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
sumf_tw, sumf_tr
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
inv_lambda_sl
|
||||
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tw) :: &
|
||||
inv_lambda_tw_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
|
||||
f_over_t_tw
|
||||
real(pReal), dimension(param(ph)%sum_N_tr) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tr) :: &
|
||||
inv_lambda_tr_tr, & !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite
|
||||
f_over_t_tr
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
mu
|
||||
|
||||
|
||||
|
@ -752,16 +752,16 @@ module subroutine dislotwin_dependentState(ph,en)
|
|||
|
||||
inv_lambda_sl = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,en)+stt%rho_dip(:,en)))/prm%i_sl
|
||||
if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) &
|
||||
inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_tw)
|
||||
inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pREAL-sumf_tw)
|
||||
if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) &
|
||||
inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tr,f_over_t_tr)/(1.0_pReal-sumf_tr)
|
||||
dst%Lambda_sl(:,en) = prm%D / (1.0_pReal+prm%D*inv_lambda_sl)
|
||||
inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tr,f_over_t_tr)/(1.0_pREAL-sumf_tr)
|
||||
dst%Lambda_sl(:,en) = prm%D / (1.0_pREAL+prm%D*inv_lambda_sl)
|
||||
|
||||
inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pReal-sumf_tw)
|
||||
dst%Lambda_tw(:,en) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw)
|
||||
inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pREAL-sumf_tw)
|
||||
dst%Lambda_tw(:,en) = prm%i_tw*prm%D/(1.0_pREAL+prm%D*inv_lambda_tw_tw)
|
||||
|
||||
inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_tr)
|
||||
dst%Lambda_tr(:,en) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr)
|
||||
inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pREAL-sumf_tr)
|
||||
dst%Lambda_tr(:,en) = prm%i_tr*prm%D/(1.0_pREAL+prm%D*inv_lambda_tr_tr)
|
||||
|
||||
!* threshold stress for dislocation motion
|
||||
dst%tau_pass(:,en) = mu*prm%b_sl* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,en)+stt%rho_dip(:,en)))
|
||||
|
@ -834,22 +834,22 @@ end subroutine plastic_dislotwin_result
|
|||
pure subroutine kinetics_sl(Mp,T,ph,en, &
|
||||
dot_gamma_sl,ddot_gamma_dtau_sl,tau_sl)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
T !< temperature
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(param(ph)%sum_N_sl), intent(out) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl), intent(out) :: &
|
||||
dot_gamma_sl
|
||||
real(pReal), dimension(param(ph)%sum_N_sl), optional, intent(out) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl), optional, intent(out) :: &
|
||||
ddot_gamma_dtau_sl, &
|
||||
tau_sl
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
ddot_gamma_dtau
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
tau, &
|
||||
stressRatio, &
|
||||
StressRatio_p, &
|
||||
|
@ -873,23 +873,23 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
|
|||
stressRatio = tau_eff/prm%tau_0
|
||||
StressRatio_p = stressRatio** prm%p
|
||||
Q_kB_T = prm%Q_sl/(K_B*T)
|
||||
v_wait_inverse = exp(Q_kB_T*(1.0_pReal-StressRatio_p)** prm%q) &
|
||||
v_wait_inverse = exp(Q_kB_T*(1.0_pREAL-StressRatio_p)** prm%q) &
|
||||
/ prm%v_0
|
||||
v_run_inverse = prm%B/(tau_eff*prm%b_sl)
|
||||
|
||||
dot_gamma_sl = sign(stt%rho_mob(:,en)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
|
||||
|
||||
dV_wait_inverse_dTau = -1.0_pReal * v_wait_inverse * prm%p * prm%q * Q_kB_T &
|
||||
* (stressRatio**(prm%p-1.0_pReal)) &
|
||||
* (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) &
|
||||
dV_wait_inverse_dTau = -1.0_pREAL * v_wait_inverse * prm%p * prm%q * Q_kB_T &
|
||||
* (stressRatio**(prm%p-1.0_pREAL)) &
|
||||
* (1.0_pREAL-StressRatio_p)**(prm%q-1.0_pREAL) &
|
||||
/ prm%tau_0
|
||||
dV_run_inverse_dTau = -1.0_pReal * v_run_inverse/tau_eff
|
||||
dV_dTau = -1.0_pReal * (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
|
||||
dV_run_inverse_dTau = -1.0_pREAL * v_run_inverse/tau_eff
|
||||
dV_dTau = -1.0_pREAL * (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
|
||||
/ (v_wait_inverse+v_run_inverse)**2
|
||||
ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,en)*prm%b_sl
|
||||
else where significantStress
|
||||
dot_gamma_sl = 0.0_pReal
|
||||
ddot_gamma_dtau = 0.0_pReal
|
||||
dot_gamma_sl = 0.0_pREAL
|
||||
ddot_gamma_dtau = 0.0_pREAL
|
||||
end where significantStress
|
||||
|
||||
end associate
|
||||
|
@ -910,21 +910,21 @@ end subroutine kinetics_sl
|
|||
pure subroutine kinetics_tw(Mp,T,abs_dot_gamma_sl,ph,en,&
|
||||
dot_gamma_tw,ddot_gamma_dtau_tw)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
T !< temperature
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl), intent(in) :: &
|
||||
abs_dot_gamma_sl
|
||||
real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tw), intent(out) :: &
|
||||
dot_gamma_tw
|
||||
real(pReal), dimension(param(ph)%sum_N_tw), optional, intent(out) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tw), optional, intent(out) :: &
|
||||
ddot_gamma_dtau_tw
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
tau, tau_r, tau_hat, &
|
||||
dot_N_0, &
|
||||
x0, V, &
|
||||
|
@ -943,10 +943,10 @@ pure subroutine kinetics_tw(Mp,T,abs_dot_gamma_sl,ph,en,&
|
|||
nu = elastic_nu(ph,en,prm%isotropic_bound)
|
||||
Gamma_sf = prm%Gamma_sf%at(T)
|
||||
|
||||
tau_hat = 3.0_pReal*prm%b_tw(1)*mu/prm%L_tw &
|
||||
+ Gamma_sf/(3.0_pReal*prm%b_tw(1))
|
||||
x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu))
|
||||
tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0)
|
||||
tau_hat = 3.0_pREAL*prm%b_tw(1)*mu/prm%L_tw &
|
||||
+ Gamma_sf/(3.0_pREAL*prm%b_tw(1))
|
||||
x0 = mu*prm%b_sl(1)**2*(2.0_pREAL+nu)/(Gamma_sf*8.0_pREAL*PI*(1.0_pREAL-nu))
|
||||
tau_r = mu*prm%b_sl(1)/(2.0_pREAL*PI)*(1.0_pREAL/(x0+prm%x_c)+cos(PI/3.0_pREAL)/x0)
|
||||
|
||||
do i = 1, prm%sum_N_tw
|
||||
tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
|
||||
|
@ -956,18 +956,18 @@ pure subroutine kinetics_tw(Mp,T,abs_dot_gamma_sl,ph,en,&
|
|||
dP_dTau = prm%r(i) * (tau_hat/tau)**prm%r(i)/tau * P
|
||||
|
||||
s = prm%fcc_twinNucleationSlipPair(1:2,i)
|
||||
dot_N_0 = sum(abs_dot_gamma_sl(s(2:1:-1))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tw*3.0_pReal)
|
||||
dot_N_0 = sum(abs_dot_gamma_sl(s(2:1:-1))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tw*3.0_pREAL)
|
||||
|
||||
P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
|
||||
dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal)
|
||||
P_ncs = 1.0_pREAL-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
|
||||
dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pREAL)
|
||||
|
||||
V = PI/4.0_pReal*dst%Lambda_tw(i,en)**2*prm%t_tw(i)
|
||||
V = PI/4.0_pREAL*dst%Lambda_tw(i,en)**2*prm%t_tw(i)
|
||||
dot_gamma_tw(i) = V*dot_N_0*P_ncs*P*prm%gamma_char_tw(i)
|
||||
if (present(ddot_gamma_dtau_tw)) &
|
||||
ddot_gamma_dtau_tw(i) = V*dot_N_0*(P*dP_ncs_dtau + P_ncs*dP_dtau)*prm%gamma_char_tw(i)
|
||||
else
|
||||
dot_gamma_tw(i) = 0.0_pReal
|
||||
if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal
|
||||
dot_gamma_tw(i) = 0.0_pREAL
|
||||
if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pREAL
|
||||
end if
|
||||
end do
|
||||
|
||||
|
@ -986,21 +986,21 @@ end subroutine kinetics_tw
|
|||
pure subroutine kinetics_tr(Mp,T,abs_dot_gamma_sl,ph,en,&
|
||||
dot_gamma_tr,ddot_gamma_dtau_tr)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
real(pReal), intent(in) :: &
|
||||
real(pREAL), intent(in) :: &
|
||||
T !< temperature
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl), intent(in) :: &
|
||||
abs_dot_gamma_sl
|
||||
real(pReal), dimension(param(ph)%sum_N_tr), intent(out) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tr), intent(out) :: &
|
||||
dot_gamma_tr
|
||||
real(pReal), dimension(param(ph)%sum_N_tr), optional, intent(out) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tr), optional, intent(out) :: &
|
||||
ddot_gamma_dtau_tr
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
tau, tau_r, tau_hat, &
|
||||
dot_N_0, &
|
||||
x0, V, &
|
||||
|
@ -1019,10 +1019,10 @@ pure subroutine kinetics_tr(Mp,T,abs_dot_gamma_sl,ph,en,&
|
|||
nu = elastic_nu(ph,en,prm%isotropic_bound)
|
||||
Gamma_sf = prm%Gamma_sf%at(T)
|
||||
|
||||
tau_hat = 3.0_pReal*prm%b_tr(1)*mu/prm%L_tr &
|
||||
+ (Gamma_sf + (prm%h/prm%V_mol - 2.0_pReal*prm%rho)*prm%Delta_G%at(T))/(3.0_pReal*prm%b_tr(1))
|
||||
x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu))
|
||||
tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0)
|
||||
tau_hat = 3.0_pREAL*prm%b_tr(1)*mu/prm%L_tr &
|
||||
+ (Gamma_sf + (prm%h/prm%V_mol - 2.0_pREAL*prm%rho)*prm%Delta_G%at(T))/(3.0_pREAL*prm%b_tr(1))
|
||||
x0 = mu*prm%b_sl(1)**2*(2.0_pREAL+nu)/(Gamma_sf*8.0_pREAL*PI*(1.0_pREAL-nu))
|
||||
tau_r = mu*prm%b_sl(1)/(2.0_pREAL*PI)*(1.0_pREAL/(x0+prm%x_c)+cos(PI/3.0_pREAL)/x0)
|
||||
|
||||
do i = 1, prm%sum_N_tr
|
||||
tau = math_tensordot(Mp,prm%P_tr(1:3,1:3,i))
|
||||
|
@ -1032,18 +1032,18 @@ pure subroutine kinetics_tr(Mp,T,abs_dot_gamma_sl,ph,en,&
|
|||
dP_dTau = prm%s(i) * (tau_hat/tau)**prm%s(i)/tau * P
|
||||
|
||||
s = prm%fcc_twinNucleationSlipPair(1:2,i)
|
||||
dot_N_0 = sum(abs_dot_gamma_sl(s(2:1:-1))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tr*3.0_pReal)
|
||||
dot_N_0 = sum(abs_dot_gamma_sl(s(2:1:-1))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tr*3.0_pREAL)
|
||||
|
||||
P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
|
||||
dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal)
|
||||
P_ncs = 1.0_pREAL-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
|
||||
dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pREAL)
|
||||
|
||||
V = PI/4.0_pReal*dst%Lambda_tr(i,en)**2*prm%t_tr(i)
|
||||
V = PI/4.0_pREAL*dst%Lambda_tr(i,en)**2*prm%t_tr(i)
|
||||
dot_gamma_tr(i) = V*dot_N_0*P_ncs*P*gamma_char_tr
|
||||
if (present(ddot_gamma_dtau_tr)) &
|
||||
ddot_gamma_dtau_tr(i) = V*dot_N_0*(P*dP_ncs_dtau + P_ncs*dP_dtau)*gamma_char_tr
|
||||
else
|
||||
dot_gamma_tr(i) = 0.0_pReal
|
||||
if (present(ddot_gamma_dtau_tr)) ddot_gamma_dtau_tr(i) = 0.0_pReal
|
||||
dot_gamma_tr(i) = 0.0_pREAL
|
||||
if (present(ddot_gamma_dtau_tr)) ddot_gamma_dtau_tr(i) = 0.0_pREAL
|
||||
end if
|
||||
end do
|
||||
|
||||
|
|
|
@ -10,7 +10,7 @@
|
|||
submodule(phase:plastic) isotropic
|
||||
|
||||
type :: tParameters
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
M, & !< Taylor factor
|
||||
dot_gamma_0, & !< reference strain rate
|
||||
n, & !< stress exponent
|
||||
|
@ -30,7 +30,7 @@ submodule(phase:plastic) isotropic
|
|||
end type tParameters
|
||||
|
||||
type :: tIsotropicState
|
||||
real(pReal), pointer, dimension(:) :: &
|
||||
real(pREAL), pointer, dimension(:) :: &
|
||||
xi
|
||||
end type tIsotropicState
|
||||
|
||||
|
@ -52,7 +52,7 @@ module function plastic_isotropic_init() result(myPlasticity)
|
|||
ph, &
|
||||
Nmembers, &
|
||||
sizeState, sizeDotState
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
xi_0 !< initial critical stress
|
||||
character(len=:), allocatable :: &
|
||||
refs, &
|
||||
|
@ -103,24 +103,24 @@ module function plastic_isotropic_init() result(myPlasticity)
|
|||
prm%dot_gamma_0 = pl%get_asReal('dot_gamma_0')
|
||||
prm%n = pl%get_asReal('n')
|
||||
prm%h_0 = pl%get_asReal('h_0')
|
||||
prm%h = pl%get_asReal('h', defaultVal=3.0_pReal) ! match for fcc random polycrystal
|
||||
prm%h = pl%get_asReal('h', defaultVal=3.0_pREAL) ! match for fcc random polycrystal
|
||||
prm%M = pl%get_asReal('M')
|
||||
prm%h_ln = pl%get_asReal('h_ln', defaultVal=0.0_pReal)
|
||||
prm%c_1 = pl%get_asReal('c_1', defaultVal=0.0_pReal)
|
||||
prm%c_4 = pl%get_asReal('c_4', defaultVal=0.0_pReal)
|
||||
prm%c_3 = pl%get_asReal('c_3', defaultVal=0.0_pReal)
|
||||
prm%c_2 = pl%get_asReal('c_2', defaultVal=0.0_pReal)
|
||||
prm%h_ln = pl%get_asReal('h_ln', defaultVal=0.0_pREAL)
|
||||
prm%c_1 = pl%get_asReal('c_1', defaultVal=0.0_pREAL)
|
||||
prm%c_4 = pl%get_asReal('c_4', defaultVal=0.0_pREAL)
|
||||
prm%c_3 = pl%get_asReal('c_3', defaultVal=0.0_pREAL)
|
||||
prm%c_2 = pl%get_asReal('c_2', defaultVal=0.0_pREAL)
|
||||
prm%a = pl%get_asReal('a')
|
||||
|
||||
prm%dilatation = pl%get_asBool('dilatation',defaultVal = .false.)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! sanity checks
|
||||
if (xi_0 < 0.0_pReal) extmsg = trim(extmsg)//' xi_0'
|
||||
if (prm%dot_gamma_0 <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0'
|
||||
if (prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' n'
|
||||
if (prm%a <= 0.0_pReal) extmsg = trim(extmsg)//' a'
|
||||
if (prm%M <= 0.0_pReal) extmsg = trim(extmsg)//' M'
|
||||
if (xi_0 < 0.0_pREAL) extmsg = trim(extmsg)//' xi_0'
|
||||
if (prm%dot_gamma_0 <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_gamma_0'
|
||||
if (prm%n <= 0.0_pREAL) extmsg = trim(extmsg)//' n'
|
||||
if (prm%a <= 0.0_pREAL) extmsg = trim(extmsg)//' a'
|
||||
if (prm%M <= 0.0_pREAL) extmsg = trim(extmsg)//' M'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
|
@ -135,8 +135,8 @@ module function plastic_isotropic_init() result(myPlasticity)
|
|||
! state aliases and initialization
|
||||
stt%xi => plasticState(ph)%state(1,:)
|
||||
stt%xi = xi_0
|
||||
plasticState(ph)%atol(1) = pl%get_asReal('atol_xi',defaultVal=1.0_pReal)
|
||||
if (plasticState(ph)%atol(1) < 0.0_pReal) extmsg = trim(extmsg)//' atol_xi'
|
||||
plasticState(ph)%atol(1) = pl%get_asReal('atol_xi',defaultVal=1.0_pREAL)
|
||||
if (plasticState(ph)%atol(1) < 0.0_pREAL) extmsg = trim(extmsg)//' atol_xi'
|
||||
|
||||
end associate
|
||||
|
||||
|
@ -154,20 +154,20 @@ end function plastic_isotropic_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp !< plastic velocity gradient
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp !< derivative of Lp with respect to the Mandel stress
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
Mp_dev !< deviatoric part of the Mandel stress
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
dot_gamma, & !< strainrate
|
||||
norm_Mp_dev, & !< norm of the deviatoric part of the Mandel stress
|
||||
squarenorm_Mp_dev !< square of the norm of the deviatoric part of the Mandel stress
|
||||
|
@ -181,20 +181,20 @@ module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
|||
squarenorm_Mp_dev = math_tensordot(Mp_dev,Mp_dev)
|
||||
norm_Mp_dev = sqrt(squarenorm_Mp_dev)
|
||||
|
||||
if (norm_Mp_dev > 0.0_pReal) then
|
||||
dot_gamma = prm%dot_gamma_0 * (sqrt(1.5_pReal) * norm_Mp_dev/(prm%M*stt%xi(en)))**prm%n
|
||||
if (norm_Mp_dev > 0.0_pREAL) then
|
||||
dot_gamma = prm%dot_gamma_0 * (sqrt(1.5_pREAL) * norm_Mp_dev/(prm%M*stt%xi(en)))**prm%n
|
||||
|
||||
Lp = dot_gamma * Mp_dev/norm_Mp_dev
|
||||
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
||||
dLp_dMp(k,l,m,n) = (prm%n-1.0_pReal) * Mp_dev(k,l)*Mp_dev(m,n) / squarenorm_Mp_dev
|
||||
dLp_dMp(k,l,m,n) = (prm%n-1.0_pREAL) * Mp_dev(k,l)*Mp_dev(m,n) / squarenorm_Mp_dev
|
||||
forall (k=1:3,l=1:3) &
|
||||
dLp_dMp(k,l,k,l) = dLp_dMp(k,l,k,l) + 1.0_pReal
|
||||
dLp_dMp(k,l,k,l) = dLp_dMp(k,l,k,l) + 1.0_pREAL
|
||||
forall (k=1:3,m=1:3) &
|
||||
dLp_dMp(k,k,m,m) = dLp_dMp(k,k,m,m) - 1.0_pReal/3.0_pReal
|
||||
dLp_dMp(k,k,m,m) = dLp_dMp(k,k,m,m) - 1.0_pREAL/3.0_pREAL
|
||||
dLp_dMp = dot_gamma * dLp_dMp / norm_Mp_dev
|
||||
else
|
||||
Lp = 0.0_pReal
|
||||
dLp_dMp = 0.0_pReal
|
||||
Lp = 0.0_pREAL
|
||||
dLp_dMp = 0.0_pREAL
|
||||
end if
|
||||
|
||||
end associate
|
||||
|
@ -207,18 +207,18 @@ end subroutine isotropic_LpAndItsTangent
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,en)
|
||||
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Li !< inleastic velocity gradient
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLi_dMi !< derivative of Li with respect to Mandel stress
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mi !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
tr !< trace of spherical part of Mandel stress (= 3 x pressure)
|
||||
integer :: &
|
||||
k, l, m, n
|
||||
|
@ -228,14 +228,14 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,en)
|
|||
|
||||
tr=math_trace33(math_spherical33(Mi))
|
||||
|
||||
if (prm%dilatation .and. abs(tr) > 0.0_pReal) then ! no stress or J2 plasticity --> Li and its derivative are zero
|
||||
if (prm%dilatation .and. abs(tr) > 0.0_pREAL) then ! no stress or J2 plasticity --> Li and its derivative are zero
|
||||
Li = math_I3 &
|
||||
* prm%dot_gamma_0 * (3.0_pReal*prm%M*stt%xi(en))**(-prm%n) &
|
||||
* tr * abs(tr)**(prm%n-1.0_pReal)
|
||||
* prm%dot_gamma_0 * (3.0_pREAL*prm%M*stt%xi(en))**(-prm%n) &
|
||||
* tr * abs(tr)**(prm%n-1.0_pREAL)
|
||||
forall (k=1:3,l=1:3,m=1:3,n=1:3) dLi_dMi(k,l,m,n) = prm%n / tr * Li(k,l) * math_I3(m,n)
|
||||
else
|
||||
Li = 0.0_pReal
|
||||
dLi_dMi = 0.0_pReal
|
||||
Li = 0.0_pREAL
|
||||
dLi_dMi = 0.0_pREAL
|
||||
end if
|
||||
|
||||
end associate
|
||||
|
@ -248,15 +248,15 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,en)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function isotropic_dotState(Mp,ph,en) result(dotState)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
dot_gamma, & !< strainrate
|
||||
xi_inf_star, & !< saturation xi
|
||||
norm_Mp !< norm of the (deviatoric) Mandel stress
|
||||
|
@ -267,21 +267,21 @@ module function isotropic_dotState(Mp,ph,en) result(dotState)
|
|||
sqrt(math_tensordot(math_deviatoric33(Mp),math_deviatoric33(Mp))), &
|
||||
prm%dilatation)
|
||||
|
||||
dot_gamma = prm%dot_gamma_0 * (sqrt(1.5_pReal) * norm_Mp /(prm%M*stt%xi(en))) **prm%n
|
||||
dot_gamma = prm%dot_gamma_0 * (sqrt(1.5_pREAL) * norm_Mp /(prm%M*stt%xi(en))) **prm%n
|
||||
|
||||
if (dot_gamma > 1e-12_pReal) then
|
||||
if (dot_gamma > 1e-12_pREAL) then
|
||||
if (dEq0(prm%c_1)) then
|
||||
xi_inf_star = prm%xi_inf
|
||||
else
|
||||
xi_inf_star = prm%xi_inf &
|
||||
+ asinh( (dot_gamma / prm%c_1)**(1.0_pReal / prm%c_2))**(1.0_pReal / prm%c_3) &
|
||||
/ prm%c_4 * (dot_gamma / prm%dot_gamma_0)**(1.0_pReal / prm%n)
|
||||
+ asinh( (dot_gamma / prm%c_1)**(1.0_pREAL / prm%c_2))**(1.0_pREAL / prm%c_3) &
|
||||
/ prm%c_4 * (dot_gamma / prm%dot_gamma_0)**(1.0_pREAL / prm%n)
|
||||
end if
|
||||
dot_xi = dot_gamma &
|
||||
* ( prm%h_0 + prm%h_ln * log(dot_gamma) ) &
|
||||
* sign(abs(1.0_pReal - stt%xi(en)/xi_inf_star)**prm%a *prm%h, 1.0_pReal-stt%xi(en)/xi_inf_star)
|
||||
* sign(abs(1.0_pREAL - stt%xi(en)/xi_inf_star)**prm%a *prm%h, 1.0_pREAL-stt%xi(en)/xi_inf_star)
|
||||
else
|
||||
dot_xi = 0.0_pReal
|
||||
dot_xi = 0.0_pREAL
|
||||
end if
|
||||
|
||||
end associate
|
||||
|
|
|
@ -8,10 +8,10 @@
|
|||
submodule(phase:plastic) kinehardening
|
||||
|
||||
type :: tParameters
|
||||
real(pReal) :: &
|
||||
n = 1.0_pReal, & !< stress exponent for slip
|
||||
dot_gamma_0 = 1.0_pReal !< reference shear strain rate for slip
|
||||
real(pReal), allocatable, dimension(:) :: &
|
||||
real(pREAL) :: &
|
||||
n = 1.0_pREAL, & !< stress exponent for slip
|
||||
dot_gamma_0 = 1.0_pREAL !< reference shear strain rate for slip
|
||||
real(pREAL), allocatable, dimension(:) :: &
|
||||
h_0_xi, & !< initial hardening rate of forest stress per slip family
|
||||
!! θ_0,for
|
||||
h_0_chi, & !< initial hardening rate of back stress per slip family
|
||||
|
@ -22,9 +22,9 @@ submodule(phase:plastic) kinehardening
|
|||
!! θ_1,bs
|
||||
xi_inf, & !< back-extrapolated forest stress from terminal linear hardening
|
||||
chi_inf !< back-extrapolated back stress from terminal linear hardening
|
||||
real(pReal), allocatable, dimension(:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:) :: &
|
||||
h_sl_sl !< slip resistance change per slip activity
|
||||
real(pReal), allocatable, dimension(:,:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:,:) :: &
|
||||
P, &
|
||||
P_nS_pos, &
|
||||
P_nS_neg
|
||||
|
@ -46,7 +46,7 @@ submodule(phase:plastic) kinehardening
|
|||
end type tIndexDotState
|
||||
|
||||
type :: tKinehardeningState
|
||||
real(pReal), pointer, dimension(:,:) :: &
|
||||
real(pREAL), pointer, dimension(:,:) :: &
|
||||
xi, & !< forest stress
|
||||
!! τ_for
|
||||
chi, & !< back stress
|
||||
|
@ -82,7 +82,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
|||
startIndex, endIndex
|
||||
integer, dimension(:), allocatable :: &
|
||||
N_sl
|
||||
real(pReal), dimension(:), allocatable :: &
|
||||
real(pREAL), dimension(:), allocatable :: &
|
||||
xi_0, & !< initial forest stress
|
||||
!! τ_for,0
|
||||
a !< non-Schmid coefficients
|
||||
|
@ -175,11 +175,11 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! sanity checks
|
||||
if ( prm%dot_gamma_0 <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0'
|
||||
if ( prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' n'
|
||||
if (any(xi_0 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_0'
|
||||
if (any(prm%xi_inf <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf'
|
||||
if (any(prm%chi_inf <= 0.0_pReal)) extmsg = trim(extmsg)//' chi_inf'
|
||||
if ( prm%dot_gamma_0 <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_gamma_0'
|
||||
if ( prm%n <= 0.0_pREAL) extmsg = trim(extmsg)//' n'
|
||||
if (any(xi_0 <= 0.0_pREAL)) extmsg = trim(extmsg)//' xi_0'
|
||||
if (any(prm%xi_inf <= 0.0_pREAL)) extmsg = trim(extmsg)//' xi_inf'
|
||||
if (any(prm%chi_inf <= 0.0_pREAL)) extmsg = trim(extmsg)//' chi_inf'
|
||||
|
||||
else slipActive
|
||||
xi_0 = emptyRealArray
|
||||
|
@ -208,21 +208,21 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
|||
idx_dot%xi = [startIndex,endIndex]
|
||||
stt%xi => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%xi = spread(xi_0, 2, Nmembers)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_xi'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
idx_dot%chi = [startIndex,endIndex]
|
||||
stt%chi => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pReal)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pREAL)
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
idx_dot%gamma = [startIndex,endIndex]
|
||||
stt%gamma => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
|
||||
o = plasticState(ph)%offsetDeltaState
|
||||
startIndex = endIndex + 1
|
||||
|
@ -257,12 +257,12 @@ end function plastic_kinehardening_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp !< plastic velocity gradient
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp !< derivative of Lp with respect to the Mandel stress
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -270,12 +270,12 @@ pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
|||
|
||||
integer :: &
|
||||
i,k,l,m,n
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_pos,dot_gamma_neg, &
|
||||
ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
|
||||
|
||||
Lp = 0.0_pReal
|
||||
dLp_dMp = 0.0_pReal
|
||||
Lp = 0.0_pREAL
|
||||
dLp_dMp = 0.0_pREAL
|
||||
|
||||
associate(prm => param(ph))
|
||||
|
||||
|
@ -299,17 +299,17 @@ end subroutine kinehardening_LpAndItsTangent
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function plastic_kinehardening_dotState(Mp,ph,en) result(dotState)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
sumGamma
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_pos,dot_gamma_neg
|
||||
|
||||
|
||||
|
@ -326,14 +326,14 @@ module function plastic_kinehardening_dotState(Mp,ph,en) result(dotState)
|
|||
dot_xi = matmul(prm%h_sl_sl,dot_gamma) &
|
||||
* ( prm%h_inf_xi &
|
||||
+ ( prm%h_0_xi &
|
||||
- prm%h_inf_xi * (1_pReal -sumGamma*prm%h_0_xi/prm%xi_inf) ) &
|
||||
- prm%h_inf_xi * (1_pREAL -sumGamma*prm%h_0_xi/prm%xi_inf) ) &
|
||||
* exp(-sumGamma*prm%h_0_xi/prm%xi_inf) &
|
||||
)
|
||||
|
||||
dot_chi = stt%sgn_gamma(:,en)*dot_gamma &
|
||||
* ( prm%h_inf_chi &
|
||||
+ ( prm%h_0_chi &
|
||||
- prm%h_inf_chi*(1_pReal -(stt%gamma(:,en)-stt%gamma_flip(:,en))*prm%h_0_chi/(prm%chi_inf+stt%chi_flip(:,en))) ) &
|
||||
- prm%h_inf_chi*(1_pREAL -(stt%gamma(:,en)-stt%gamma_flip(:,en))*prm%h_0_chi/(prm%chi_inf+stt%chi_flip(:,en))) ) &
|
||||
* exp(-(stt%gamma(:,en)-stt%gamma_flip(:,en))*prm%h_0_chi/(prm%chi_inf+stt%chi_flip(:,en))) &
|
||||
)
|
||||
|
||||
|
@ -347,13 +347,13 @@ end function plastic_kinehardening_dotState
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine plastic_kinehardening_deltaState(Mp,ph,en)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_pos,dot_gamma_neg, &
|
||||
sgn_gamma
|
||||
|
||||
|
@ -362,17 +362,17 @@ module subroutine plastic_kinehardening_deltaState(Mp,ph,en)
|
|||
|
||||
call kinetics(Mp,ph,en, dot_gamma_pos,dot_gamma_neg)
|
||||
sgn_gamma = merge(state(ph)%sgn_gamma(:,en), &
|
||||
sign(1.0_pReal,dot_gamma_pos+dot_gamma_neg), &
|
||||
dEq0(dot_gamma_pos+dot_gamma_neg,1e-10_pReal))
|
||||
sign(1.0_pREAL,dot_gamma_pos+dot_gamma_neg), &
|
||||
dEq0(dot_gamma_pos+dot_gamma_neg,1e-10_pREAL))
|
||||
|
||||
where(dNeq(sgn_gamma,stt%sgn_gamma(:,en),0.1_pReal)) ! ToDo sgn_gamma*stt%sgn_gamma(:,en)<0
|
||||
where(dNeq(sgn_gamma,stt%sgn_gamma(:,en),0.1_pREAL)) ! ToDo sgn_gamma*stt%sgn_gamma(:,en)<0
|
||||
dlt%sgn_gamma (:,en) = sgn_gamma - stt%sgn_gamma (:,en)
|
||||
dlt%chi_flip (:,en) = abs(stt%chi (:,en)) - stt%chi_flip (:,en)
|
||||
dlt%gamma_flip(:,en) = stt%gamma(:,en) - stt%gamma_flip(:,en)
|
||||
else where
|
||||
dlt%sgn_gamma (:,en) = 0.0_pReal
|
||||
dlt%chi_flip (:,en) = 0.0_pReal
|
||||
dlt%gamma_flip(:,en) = 0.0_pReal
|
||||
dlt%sgn_gamma (:,en) = 0.0_pREAL
|
||||
dlt%chi_flip (:,en) = 0.0_pREAL
|
||||
dlt%gamma_flip(:,en) = 0.0_pREAL
|
||||
end where
|
||||
|
||||
end associate
|
||||
|
@ -434,20 +434,20 @@ end subroutine plastic_kinehardening_result
|
|||
pure subroutine kinetics(Mp,ph,en, &
|
||||
dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
||||
real(pReal), intent(out), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), intent(out), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_pos, &
|
||||
dot_gamma_neg
|
||||
real(pReal), intent(out), dimension(param(ph)%sum_N_sl), optional :: &
|
||||
real(pREAL), intent(out), dimension(param(ph)%sum_N_sl), optional :: &
|
||||
ddot_gamma_dtau_pos, &
|
||||
ddot_gamma_dtau_neg
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
tau_pos, &
|
||||
tau_neg
|
||||
integer :: i
|
||||
|
@ -458,35 +458,35 @@ pure subroutine kinetics(Mp,ph,en, &
|
|||
do i = 1, prm%sum_N_sl
|
||||
tau_pos(i) = math_tensordot(Mp,prm%P_nS_pos(1:3,1:3,i)) - stt%chi(i,en)
|
||||
tau_neg(i) = merge(math_tensordot(Mp,prm%P_nS_neg(1:3,1:3,i)) - stt%chi(i,en), &
|
||||
0.0_pReal, prm%nonSchmidActive)
|
||||
0.0_pREAL, prm%nonSchmidActive)
|
||||
end do
|
||||
|
||||
where(dNeq0(tau_pos))
|
||||
dot_gamma_pos = prm%dot_gamma_0 * merge(0.5_pReal,1.0_pReal, prm%nonSchmidActive) & ! 1/2 if non-Schmid active
|
||||
dot_gamma_pos = prm%dot_gamma_0 * merge(0.5_pREAL,1.0_pREAL, prm%nonSchmidActive) & ! 1/2 if non-Schmid active
|
||||
* sign(abs(tau_pos/stt%xi(:,en))**prm%n, tau_pos)
|
||||
else where
|
||||
dot_gamma_pos = 0.0_pReal
|
||||
dot_gamma_pos = 0.0_pREAL
|
||||
end where
|
||||
|
||||
where(dNeq0(tau_neg))
|
||||
dot_gamma_neg = prm%dot_gamma_0 * 0.5_pReal & ! only used if non-Schmid active, always 1/2
|
||||
dot_gamma_neg = prm%dot_gamma_0 * 0.5_pREAL & ! only used if non-Schmid active, always 1/2
|
||||
* sign(abs(tau_neg/stt%xi(:,en))**prm%n, tau_neg)
|
||||
else where
|
||||
dot_gamma_neg = 0.0_pReal
|
||||
dot_gamma_neg = 0.0_pREAL
|
||||
end where
|
||||
|
||||
if (present(ddot_gamma_dtau_pos)) then
|
||||
where(dNeq0(dot_gamma_pos))
|
||||
ddot_gamma_dtau_pos = dot_gamma_pos*prm%n/tau_pos
|
||||
else where
|
||||
ddot_gamma_dtau_pos = 0.0_pReal
|
||||
ddot_gamma_dtau_pos = 0.0_pREAL
|
||||
end where
|
||||
end if
|
||||
if (present(ddot_gamma_dtau_neg)) then
|
||||
where(dNeq0(dot_gamma_neg))
|
||||
ddot_gamma_dtau_neg = dot_gamma_neg*prm%n/tau_neg
|
||||
else where
|
||||
ddot_gamma_dtau_neg = 0.0_pReal
|
||||
ddot_gamma_dtau_neg = 0.0_pREAL
|
||||
end where
|
||||
end if
|
||||
|
||||
|
|
File diff suppressed because it is too large
Load Diff
|
@ -7,30 +7,30 @@
|
|||
submodule(phase:plastic) phenopowerlaw
|
||||
|
||||
type :: tParameters
|
||||
real(pReal) :: &
|
||||
dot_gamma_0_sl = 1.0_pReal, & !< reference shear strain rate for slip
|
||||
dot_gamma_0_tw = 1.0_pReal, & !< reference shear strain rate for twin
|
||||
n_sl = 1.0_pReal, & !< stress exponent for slip
|
||||
n_tw = 1.0_pReal, & !< stress exponent for twin
|
||||
f_sat_sl_tw = 1.0_pReal, & !< push-up factor for slip saturation due to twinning
|
||||
c_1 = 1.0_pReal, &
|
||||
c_2 = 1.0_pReal, &
|
||||
c_3 = 1.0_pReal, &
|
||||
c_4 = 1.0_pReal, &
|
||||
h_0_sl_sl = 1.0_pReal, & !< reference hardening slip - slip
|
||||
h_0_tw_sl = 1.0_pReal, & !< reference hardening twin - slip
|
||||
h_0_tw_tw = 1.0_pReal, & !< reference hardening twin - twin
|
||||
a_sl = 1.0_pReal
|
||||
real(pReal), allocatable, dimension(:) :: &
|
||||
real(pREAL) :: &
|
||||
dot_gamma_0_sl = 1.0_pREAL, & !< reference shear strain rate for slip
|
||||
dot_gamma_0_tw = 1.0_pREAL, & !< reference shear strain rate for twin
|
||||
n_sl = 1.0_pREAL, & !< stress exponent for slip
|
||||
n_tw = 1.0_pREAL, & !< stress exponent for twin
|
||||
f_sat_sl_tw = 1.0_pREAL, & !< push-up factor for slip saturation due to twinning
|
||||
c_1 = 1.0_pREAL, &
|
||||
c_2 = 1.0_pREAL, &
|
||||
c_3 = 1.0_pREAL, &
|
||||
c_4 = 1.0_pREAL, &
|
||||
h_0_sl_sl = 1.0_pREAL, & !< reference hardening slip - slip
|
||||
h_0_tw_sl = 1.0_pREAL, & !< reference hardening twin - slip
|
||||
h_0_tw_tw = 1.0_pREAL, & !< reference hardening twin - twin
|
||||
a_sl = 1.0_pREAL
|
||||
real(pREAL), allocatable, dimension(:) :: &
|
||||
xi_inf_sl, & !< maximum critical shear stress for slip
|
||||
h_int, & !< per family hardening activity (optional)
|
||||
gamma_char !< characteristic shear for twins
|
||||
real(pReal), allocatable, dimension(:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:) :: &
|
||||
h_sl_sl, & !< slip resistance from slip activity
|
||||
h_sl_tw, & !< slip resistance from twin activity
|
||||
h_tw_sl, & !< twin resistance from slip activity
|
||||
h_tw_tw !< twin resistance from twin activity
|
||||
real(pReal), allocatable, dimension(:,:,:) :: &
|
||||
real(pREAL), allocatable, dimension(:,:,:) :: &
|
||||
P_sl, &
|
||||
P_tw, &
|
||||
P_nS_pos, &
|
||||
|
@ -56,7 +56,7 @@ submodule(phase:plastic) phenopowerlaw
|
|||
end type tIndexDotState
|
||||
|
||||
type :: tPhenopowerlawState
|
||||
real(pReal), pointer, dimension(:,:) :: &
|
||||
real(pREAL), pointer, dimension(:,:) :: &
|
||||
xi_sl, &
|
||||
xi_tw, &
|
||||
gamma_sl, &
|
||||
|
@ -87,7 +87,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
integer, dimension(:), allocatable :: &
|
||||
N_sl, & !< number of slip-systems for a given slip family
|
||||
N_tw !< number of twin-systems for a given twin family
|
||||
real(pReal), dimension(:), allocatable :: &
|
||||
real(pREAL), dimension(:), allocatable :: &
|
||||
xi_0_sl, & !< initial critical shear stress for slip
|
||||
xi_0_tw, & !< initial critical shear stress for twin
|
||||
a !< non-Schmid coefficients
|
||||
|
@ -156,7 +156,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
xi_0_sl = pl%get_as1dReal('xi_0_sl', requiredSize=size(N_sl))
|
||||
prm%xi_inf_sl = pl%get_as1dReal('xi_inf_sl', requiredSize=size(N_sl))
|
||||
prm%h_int = pl%get_as1dReal('h_int', requiredSize=size(N_sl), &
|
||||
defaultVal=[(0.0_pReal,i=1,size(N_sl))])
|
||||
defaultVal=[(0.0_pREAL,i=1,size(N_sl))])
|
||||
|
||||
prm%dot_gamma_0_sl = pl%get_asReal('dot_gamma_0_sl')
|
||||
prm%n_sl = pl%get_asReal('n_sl')
|
||||
|
@ -169,11 +169,11 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
prm%h_int = math_expand(prm%h_int, N_sl)
|
||||
|
||||
! sanity checks
|
||||
if ( prm%dot_gamma_0_sl <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0_sl'
|
||||
if ( prm%a_sl <= 0.0_pReal) extmsg = trim(extmsg)//' a_sl'
|
||||
if ( prm%n_sl <= 0.0_pReal) extmsg = trim(extmsg)//' n_sl'
|
||||
if (any(xi_0_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_0_sl'
|
||||
if (any(prm%xi_inf_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_sl'
|
||||
if ( prm%dot_gamma_0_sl <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_gamma_0_sl'
|
||||
if ( prm%a_sl <= 0.0_pREAL) extmsg = trim(extmsg)//' a_sl'
|
||||
if ( prm%n_sl <= 0.0_pREAL) extmsg = trim(extmsg)//' n_sl'
|
||||
if (any(xi_0_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' xi_0_sl'
|
||||
if (any(prm%xi_inf_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' xi_inf_sl'
|
||||
|
||||
else slipActive
|
||||
xi_0_sl = emptyRealArray
|
||||
|
@ -193,10 +193,10 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
|
||||
xi_0_tw = pl%get_as1dReal('xi_0_tw',requiredSize=size(N_tw))
|
||||
|
||||
prm%c_1 = pl%get_asReal('c_1',defaultVal=0.0_pReal)
|
||||
prm%c_2 = pl%get_asReal('c_2',defaultVal=1.0_pReal)
|
||||
prm%c_3 = pl%get_asReal('c_3',defaultVal=0.0_pReal)
|
||||
prm%c_4 = pl%get_asReal('c_4',defaultVal=0.0_pReal)
|
||||
prm%c_1 = pl%get_asReal('c_1',defaultVal=0.0_pREAL)
|
||||
prm%c_2 = pl%get_asReal('c_2',defaultVal=1.0_pREAL)
|
||||
prm%c_3 = pl%get_asReal('c_3',defaultVal=0.0_pREAL)
|
||||
prm%c_4 = pl%get_asReal('c_4',defaultVal=0.0_pREAL)
|
||||
prm%dot_gamma_0_tw = pl%get_asReal('dot_gamma_0_tw')
|
||||
prm%n_tw = pl%get_asReal('n_tw')
|
||||
prm%f_sat_sl_tw = pl%get_asReal('f_sat_sl-tw')
|
||||
|
@ -206,8 +206,8 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
xi_0_tw = math_expand(xi_0_tw,N_tw)
|
||||
|
||||
! sanity checks
|
||||
if (prm%dot_gamma_0_tw <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0_tw'
|
||||
if (prm%n_tw <= 0.0_pReal) extmsg = trim(extmsg)//' n_tw'
|
||||
if (prm%dot_gamma_0_tw <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_gamma_0_tw'
|
||||
if (prm%n_tw <= 0.0_pREAL) extmsg = trim(extmsg)//' n_tw'
|
||||
|
||||
else twinActive
|
||||
xi_0_tw = emptyRealArray
|
||||
|
@ -226,7 +226,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
else slipAndTwinActive
|
||||
allocate(prm%h_sl_tw(prm%sum_N_sl,prm%sum_N_tw)) ! at least one dimension is 0
|
||||
allocate(prm%h_tw_sl(prm%sum_N_tw,prm%sum_N_sl)) ! at least one dimension is 0
|
||||
prm%h_0_tw_sl = 0.0_pReal
|
||||
prm%h_0_tw_sl = 0.0_pREAL
|
||||
end if slipAndTwinActive
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -246,28 +246,28 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
idx_dot%xi_sl = [startIndex,endIndex]
|
||||
stt%xi_sl => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%xi_sl = spread(xi_0_sl, 2, Nmembers)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_xi'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_tw
|
||||
idx_dot%xi_tw = [startIndex,endIndex]
|
||||
stt%xi_tw => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%xi_tw = spread(xi_0_tw, 2, Nmembers)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pReal)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pREAL)
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
idx_dot%gamma_sl = [startIndex,endIndex]
|
||||
stt%gamma_sl => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pREAL)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_tw
|
||||
idx_dot%gamma_tw = [startIndex,endIndex]
|
||||
stt%gamma_tw => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pReal)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pREAL)
|
||||
|
||||
end associate
|
||||
|
||||
|
@ -287,12 +287,12 @@ end function plastic_phenopowerlaw_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
||||
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3), intent(out) :: &
|
||||
Lp !< plastic velocity gradient
|
||||
real(pReal), dimension(3,3,3,3), intent(out) :: &
|
||||
real(pREAL), dimension(3,3,3,3), intent(out) :: &
|
||||
dLp_dMp !< derivative of Lp with respect to the Mandel stress
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
|
@ -300,14 +300,14 @@ pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
|||
|
||||
integer :: &
|
||||
i,k,l,m,n
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_sl_pos,dot_gamma_sl_neg, &
|
||||
ddot_gamma_dtau_sl_pos,ddot_gamma_dtau_sl_neg
|
||||
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tw) :: &
|
||||
dot_gamma_tw,ddot_gamma_dtau_tw
|
||||
|
||||
Lp = 0.0_pReal
|
||||
dLp_dMp = 0.0_pReal
|
||||
Lp = 0.0_pREAL
|
||||
dLp_dMp = 0.0_pREAL
|
||||
|
||||
associate(prm => param(ph))
|
||||
|
||||
|
@ -338,18 +338,18 @@ end subroutine phenopowerlaw_LpAndItsTangent
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module function phenopowerlaw_dotState(Mp,ph,en) result(dotState)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
|
||||
dotState
|
||||
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
xi_sl_sat_offset,&
|
||||
sumF
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_sl_pos,dot_gamma_sl_neg, &
|
||||
left_SlipSlip
|
||||
|
||||
|
@ -365,10 +365,10 @@ module function phenopowerlaw_dotState(Mp,ph,en) result(dotState)
|
|||
sumF = sum(stt%gamma_tw(:,en)/prm%gamma_char)
|
||||
|
||||
xi_sl_sat_offset = prm%f_sat_sl_tw*sqrt(sumF)
|
||||
left_SlipSlip = sign(abs(1.0_pReal-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))**prm%a_sl, &
|
||||
1.0_pReal-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))
|
||||
left_SlipSlip = sign(abs(1.0_pREAL-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))**prm%a_sl, &
|
||||
1.0_pREAL-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))
|
||||
|
||||
dot_xi_sl = prm%h_0_sl_sl * (1.0_pReal + prm%c_1 * sumF**prm%c_2) * (1.0_pReal + prm%h_int) &
|
||||
dot_xi_sl = prm%h_0_sl_sl * (1.0_pREAL + prm%c_1 * sumF**prm%c_2) * (1.0_pREAL + prm%h_int) &
|
||||
* left_SlipSlip * matmul(prm%h_sl_sl,dot_gamma_sl) &
|
||||
+ matmul(prm%h_sl_tw,dot_gamma_tw)
|
||||
|
||||
|
@ -431,20 +431,20 @@ end subroutine plastic_phenopowerlaw_result
|
|||
pure subroutine kinetics_sl(Mp,ph,en, &
|
||||
dot_gamma_sl_pos,dot_gamma_sl_neg,ddot_gamma_dtau_sl_pos,ddot_gamma_dtau_sl_neg)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
||||
real(pReal), intent(out), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), intent(out), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_sl_pos, &
|
||||
dot_gamma_sl_neg
|
||||
real(pReal), intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
|
||||
ddot_gamma_dtau_sl_pos, &
|
||||
ddot_gamma_dtau_sl_neg
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
|
||||
tau_sl_pos, &
|
||||
tau_sl_neg
|
||||
integer :: i
|
||||
|
@ -454,35 +454,35 @@ pure subroutine kinetics_sl(Mp,ph,en, &
|
|||
do i = 1, prm%sum_N_sl
|
||||
tau_sl_pos(i) = math_tensordot(Mp,prm%P_nS_pos(1:3,1:3,i))
|
||||
tau_sl_neg(i) = merge(math_tensordot(Mp,prm%P_nS_neg(1:3,1:3,i)), &
|
||||
0.0_pReal, prm%nonSchmidActive)
|
||||
0.0_pREAL, prm%nonSchmidActive)
|
||||
end do
|
||||
|
||||
where(dNeq0(tau_sl_pos))
|
||||
dot_gamma_sl_pos = prm%dot_gamma_0_sl * merge(0.5_pReal,1.0_pReal, prm%nonSchmidActive) & ! 1/2 if non-Schmid active
|
||||
dot_gamma_sl_pos = prm%dot_gamma_0_sl * merge(0.5_pREAL,1.0_pREAL, prm%nonSchmidActive) & ! 1/2 if non-Schmid active
|
||||
* sign(abs(tau_sl_pos/stt%xi_sl(:,en))**prm%n_sl, tau_sl_pos)
|
||||
else where
|
||||
dot_gamma_sl_pos = 0.0_pReal
|
||||
dot_gamma_sl_pos = 0.0_pREAL
|
||||
end where
|
||||
|
||||
where(dNeq0(tau_sl_neg))
|
||||
dot_gamma_sl_neg = prm%dot_gamma_0_sl * 0.5_pReal & ! only used if non-Schmid active, always 1/2
|
||||
dot_gamma_sl_neg = prm%dot_gamma_0_sl * 0.5_pREAL & ! only used if non-Schmid active, always 1/2
|
||||
* sign(abs(tau_sl_neg/stt%xi_sl(:,en))**prm%n_sl, tau_sl_neg)
|
||||
else where
|
||||
dot_gamma_sl_neg = 0.0_pReal
|
||||
dot_gamma_sl_neg = 0.0_pREAL
|
||||
end where
|
||||
|
||||
if (present(ddot_gamma_dtau_sl_pos)) then
|
||||
where(dNeq0(dot_gamma_sl_pos))
|
||||
ddot_gamma_dtau_sl_pos = dot_gamma_sl_pos*prm%n_sl/tau_sl_pos
|
||||
else where
|
||||
ddot_gamma_dtau_sl_pos = 0.0_pReal
|
||||
ddot_gamma_dtau_sl_pos = 0.0_pREAL
|
||||
end where
|
||||
end if
|
||||
if (present(ddot_gamma_dtau_sl_neg)) then
|
||||
where(dNeq0(dot_gamma_sl_neg))
|
||||
ddot_gamma_dtau_sl_neg = dot_gamma_sl_neg*prm%n_sl/tau_sl_neg
|
||||
else where
|
||||
ddot_gamma_dtau_sl_neg = 0.0_pReal
|
||||
ddot_gamma_dtau_sl_neg = 0.0_pREAL
|
||||
end where
|
||||
end if
|
||||
|
||||
|
@ -501,18 +501,18 @@ end subroutine kinetics_sl
|
|||
pure subroutine kinetics_tw(Mp,ph,en,&
|
||||
dot_gamma_tw,ddot_gamma_dtau_tw)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
real(pREAL), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tw), intent(out) :: &
|
||||
dot_gamma_tw
|
||||
real(pReal), dimension(param(ph)%sum_N_tw), intent(out), optional :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tw), intent(out), optional :: &
|
||||
ddot_gamma_dtau_tw
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
||||
real(pREAL), dimension(param(ph)%sum_N_tw) :: &
|
||||
tau_tw
|
||||
integer :: i
|
||||
|
||||
|
@ -521,18 +521,18 @@ pure subroutine kinetics_tw(Mp,ph,en,&
|
|||
|
||||
tau_tw = [(math_tensordot(Mp,prm%P_tw(1:3,1:3,i)),i=1,prm%sum_N_tw)]
|
||||
|
||||
where(tau_tw > 0.0_pReal)
|
||||
dot_gamma_tw = (1.0_pReal-sum(stt%gamma_tw(:,en)/prm%gamma_char)) & ! only twin in untwinned volume fraction
|
||||
where(tau_tw > 0.0_pREAL)
|
||||
dot_gamma_tw = (1.0_pREAL-sum(stt%gamma_tw(:,en)/prm%gamma_char)) & ! only twin in untwinned volume fraction
|
||||
* prm%dot_gamma_0_tw*(abs(tau_tw)/stt%xi_tw(:,en))**prm%n_tw
|
||||
else where
|
||||
dot_gamma_tw = 0.0_pReal
|
||||
dot_gamma_tw = 0.0_pREAL
|
||||
end where
|
||||
|
||||
if (present(ddot_gamma_dtau_tw)) then
|
||||
where(dNeq0(dot_gamma_tw))
|
||||
ddot_gamma_dtau_tw = dot_gamma_tw*prm%n_tw/tau_tw
|
||||
else where
|
||||
ddot_gamma_dtau_tw = 0.0_pReal
|
||||
ddot_gamma_dtau_tw = 0.0_pREAL
|
||||
end where
|
||||
end if
|
||||
|
||||
|
|
|
@ -4,8 +4,8 @@
|
|||
submodule(phase) thermal
|
||||
|
||||
type :: tThermalParameters
|
||||
real(pReal) :: C_p = 0.0_pReal !< heat capacity
|
||||
real(pReal), dimension(3,3) :: K = 0.0_pReal !< thermal conductivity
|
||||
real(pREAL) :: C_p = 0.0_pREAL !< heat capacity
|
||||
real(pREAL), dimension(3,3) :: K = 0.0_pREAL !< thermal conductivity
|
||||
character(len=pSTRLEN), allocatable, dimension(:) :: output
|
||||
end type tThermalParameters
|
||||
|
||||
|
@ -22,7 +22,7 @@ submodule(phase) thermal
|
|||
end enum
|
||||
|
||||
type :: tDataContainer ! ?? not very telling name. Better: "fieldQuantities" ??
|
||||
real(pReal), dimension(:), allocatable :: T, dot_T
|
||||
real(pREAL), dimension(:), allocatable :: T, dot_T
|
||||
end type tDataContainer
|
||||
integer(kind(THERMAL_UNDEFINED_ID)), dimension(:,:), allocatable :: &
|
||||
thermal_source
|
||||
|
@ -57,14 +57,14 @@ submodule(phase) thermal
|
|||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal) :: f_T
|
||||
real(pREAL) :: f_T
|
||||
end function dissipation_f_T
|
||||
|
||||
module function externalheat_f_T(ph,en) result(f_T)
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal) :: f_T
|
||||
real(pREAL) :: f_T
|
||||
end function externalheat_f_T
|
||||
|
||||
end interface
|
||||
|
@ -100,7 +100,7 @@ module subroutine thermal_init(phases)
|
|||
do ph = 1, phases%length
|
||||
Nmembers = count(material_ID_phase == ph)
|
||||
allocate(current(ph)%T(Nmembers),source=T_ROOM)
|
||||
allocate(current(ph)%dot_T(Nmembers),source=0.0_pReal)
|
||||
allocate(current(ph)%dot_T(Nmembers),source=0.0_pREAL)
|
||||
phase => phases%get_dict(ph)
|
||||
thermal => phase%get_dict('thermal',defaultVal=emptyDict)
|
||||
|
||||
|
@ -156,13 +156,13 @@ end subroutine thermal_init
|
|||
module function phase_f_T(ph,en) result(f)
|
||||
|
||||
integer, intent(in) :: ph, en
|
||||
real(pReal) :: f
|
||||
real(pREAL) :: f
|
||||
|
||||
|
||||
integer :: so
|
||||
|
||||
|
||||
f = 0.0_pReal
|
||||
f = 0.0_pREAL
|
||||
|
||||
do so = 1, thermal_Nsources(ph)
|
||||
select case(thermal_source(so,ph))
|
||||
|
@ -211,7 +211,7 @@ end function phase_thermal_collectDotState
|
|||
module function phase_mu_T(co,ce) result(mu)
|
||||
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal) :: mu
|
||||
real(pREAL) :: mu
|
||||
|
||||
|
||||
mu = phase_rho(material_ID_phase(co,ce)) &
|
||||
|
@ -226,7 +226,7 @@ end function phase_mu_T
|
|||
module function phase_K_T(co,ce) result(K)
|
||||
|
||||
integer, intent(in) :: co, ce
|
||||
real(pReal), dimension(3,3) :: K
|
||||
real(pREAL), dimension(3,3) :: K
|
||||
|
||||
|
||||
K = crystallite_push33ToRef(co,ce,param(material_ID_phase(co,ce))%K)
|
||||
|
@ -236,7 +236,7 @@ end function phase_K_T
|
|||
|
||||
module function phase_thermal_constitutive(Delta_t,ph,en) result(converged_)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: ph, en
|
||||
logical :: converged_
|
||||
|
||||
|
@ -251,7 +251,7 @@ end function phase_thermal_constitutive
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function integrateThermalState(Delta_t, ph,en) result(broken)
|
||||
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
real(pREAL), intent(in) :: Delta_t
|
||||
integer, intent(in) :: ph, en
|
||||
logical :: &
|
||||
broken
|
||||
|
@ -323,7 +323,7 @@ end subroutine thermal_forward
|
|||
pure module function thermal_T(ph,en) result(T)
|
||||
|
||||
integer, intent(in) :: ph, en
|
||||
real(pReal) :: T
|
||||
real(pREAL) :: T
|
||||
|
||||
|
||||
T = current(ph)%T(en)
|
||||
|
@ -337,7 +337,7 @@ end function thermal_T
|
|||
module function thermal_dot_T(ph,en) result(dot_T)
|
||||
|
||||
integer, intent(in) :: ph, en
|
||||
real(pReal) :: dot_T
|
||||
real(pREAL) :: dot_T
|
||||
|
||||
|
||||
dot_T = current(ph)%dot_T(en)
|
||||
|
@ -350,7 +350,7 @@ end function thermal_dot_T
|
|||
!----------------------------------------------------------------------------------------------
|
||||
module subroutine phase_thermal_setField(T,dot_T, co,ce)
|
||||
|
||||
real(pReal), intent(in) :: T, dot_T
|
||||
real(pREAL), intent(in) :: T, dot_T
|
||||
integer, intent(in) :: ce, co
|
||||
|
||||
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
submodule(phase:thermal) dissipation
|
||||
|
||||
type :: tParameters !< container type for internal constitutive parameters
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
kappa !< TAYLOR-QUINNEY factor
|
||||
end type tParameters
|
||||
|
||||
|
@ -80,9 +80,9 @@ end function dissipation_init
|
|||
module function dissipation_f_T(ph,en) result(f_T)
|
||||
|
||||
integer, intent(in) :: ph, en
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
f_T
|
||||
real(pReal), dimension(3,3) :: &
|
||||
real(pREAL), dimension(3,3) :: &
|
||||
Mp !< Mandel stress work conjugate with Lp
|
||||
|
||||
Mp = matmul(matmul(transpose(mechanical_F_i(ph,en)),mechanical_F_i(ph,en)),mechanical_S(ph,en))
|
||||
|
|
|
@ -92,7 +92,7 @@ module subroutine externalheat_dotState(ph, en)
|
|||
|
||||
so = source_thermal_externalheat_offset(ph)
|
||||
|
||||
thermalState(ph)%p(so)%dotState(1,en) = 1.0_pReal ! state is current time
|
||||
thermalState(ph)%p(so)%dotState(1,en) = 1.0_pREAL ! state is current time
|
||||
|
||||
end subroutine externalheat_dotState
|
||||
|
||||
|
@ -105,7 +105,7 @@ module function externalheat_f_T(ph,en) result(f_T)
|
|||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
real(pReal) :: &
|
||||
real(pREAL) :: &
|
||||
f_T
|
||||
|
||||
integer :: &
|
||||
|
|
|
@ -12,8 +12,8 @@ module polynomials
|
|||
private
|
||||
|
||||
type, public :: tPolynomial
|
||||
real(pReal), dimension(:), allocatable :: coef
|
||||
real(pReal) :: x_ref = huge(0.0_pReal)
|
||||
real(pREAL), dimension(:), allocatable :: coef
|
||||
real(pREAL) :: x_ref = huge(0.0_pREAL)
|
||||
contains
|
||||
procedure, public :: at => eval
|
||||
end type tPolynomial
|
||||
|
@ -47,8 +47,8 @@ end subroutine polynomials_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function polynomial_from_coef(coef,x_ref) result(p)
|
||||
|
||||
real(pReal), dimension(0:), intent(in) :: coef
|
||||
real(pReal), intent(in) :: x_ref
|
||||
real(pREAL), dimension(0:), intent(in) :: coef
|
||||
real(pREAL), intent(in) :: x_ref
|
||||
type(tPolynomial) :: p
|
||||
|
||||
|
||||
|
@ -67,8 +67,8 @@ function polynomial_from_dict(dict,y,x) result(p)
|
|||
character(len=*), intent(in) :: y, x
|
||||
type(tPolynomial) :: p
|
||||
|
||||
real(pReal), dimension(:), allocatable :: coef
|
||||
real(pReal) :: x_ref
|
||||
real(pREAL), dimension(:), allocatable :: coef
|
||||
real(pREAL) :: x_ref
|
||||
integer :: i, o
|
||||
character(len=1) :: o_s
|
||||
|
||||
|
@ -83,7 +83,7 @@ function polynomial_from_dict(dict,y,x) result(p)
|
|||
write(o_s,'(I0.0)') o
|
||||
if (dict%contains(y//','//x//'^'//o_s)) then
|
||||
x_ref = dict%get_asReal(x//'_ref')
|
||||
coef = [coef,[(0.0_pReal,i=size(coef),o-1)],dict%get_asReal(y//','//x//'^'//o_s)]
|
||||
coef = [coef,[(0.0_pREAL,i=size(coef),o-1)],dict%get_asReal(y//','//x//'^'//o_s)]
|
||||
end if
|
||||
end do
|
||||
|
||||
|
@ -99,8 +99,8 @@ end function polynomial_from_dict
|
|||
pure function eval(self,x) result(y)
|
||||
|
||||
class(tPolynomial), intent(in) :: self
|
||||
real(pReal), intent(in) :: x
|
||||
real(pReal) :: y
|
||||
real(pREAL), intent(in) :: x
|
||||
real(pREAL) :: y
|
||||
|
||||
integer :: o
|
||||
|
||||
|
@ -123,9 +123,9 @@ end function eval
|
|||
subroutine selfTest()
|
||||
|
||||
type(tPolynomial) :: p1, p2
|
||||
real(pReal), dimension(5) :: coef
|
||||
real(pREAL), dimension(5) :: coef
|
||||
integer :: i
|
||||
real(pReal) :: x_ref, x, y
|
||||
real(pREAL) :: x_ref, x, y
|
||||
type(tDict), pointer :: dict
|
||||
character(len=pSTRLEN), dimension(size(coef)) :: coef_s
|
||||
character(len=pSTRLEN) :: x_ref_s, x_s, YAML_s
|
||||
|
@ -135,9 +135,9 @@ subroutine selfTest()
|
|||
call random_number(x_ref)
|
||||
call random_number(x)
|
||||
|
||||
coef = coef*10_pReal -0.5_pReal
|
||||
x_ref = x_ref*10_pReal -0.5_pReal
|
||||
x = x*10_pReal -0.5_pReal
|
||||
coef = coef*10_pREAL -0.5_pREAL
|
||||
x_ref = x_ref*10_pREAL -0.5_pREAL
|
||||
x = x*10_pREAL -0.5_pREAL
|
||||
|
||||
p1 = polynomial([coef(1)],x_ref)
|
||||
if (dNeq(p1%at(x),coef(1))) error stop 'polynomial: eval(constant)'
|
||||
|
@ -158,37 +158,37 @@ subroutine selfTest()
|
|||
'T_ref: '//trim(adjustl(x_ref_s))//IO_EOL
|
||||
dict => YAML_parse_str_asDict(trim(YAML_s))
|
||||
p2 = polynomial(dict,'C','T')
|
||||
if (dNeq(p1%at(x),p2%at(x),1.0e-6_pReal)) error stop 'polynomials: init'
|
||||
if (dNeq(p1%at(x),p2%at(x),1.0e-6_pREAL)) error stop 'polynomials: init'
|
||||
y = coef(1)+coef(2)*(x-x_ref)+coef(3)*(x-x_ref)**2+coef(4)*(x-x_ref)**3+coef(5)*(x-x_ref)**4
|
||||
if (dNeq(p1%at(x),y,1.0e-6_pReal)) error stop 'polynomials: eval(full)'
|
||||
if (dNeq(p1%at(x),y,1.0e-6_pREAL)) error stop 'polynomials: eval(full)'
|
||||
|
||||
YAML_s = 'C: 0.0'//IO_EOL//&
|
||||
'C,T: '//trim(adjustl(coef_s(2)))//IO_EOL//&
|
||||
'T_ref: '//trim(adjustl(x_ref_s))//IO_EOL
|
||||
dict => YAML_parse_str_asDict(trim(YAML_s))
|
||||
p1 = polynomial(dict,'C','T')
|
||||
if (dNeq(p1%at(x_ref+x),-p1%at(x_ref-x),1.0e-10_pReal)) error stop 'polynomials: eval(linear)'
|
||||
if (dNeq(p1%at(x_ref+x),-p1%at(x_ref-x),1.0e-10_pREAL)) error stop 'polynomials: eval(linear)'
|
||||
|
||||
YAML_s = 'C: 0.0'//IO_EOL//&
|
||||
'C,T^2: '//trim(adjustl(coef_s(3)))//IO_EOL//&
|
||||
'T_ref: '//trim(adjustl(x_ref_s))//IO_EOL
|
||||
dict => YAML_parse_str_asDict(trim(YAML_s))
|
||||
p1 = polynomial(dict,'C','T')
|
||||
if (dNeq(p1%at(x_ref+x),p1%at(x_ref-x),1e-10_pReal)) error stop 'polynomials: eval(quadratic)'
|
||||
if (dNeq(p1%at(x_ref+x),p1%at(x_ref-x),1e-10_pREAL)) error stop 'polynomials: eval(quadratic)'
|
||||
|
||||
YAML_s = 'Y: '//trim(adjustl(coef_s(1)))//IO_EOL//&
|
||||
'Y,X^3: '//trim(adjustl(coef_s(2)))//IO_EOL//&
|
||||
'X_ref: '//trim(adjustl(x_ref_s))//IO_EOL
|
||||
dict => YAML_parse_str_asDict(trim(YAML_s))
|
||||
p1 = polynomial(dict,'Y','X')
|
||||
if (dNeq(p1%at(x_ref+x)-coef(1),-(p1%at(x_ref-x)-coef(1)),1.0e-8_pReal)) error stop 'polynomials: eval(cubic)'
|
||||
if (dNeq(p1%at(x_ref+x)-coef(1),-(p1%at(x_ref-x)-coef(1)),1.0e-8_pREAL)) error stop 'polynomials: eval(cubic)'
|
||||
|
||||
YAML_s = 'Y: '//trim(adjustl(coef_s(1)))//IO_EOL//&
|
||||
'Y,X^4: '//trim(adjustl(coef_s(2)))//IO_EOL//&
|
||||
'X_ref: '//trim(adjustl(x_ref_s))//IO_EOL
|
||||
dict => YAML_parse_str_asDict(trim(YAML_s))
|
||||
p1 = polynomial(dict,'Y','X')
|
||||
if (dNeq(p1%at(x_ref+x),p1%at(x_ref-x),1.0e-6_pReal)) error stop 'polynomials: eval(quartic)'
|
||||
if (dNeq(p1%at(x_ref+x),p1%at(x_ref-x),1.0e-6_pREAL)) error stop 'polynomials: eval(quartic)'
|
||||
|
||||
|
||||
end subroutine selfTest
|
||||
|
|
58
src/prec.f90
58
src/prec.f90
|
@ -19,26 +19,26 @@ module prec
|
|||
public
|
||||
|
||||
! https://stevelionel.com/drfortran/2017/03/27/doctor-fortran-in-it-takes-all-kinds
|
||||
integer, parameter :: pReal = IEEE_selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-307 (typically 64 bit)
|
||||
integer, parameter :: pREAL = IEEE_selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-307 (typically 64 bit)
|
||||
integer, parameter :: pI32 = selected_int_kind(9) !< number with at least up to +-1e9 (typically 32 bit)
|
||||
integer, parameter :: pI64 = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit)
|
||||
#ifdef PETSC
|
||||
PetscInt, private :: dummy_int
|
||||
integer, parameter :: pPETSCINT = kind(dummy_int)
|
||||
PetscScalar, private :: dummy_scalar
|
||||
real(pReal), parameter, private :: pPETSCSCALAR = kind(dummy_scalar)
|
||||
real(pREAL), parameter, private :: pPETSCSCALAR = kind(dummy_scalar)
|
||||
#endif
|
||||
integer, parameter :: pSTRLEN = 256 !< default string length
|
||||
integer, parameter :: pPATHLEN = 4096 !< maximum length of a path name on linux
|
||||
|
||||
real(pReal), parameter :: tol_math_check = 1.0e-8_pReal !< tolerance for internal math self-checks (rotation)
|
||||
real(pREAL), parameter :: tol_math_check = 1.0e-8_pREAL !< tolerance for internal math self-checks (rotation)
|
||||
|
||||
|
||||
real(pReal), private, parameter :: PREAL_EPSILON = epsilon(0.0_pReal) !< minimum positive number such that 1.0 + EPSILON /= 1.0.
|
||||
real(pReal), private, parameter :: PREAL_MIN = tiny(0.0_pReal) !< smallest normalized floating point number
|
||||
real(pREAL), private, parameter :: PREAL_EPSILON = epsilon(0.0_pREAL) !< minimum positive number such that 1.0 + EPSILON /= 1.0.
|
||||
real(pREAL), private, parameter :: PREAL_MIN = tiny(0.0_pREAL) !< smallest normalized floating point number
|
||||
|
||||
integer, dimension(0), parameter :: emptyIntArray = [integer::]
|
||||
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
|
||||
real(pREAL), dimension(0), parameter :: emptyRealArray = [real(pREAL)::]
|
||||
character(len=pSTRLEN), dimension(0), parameter :: emptyStrArray = [character(len=pSTRLEN)::]
|
||||
|
||||
|
||||
|
@ -54,11 +54,11 @@ subroutine prec_init()
|
|||
|
||||
print'(/,a,i3)', ' integer size / bit: ',bit_size(0)
|
||||
print'( a,i19)', ' maximum value: ',huge(0)
|
||||
print'(/,a,i3)', ' real size / bit: ',storage_size(0.0_pReal)
|
||||
print'( a,e10.3)', ' maximum value: ',huge(0.0_pReal)
|
||||
print'(/,a,i3)', ' real size / bit: ',storage_size(0.0_pREAL)
|
||||
print'( a,e10.3)', ' maximum value: ',huge(0.0_pREAL)
|
||||
print'( a,e10.3)', ' minimum value: ',PREAL_MIN
|
||||
print'( a,e10.3)', ' epsilon value: ',PREAL_EPSILON
|
||||
print'( a,i3)', ' decimal precision: ',precision(0.0_pReal)
|
||||
print'( a,i3)', ' decimal precision: ',precision(0.0_pREAL)
|
||||
|
||||
call prec_selfTest()
|
||||
|
||||
|
@ -74,8 +74,8 @@ end subroutine prec_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function dEq(a,b,tol)
|
||||
|
||||
real(pReal), intent(in) :: a,b
|
||||
real(pReal), intent(in), optional :: tol
|
||||
real(pREAL), intent(in) :: a,b
|
||||
real(pREAL), intent(in), optional :: tol
|
||||
|
||||
|
||||
if (present(tol)) then
|
||||
|
@ -95,8 +95,8 @@ end function dEq
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function dNeq(a,b,tol)
|
||||
|
||||
real(pReal), intent(in) :: a,b
|
||||
real(pReal), intent(in), optional :: tol
|
||||
real(pREAL), intent(in) :: a,b
|
||||
real(pREAL), intent(in), optional :: tol
|
||||
|
||||
|
||||
dNeq = .not. dEq(a,b,tol)
|
||||
|
@ -112,14 +112,14 @@ end function dNeq
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function dEq0(a,tol)
|
||||
|
||||
real(pReal), intent(in) :: a
|
||||
real(pReal), intent(in), optional :: tol
|
||||
real(pREAL), intent(in) :: a
|
||||
real(pREAL), intent(in), optional :: tol
|
||||
|
||||
|
||||
if (present(tol)) then
|
||||
dEq0 = abs(a) <= tol
|
||||
else
|
||||
dEq0 = abs(a) <= PREAL_MIN * 10.0_pReal
|
||||
dEq0 = abs(a) <= PREAL_MIN * 10.0_pREAL
|
||||
end if
|
||||
|
||||
end function dEq0
|
||||
|
@ -133,8 +133,8 @@ end function dEq0
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function dNeq0(a,tol)
|
||||
|
||||
real(pReal), intent(in) :: a
|
||||
real(pReal), intent(in), optional :: tol
|
||||
real(pREAL), intent(in) :: a
|
||||
real(pREAL), intent(in), optional :: tol
|
||||
|
||||
|
||||
dNeq0 = .not. dEq0(a,tol)
|
||||
|
@ -151,8 +151,8 @@ end function dNeq0
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function cEq(a,b,tol)
|
||||
|
||||
complex(pReal), intent(in) :: a,b
|
||||
real(pReal), intent(in), optional :: tol
|
||||
complex(pREAL), intent(in) :: a,b
|
||||
real(pREAL), intent(in), optional :: tol
|
||||
|
||||
|
||||
if (present(tol)) then
|
||||
|
@ -173,8 +173,8 @@ end function cEq
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function cNeq(a,b,tol)
|
||||
|
||||
complex(pReal), intent(in) :: a,b
|
||||
real(pReal), intent(in), optional :: tol
|
||||
complex(pREAL), intent(in) :: a,b
|
||||
real(pREAL), intent(in), optional :: tol
|
||||
|
||||
|
||||
cNeq = .not. cEq(a,b,tol)
|
||||
|
@ -248,13 +248,13 @@ end function prec_bytesToC_INT64_T
|
|||
subroutine prec_selfTest()
|
||||
|
||||
integer, allocatable, dimension(:) :: realloc_lhs_test
|
||||
real(pReal), dimension(1) :: f
|
||||
real(pREAL), dimension(1) :: f
|
||||
integer(pI64), dimension(1) :: i
|
||||
real(pReal), dimension(2) :: r
|
||||
real(pREAL), dimension(2) :: r
|
||||
|
||||
|
||||
#ifdef PETSC
|
||||
if (pReal /= pPETSCSCALAR) error stop 'PETSc and DAMASK scalar datatypes do not match'
|
||||
if (pREAL /= pPETSCSCALAR) error stop 'PETSc and DAMASK scalar datatypes do not match'
|
||||
#endif
|
||||
realloc_lhs_test = [1,2]
|
||||
if (any(realloc_lhs_test/=[1,2])) error stop 'LHS allocation'
|
||||
|
@ -267,11 +267,11 @@ subroutine prec_selfTest()
|
|||
|
||||
! https://www.binaryconvert.com
|
||||
! https://www.rapidtables.com/convert/number/binary-to-decimal.html
|
||||
f = real(prec_bytesToC_FLOAT(int([-65,+11,-102,+75],C_SIGNED_CHAR)),pReal)
|
||||
if (dNeq(f(1),20191102.0_pReal,0.0_pReal)) error stop 'prec_bytesToC_FLOAT'
|
||||
f = real(prec_bytesToC_FLOAT(int([-65,+11,-102,+75],C_SIGNED_CHAR)),pREAL)
|
||||
if (dNeq(f(1),20191102.0_pREAL,0.0_pREAL)) error stop 'prec_bytesToC_FLOAT'
|
||||
|
||||
f = real(prec_bytesToC_DOUBLE(int([0,0,0,-32,+119,+65,+115,65],C_SIGNED_CHAR)),pReal)
|
||||
if (dNeq(f(1),20191102.0_pReal,0.0_pReal)) error stop 'prec_bytesToC_DOUBLE'
|
||||
f = real(prec_bytesToC_DOUBLE(int([0,0,0,-32,+119,+65,+115,65],C_SIGNED_CHAR)),pREAL)
|
||||
if (dNeq(f(1),20191102.0_pREAL,0.0_pREAL)) error stop 'prec_bytesToC_DOUBLE'
|
||||
|
||||
i = int(prec_bytesToC_INT32_T(int([+126,+23,+52,+1],C_SIGNED_CHAR)),pI64)
|
||||
if (i(1) /= 20191102_pI64) error stop 'prec_bytesToC_INT32_T'
|
||||
|
|
|
@ -141,7 +141,7 @@ end subroutine result_closeJobFile
|
|||
subroutine result_addIncrement(inc,time)
|
||||
|
||||
integer, intent(in) :: inc
|
||||
real(pReal), intent(in) :: time
|
||||
real(pREAL), intent(in) :: time
|
||||
|
||||
character(len=pSTRLEN) :: incChar
|
||||
|
||||
|
@ -251,7 +251,7 @@ end subroutine result_addAttribute_int
|
|||
subroutine result_addAttribute_real(attrLabel,attrValue,path)
|
||||
|
||||
character(len=*), intent(in) :: attrLabel
|
||||
real(pReal), intent(in) :: attrValue
|
||||
real(pREAL), intent(in) :: attrValue
|
||||
character(len=*), intent(in), optional :: path
|
||||
|
||||
|
||||
|
@ -296,7 +296,7 @@ end subroutine result_addAttribute_int_array
|
|||
subroutine result_addAttribute_real_array(attrLabel,attrValue,path)
|
||||
|
||||
character(len=*), intent(in) :: attrLabel
|
||||
real(pReal), intent(in), dimension(:) :: attrValue
|
||||
real(pREAL), intent(in), dimension(:) :: attrValue
|
||||
character(len=*), intent(in), optional :: path
|
||||
|
||||
|
||||
|
@ -345,7 +345,7 @@ subroutine result_writeScalarDataset_real(dataset,group,label,description,SIunit
|
|||
|
||||
character(len=*), intent(in) :: label,group,description
|
||||
character(len=*), intent(in), optional :: SIunit
|
||||
real(pReal), intent(in), dimension(:) :: dataset
|
||||
real(pREAL), intent(in), dimension(:) :: dataset
|
||||
|
||||
integer(HID_T) :: groupHandle
|
||||
|
||||
|
@ -366,7 +366,7 @@ subroutine result_writeVectorDataset_real(dataset,group,label,description,SIunit
|
|||
character(len=*), intent(in) :: label,group,description
|
||||
character(len=*), intent(in), optional :: SIunit
|
||||
character(len=*), intent(in), dimension(:), optional :: systems
|
||||
real(pReal), intent(in), dimension(:,:) :: dataset
|
||||
real(pREAL), intent(in), dimension(:,:) :: dataset
|
||||
|
||||
integer(HID_T) :: groupHandle
|
||||
|
||||
|
@ -390,11 +390,11 @@ subroutine result_writeTensorDataset_real(dataset,group,label,description,SIunit
|
|||
character(len=*), intent(in) :: label,group,description
|
||||
character(len=*), intent(in), optional :: SIunit
|
||||
logical, intent(in), optional :: transposed
|
||||
real(pReal), intent(in), dimension(:,:,:) :: dataset
|
||||
real(pREAL), intent(in), dimension(:,:,:) :: dataset
|
||||
|
||||
integer :: i
|
||||
integer(HID_T) :: groupHandle
|
||||
real(pReal), dimension(:,:,:), allocatable :: dataset_transposed
|
||||
real(pREAL), dimension(:,:,:), allocatable :: dataset_transposed
|
||||
|
||||
|
||||
groupHandle = result_openGroup(group)
|
||||
|
|
|
@ -53,10 +53,10 @@ module rotations
|
|||
implicit none(type,external)
|
||||
private
|
||||
|
||||
real(pReal), parameter :: P = -1.0_pReal !< parameter for orientation conversion.
|
||||
real(pREAL), parameter :: P = -1.0_pREAL !< parameter for orientation conversion.
|
||||
|
||||
type, public :: tRotation
|
||||
real(pReal), dimension(4) :: q
|
||||
real(pREAL), dimension(4) :: q
|
||||
contains
|
||||
procedure, public :: asQuaternion
|
||||
procedure, public :: asEulers
|
||||
|
@ -79,16 +79,16 @@ module rotations
|
|||
procedure, public :: standardize
|
||||
end type tRotation
|
||||
|
||||
real(pReal), parameter :: &
|
||||
PREF = sqrt(6.0_pReal/PI), &
|
||||
A = PI**(5.0_pReal/6.0_pReal)/6.0_pReal**(1.0_pReal/6.0_pReal), &
|
||||
AP = PI**(2.0_pReal/3.0_pReal), &
|
||||
real(pREAL), parameter :: &
|
||||
PREF = sqrt(6.0_pREAL/PI), &
|
||||
A = PI**(5.0_pREAL/6.0_pREAL)/6.0_pREAL**(1.0_pREAL/6.0_pREAL), &
|
||||
AP = PI**(2.0_pREAL/3.0_pREAL), &
|
||||
SC = A/AP, &
|
||||
BETA = A/2.0_pReal, &
|
||||
R1 = (3.0_pReal*PI/4.0_pReal)**(1.0_pReal/3.0_pReal), &
|
||||
R2 = sqrt(2.0_pReal), &
|
||||
PI12 = PI/12.0_pReal, &
|
||||
PREK = R1 * 2.0_pReal**(1.0_pReal/4.0_pReal)/BETA
|
||||
BETA = A/2.0_pREAL, &
|
||||
R1 = (3.0_pREAL*PI/4.0_pREAL)**(1.0_pREAL/3.0_pREAL), &
|
||||
R2 = sqrt(2.0_pREAL), &
|
||||
PI12 = PI/12.0_pREAL, &
|
||||
PREK = R1 * 2.0_pREAL**(1.0_pREAL/4.0_pREAL)/BETA
|
||||
|
||||
public :: &
|
||||
rotations_init, &
|
||||
|
@ -117,7 +117,7 @@ end subroutine rotations_init
|
|||
pure function asQuaternion(self)
|
||||
|
||||
class(tRotation), intent(in) :: self
|
||||
real(pReal), dimension(4) :: asQuaternion
|
||||
real(pREAL), dimension(4) :: asQuaternion
|
||||
|
||||
|
||||
asQuaternion = self%q
|
||||
|
@ -127,7 +127,7 @@ end function asQuaternion
|
|||
pure function asEulers(self)
|
||||
|
||||
class(tRotation), intent(in) :: self
|
||||
real(pReal), dimension(3) :: asEulers
|
||||
real(pREAL), dimension(3) :: asEulers
|
||||
|
||||
|
||||
asEulers = qu2eu(self%q)
|
||||
|
@ -137,7 +137,7 @@ end function asEulers
|
|||
pure function asAxisAngle(self)
|
||||
|
||||
class(tRotation), intent(in) :: self
|
||||
real(pReal), dimension(4) :: asAxisAngle
|
||||
real(pREAL), dimension(4) :: asAxisAngle
|
||||
|
||||
|
||||
asAxisAngle = qu2ax(self%q)
|
||||
|
@ -147,7 +147,7 @@ end function asAxisAngle
|
|||
pure function asMatrix(self)
|
||||
|
||||
class(tRotation), intent(in) :: self
|
||||
real(pReal), dimension(3,3) :: asMatrix
|
||||
real(pREAL), dimension(3,3) :: asMatrix
|
||||
|
||||
|
||||
asMatrix = qu2om(self%q)
|
||||
|
@ -160,10 +160,10 @@ end function asMatrix
|
|||
subroutine fromQuaternion(self,qu)
|
||||
|
||||
class(tRotation), intent(out) :: self
|
||||
real(pReal), dimension(4), intent(in) :: qu
|
||||
real(pREAL), dimension(4), intent(in) :: qu
|
||||
|
||||
|
||||
if (dNeq(norm2(qu),1.0_pReal,1.0e-8_pReal)) call IO_error(402,ext_msg='fromQuaternion')
|
||||
if (dNeq(norm2(qu),1.0_pREAL,1.0e-8_pREAL)) call IO_error(402,ext_msg='fromQuaternion')
|
||||
|
||||
self%q = qu
|
||||
|
||||
|
@ -172,15 +172,15 @@ end subroutine fromQuaternion
|
|||
subroutine fromEulers(self,eu,degrees)
|
||||
|
||||
class(tRotation), intent(out) :: self
|
||||
real(pReal), dimension(3), intent(in) :: eu
|
||||
real(pREAL), dimension(3), intent(in) :: eu
|
||||
logical, intent(in), optional :: degrees
|
||||
|
||||
real(pReal), dimension(3) :: Eulers
|
||||
real(pREAL), dimension(3) :: Eulers
|
||||
|
||||
|
||||
Eulers = merge(eu*INRAD,eu,misc_optional(degrees,.false.))
|
||||
|
||||
if (any(Eulers<0.0_pReal) .or. any(Eulers>TAU) .or. Eulers(2) > PI) &
|
||||
if (any(Eulers<0.0_pREAL) .or. any(Eulers>TAU) .or. Eulers(2) > PI) &
|
||||
call IO_error(402,ext_msg='fromEulers')
|
||||
|
||||
self%q = eu2qu(Eulers)
|
||||
|
@ -190,20 +190,20 @@ end subroutine fromEulers
|
|||
subroutine fromAxisAngle(self,ax,degrees,P)
|
||||
|
||||
class(tRotation), intent(out) :: self
|
||||
real(pReal), dimension(4), intent(in) :: ax
|
||||
real(pREAL), dimension(4), intent(in) :: ax
|
||||
logical, intent(in), optional :: degrees
|
||||
integer, intent(in), optional :: P
|
||||
|
||||
real(pReal) :: angle
|
||||
real(pReal),dimension(3) :: axis
|
||||
real(pREAL) :: angle
|
||||
real(pREAL),dimension(3) :: axis
|
||||
|
||||
|
||||
angle = merge(ax(4)*INRAD,ax(4),misc_optional(degrees,.false.))
|
||||
|
||||
axis = ax(1:3) * merge(-1.0_pReal,1.0_pReal,misc_optional(P,-1) == 1)
|
||||
axis = ax(1:3) * merge(-1.0_pREAL,1.0_pREAL,misc_optional(P,-1) == 1)
|
||||
if (abs(misc_optional(P,-1)) /= 1) call IO_error(402,ext_msg='fromAxisAngle (P)')
|
||||
|
||||
if (dNeq(norm2(axis),1.0_pReal) .or. angle < 0.0_pReal .or. angle > PI) &
|
||||
if (dNeq(norm2(axis),1.0_pREAL) .or. angle < 0.0_pREAL .or. angle > PI) &
|
||||
call IO_error(402,ext_msg='fromAxisAngle')
|
||||
|
||||
self%q = ax2qu([axis,angle])
|
||||
|
@ -213,10 +213,10 @@ end subroutine fromAxisAngle
|
|||
subroutine fromMatrix(self,om)
|
||||
|
||||
class(tRotation), intent(out) :: self
|
||||
real(pReal), dimension(3,3), intent(in) :: om
|
||||
real(pREAL), dimension(3,3), intent(in) :: om
|
||||
|
||||
|
||||
if (dNeq(math_det33(om),1.0_pReal,tol=1.0e-5_pReal)) &
|
||||
if (dNeq(math_det33(om),1.0_pREAL,tol=1.0e-5_pREAL)) &
|
||||
call IO_error(402,ext_msg='fromMatrix')
|
||||
|
||||
self%q = om2qu(om)
|
||||
|
@ -248,7 +248,7 @@ pure elemental subroutine standardize(self)
|
|||
class(tRotation), intent(inout) :: self
|
||||
|
||||
|
||||
if (sign(1.0_pReal,self%q(1)) < 0.0_pReal) self%q = - self%q
|
||||
if (sign(1.0_pREAL,self%q(1)) < 0.0_pREAL) self%q = - self%q
|
||||
|
||||
end subroutine standardize
|
||||
|
||||
|
@ -259,18 +259,18 @@ end subroutine standardize
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function rotVector(self,v,active) result(vRot)
|
||||
|
||||
real(pReal), dimension(3) :: vRot
|
||||
real(pREAL), dimension(3) :: vRot
|
||||
class(tRotation), intent(in) :: self
|
||||
real(pReal), intent(in), dimension(3) :: v
|
||||
real(pREAL), intent(in), dimension(3) :: v
|
||||
logical, intent(in), optional :: active
|
||||
|
||||
real(pReal), dimension(4) :: v_normed, q
|
||||
real(pREAL), dimension(4) :: v_normed, q
|
||||
|
||||
|
||||
if (dEq0(norm2(v))) then
|
||||
vRot = v
|
||||
else
|
||||
v_normed = [0.0_pReal,v]/norm2(v)
|
||||
v_normed = [0.0_pREAL,v]/norm2(v)
|
||||
q = merge(multiplyQuaternion(conjugateQuaternion(self%q), multiplyQuaternion(v_normed, self%q)), &
|
||||
multiplyQuaternion(self%q, multiplyQuaternion(v_normed, conjugateQuaternion(self%q))), &
|
||||
misc_optional(active,.false.))
|
||||
|
@ -287,9 +287,9 @@ end function rotVector
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function rotTensor2(self,T,active) result(tRot)
|
||||
|
||||
real(pReal), dimension(3,3) :: tRot
|
||||
real(pREAL), dimension(3,3) :: tRot
|
||||
class(tRotation), intent(in) :: self
|
||||
real(pReal), intent(in), dimension(3,3) :: T
|
||||
real(pREAL), intent(in), dimension(3,3) :: T
|
||||
logical, intent(in), optional :: active
|
||||
|
||||
|
||||
|
@ -307,17 +307,17 @@ end function rotTensor2
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function rotTensor4(self,T,active) result(tRot)
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: tRot
|
||||
real(pREAL), dimension(3,3,3,3) :: tRot
|
||||
class(tRotation), intent(in) :: self
|
||||
real(pReal), intent(in), dimension(3,3,3,3) :: T
|
||||
real(pREAL), intent(in), dimension(3,3,3,3) :: T
|
||||
logical, intent(in), optional :: active
|
||||
|
||||
real(pReal), dimension(3,3) :: R
|
||||
real(pREAL), dimension(3,3) :: R
|
||||
integer :: i,j,k,l,m,n,o,p
|
||||
|
||||
R = merge(transpose(self%asMatrix()),self%asMatrix(),misc_optional(active,.false.))
|
||||
|
||||
tRot = 0.0_pReal
|
||||
tRot = 0.0_pREAL
|
||||
do i = 1,3;do j = 1,3;do k = 1,3;do l = 1,3
|
||||
do m = 1,3;do n = 1,3;do o = 1,3;do p = 1,3
|
||||
tRot(i,j,k,l) = tRot(i,j,k,l) &
|
||||
|
@ -334,13 +334,13 @@ end function rotTensor4
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function rotStiffness(self,C,active) result(cRot)
|
||||
|
||||
real(pReal), dimension(6,6) :: cRot
|
||||
real(pREAL), dimension(6,6) :: cRot
|
||||
class(tRotation), intent(in) :: self
|
||||
real(pReal), intent(in), dimension(6,6) :: C
|
||||
real(pREAL), intent(in), dimension(6,6) :: C
|
||||
logical, intent(in), optional :: active
|
||||
|
||||
real(pReal), dimension(3,3) :: R
|
||||
real(pReal), dimension(6,6) :: M
|
||||
real(pREAL), dimension(3,3) :: R
|
||||
real(pREAL), dimension(6,6) :: M
|
||||
|
||||
|
||||
R = merge(transpose(self%asMatrix()),self%asMatrix(),misc_optional(active,.false.))
|
||||
|
@ -351,11 +351,11 @@ pure function rotStiffness(self,C,active) result(cRot)
|
|||
R(2,2)*R(3,2), R(1,2)*R(3,2), R(1,2)*R(2,2), &
|
||||
R(1,3)**2, R(2,3)**2, R(3,3)**2, &
|
||||
R(2,3)*R(3,3), R(1,3)*R(3,3), R(1,3)*R(2,3), &
|
||||
2.0_pReal*R(1,2)*R(1,3), 2.0_pReal*R(2,2)*R(2,3), 2.0_pReal*R(3,2)*R(3,3), &
|
||||
2.0_pREAL*R(1,2)*R(1,3), 2.0_pREAL*R(2,2)*R(2,3), 2.0_pREAL*R(3,2)*R(3,3), &
|
||||
R(2,2)*R(3,3)+R(2,3)*R(3,2), R(1,2)*R(3,3)+R(1,3)*R(3,2), R(1,2)*R(2,3)+R(1,3)*R(2,2), &
|
||||
2.0_pReal*R(1,3)*R(1,1), 2.0_pReal*R(2,3)*R(2,1), 2.0_pReal*R(3,3)*R(3,1), &
|
||||
2.0_pREAL*R(1,3)*R(1,1), 2.0_pREAL*R(2,3)*R(2,1), 2.0_pREAL*R(3,3)*R(3,1), &
|
||||
R(2,3)*R(3,1)+R(2,1)*R(3,3), R(1,3)*R(3,1)+R(1,1)*R(3,3), R(1,3)*R(2,1)+R(1,1)*R(2,3), &
|
||||
2.0_pReal*R(1,1)*R(1,2), 2.0_pReal*R(2,1)*R(2,2), 2.0_pReal*R(3,1)*R(3,2), &
|
||||
2.0_pREAL*R(1,1)*R(1,2), 2.0_pREAL*R(2,1)*R(2,2), 2.0_pREAL*R(3,1)*R(3,2), &
|
||||
R(2,1)*R(3,2)+R(2,2)*R(3,1), R(1,1)*R(3,2)+R(1,2)*R(3,1), R(1,1)*R(2,2)+R(1,2)*R(2,1)],[6,6])
|
||||
|
||||
cRot = matmul(M,matmul(C,transpose(M)))
|
||||
|
@ -383,27 +383,27 @@ end function misorientation
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function qu2om(qu) result(om)
|
||||
|
||||
real(pReal), intent(in), dimension(4) :: qu
|
||||
real(pReal), dimension(3,3) :: om
|
||||
real(pREAL), intent(in), dimension(4) :: qu
|
||||
real(pREAL), dimension(3,3) :: om
|
||||
|
||||
real(pReal) :: qq
|
||||
real(pREAL) :: qq
|
||||
|
||||
|
||||
qq = qu(1)**2-sum(qu(2:4)**2)
|
||||
|
||||
om(1,1) = qq+2.0_pReal*qu(2)**2
|
||||
om(2,2) = qq+2.0_pReal*qu(3)**2
|
||||
om(3,3) = qq+2.0_pReal*qu(4)**2
|
||||
om(1,1) = qq+2.0_pREAL*qu(2)**2
|
||||
om(2,2) = qq+2.0_pREAL*qu(3)**2
|
||||
om(3,3) = qq+2.0_pREAL*qu(4)**2
|
||||
|
||||
om(1,2) = 2.0_pReal*(qu(2)*qu(3)-qu(1)*qu(4))
|
||||
om(2,3) = 2.0_pReal*(qu(3)*qu(4)-qu(1)*qu(2))
|
||||
om(3,1) = 2.0_pReal*(qu(4)*qu(2)-qu(1)*qu(3))
|
||||
om(2,1) = 2.0_pReal*(qu(3)*qu(2)+qu(1)*qu(4))
|
||||
om(3,2) = 2.0_pReal*(qu(4)*qu(3)+qu(1)*qu(2))
|
||||
om(1,3) = 2.0_pReal*(qu(2)*qu(4)+qu(1)*qu(3))
|
||||
om(1,2) = 2.0_pREAL*(qu(2)*qu(3)-qu(1)*qu(4))
|
||||
om(2,3) = 2.0_pREAL*(qu(3)*qu(4)-qu(1)*qu(2))
|
||||
om(3,1) = 2.0_pREAL*(qu(4)*qu(2)-qu(1)*qu(3))
|
||||
om(2,1) = 2.0_pREAL*(qu(3)*qu(2)+qu(1)*qu(4))
|
||||
om(3,2) = 2.0_pREAL*(qu(4)*qu(3)+qu(1)*qu(2))
|
||||
om(1,3) = 2.0_pREAL*(qu(2)*qu(4)+qu(1)*qu(3))
|
||||
|
||||
if (sign(1.0_pReal,P) < 0.0_pReal) om = transpose(om)
|
||||
om = om/math_det33(om)**(1.0_pReal/3.0_pReal)
|
||||
if (sign(1.0_pREAL,P) < 0.0_pREAL) om = transpose(om)
|
||||
om = om/math_det33(om)**(1.0_pREAL/3.0_pREAL)
|
||||
|
||||
end function qu2om
|
||||
|
||||
|
@ -414,10 +414,10 @@ end function qu2om
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function qu2eu(qu) result(eu)
|
||||
|
||||
real(pReal), intent(in), dimension(4) :: qu
|
||||
real(pReal), dimension(3) :: eu
|
||||
real(pREAL), intent(in), dimension(4) :: qu
|
||||
real(pREAL), dimension(3) :: eu
|
||||
|
||||
real(pReal) :: q12, q03, chi
|
||||
real(pREAL) :: q12, q03, chi
|
||||
|
||||
|
||||
q03 = qu(1)**2+qu(4)**2
|
||||
|
@ -425,15 +425,15 @@ pure function qu2eu(qu) result(eu)
|
|||
chi = sqrt(q03*q12)
|
||||
|
||||
degenerated: if (dEq0(q12)) then
|
||||
eu = [atan2(-P*2.0_pReal*qu(1)*qu(4),qu(1)**2-qu(4)**2), 0.0_pReal, 0.0_pReal]
|
||||
eu = [atan2(-P*2.0_pREAL*qu(1)*qu(4),qu(1)**2-qu(4)**2), 0.0_pREAL, 0.0_pREAL]
|
||||
elseif (dEq0(q03)) then
|
||||
eu = [atan2( 2.0_pReal*qu(2)*qu(3),qu(2)**2-qu(3)**2), PI, 0.0_pReal]
|
||||
eu = [atan2( 2.0_pREAL*qu(2)*qu(3),qu(2)**2-qu(3)**2), PI, 0.0_pREAL]
|
||||
else degenerated
|
||||
eu = [atan2((-P*qu(1)*qu(3)+qu(2)*qu(4))*chi, (-P*qu(1)*qu(2)-qu(3)*qu(4))*chi ), &
|
||||
atan2( 2.0_pReal*chi, q03-q12 ), &
|
||||
atan2( 2.0_pREAL*chi, q03-q12 ), &
|
||||
atan2(( P*qu(1)*qu(3)+qu(2)*qu(4))*chi, (-P*qu(1)*qu(2)+qu(3)*qu(4))*chi )]
|
||||
end if degenerated
|
||||
where(sign(1.0_pReal,eu)<0.0_pReal) eu = mod(eu+TAU,[TAU,PI,TAU])
|
||||
where(sign(1.0_pREAL,eu)<0.0_pREAL) eu = mod(eu+TAU,[TAU,PI,TAU])
|
||||
|
||||
end function qu2eu
|
||||
|
||||
|
@ -444,17 +444,17 @@ end function qu2eu
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function qu2ax(qu) result(ax)
|
||||
|
||||
real(pReal), intent(in), dimension(4) :: qu
|
||||
real(pReal), dimension(4) :: ax
|
||||
real(pREAL), intent(in), dimension(4) :: qu
|
||||
real(pREAL), dimension(4) :: ax
|
||||
|
||||
real(pReal) :: omega, s
|
||||
real(pREAL) :: omega, s
|
||||
|
||||
|
||||
if (dEq0(sum(qu(2:4)**2))) then
|
||||
ax = [ 0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal ] ! axis = [001]
|
||||
ax = [ 0.0_pREAL, 0.0_pREAL, 1.0_pREAL, 0.0_pREAL ] ! axis = [001]
|
||||
elseif (dNeq0(qu(1))) then
|
||||
s = sign(1.0_pReal,qu(1))/norm2(qu(2:4))
|
||||
omega = 2.0_pReal * acos(math_clip(qu(1),-1.0_pReal,1.0_pReal))
|
||||
s = sign(1.0_pREAL,qu(1))/norm2(qu(2:4))
|
||||
omega = 2.0_pREAL * acos(math_clip(qu(1),-1.0_pREAL,1.0_pREAL))
|
||||
ax = [ qu(2)*s, qu(3)*s, qu(4)*s, omega ]
|
||||
else
|
||||
ax = [ qu(2), qu(3), qu(4), PI ]
|
||||
|
@ -470,29 +470,29 @@ end function qu2ax
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function om2qu(om) result(qu)
|
||||
|
||||
real(pReal), intent(in), dimension(3,3) :: om
|
||||
real(pReal), dimension(4) :: qu
|
||||
real(pREAL), intent(in), dimension(3,3) :: om
|
||||
real(pREAL), dimension(4) :: qu
|
||||
|
||||
real(pReal) :: trace,s
|
||||
real(pREAL) :: trace,s
|
||||
trace = math_trace33(om)
|
||||
|
||||
|
||||
if (trace > 0.0_pReal) then
|
||||
s = 0.5_pReal / sqrt(trace+1.0_pReal)
|
||||
qu = [0.25_pReal/s, (om(3,2)-om(2,3))*s,(om(1,3)-om(3,1))*s,(om(2,1)-om(1,2))*s]
|
||||
if (trace > 0.0_pREAL) then
|
||||
s = 0.5_pREAL / sqrt(trace+1.0_pREAL)
|
||||
qu = [0.25_pREAL/s, (om(3,2)-om(2,3))*s,(om(1,3)-om(3,1))*s,(om(2,1)-om(1,2))*s]
|
||||
else
|
||||
if ( om(1,1) > om(2,2) .and. om(1,1) > om(3,3) ) then
|
||||
s = 2.0_pReal * sqrt( 1.0_pReal + om(1,1) - om(2,2) - om(3,3))
|
||||
qu = [ (om(3,2) - om(2,3)) /s,0.25_pReal * s,(om(1,2) + om(2,1)) / s,(om(1,3) + om(3,1)) / s]
|
||||
s = 2.0_pREAL * sqrt( 1.0_pREAL + om(1,1) - om(2,2) - om(3,3))
|
||||
qu = [ (om(3,2) - om(2,3)) /s,0.25_pREAL * s,(om(1,2) + om(2,1)) / s,(om(1,3) + om(3,1)) / s]
|
||||
elseif (om(2,2) > om(3,3)) then
|
||||
s = 2.0_pReal * sqrt( 1.0_pReal + om(2,2) - om(1,1) - om(3,3))
|
||||
qu = [ (om(1,3) - om(3,1)) /s,(om(1,2) + om(2,1)) / s,0.25_pReal * s,(om(2,3) + om(3,2)) / s]
|
||||
s = 2.0_pREAL * sqrt( 1.0_pREAL + om(2,2) - om(1,1) - om(3,3))
|
||||
qu = [ (om(1,3) - om(3,1)) /s,(om(1,2) + om(2,1)) / s,0.25_pREAL * s,(om(2,3) + om(3,2)) / s]
|
||||
else
|
||||
s = 2.0_pReal * sqrt( 1.0_pReal + om(3,3) - om(1,1) - om(2,2) )
|
||||
qu = [ (om(2,1) - om(1,2)) /s,(om(1,3) + om(3,1)) / s,(om(2,3) + om(3,2)) / s,0.25_pReal * s]
|
||||
s = 2.0_pREAL * sqrt( 1.0_pREAL + om(3,3) - om(1,1) - om(2,2) )
|
||||
qu = [ (om(2,1) - om(1,2)) /s,(om(1,3) + om(3,1)) / s,(om(2,3) + om(3,2)) / s,0.25_pREAL * s]
|
||||
end if
|
||||
end if
|
||||
if (sign(1.0_pReal,qu(1))<0.0_pReal) qu =-1.0_pReal * qu
|
||||
if (sign(1.0_pREAL,qu(1))<0.0_pREAL) qu =-1.0_pREAL * qu
|
||||
qu(2:4) = merge(qu(2:4),qu(2:4)*P,dEq0(qu(2:4)))
|
||||
qu = qu/norm2(qu)
|
||||
|
||||
|
@ -506,21 +506,21 @@ end function om2qu
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function om2eu(om) result(eu)
|
||||
|
||||
real(pReal), intent(in), dimension(3,3) :: om
|
||||
real(pReal), dimension(3) :: eu
|
||||
real(pReal) :: zeta
|
||||
real(pREAL), intent(in), dimension(3,3) :: om
|
||||
real(pREAL), dimension(3) :: eu
|
||||
real(pREAL) :: zeta
|
||||
|
||||
|
||||
if (dNeq(abs(om(3,3)),1.0_pReal,1.e-8_pReal)) then
|
||||
zeta = 1.0_pReal/sqrt(math_clip(1.0_pReal-om(3,3)**2,1e-64_pReal,1.0_pReal))
|
||||
if (dNeq(abs(om(3,3)),1.0_pREAL,1.e-8_pREAL)) then
|
||||
zeta = 1.0_pREAL/sqrt(math_clip(1.0_pREAL-om(3,3)**2,1e-64_pREAL,1.0_pREAL))
|
||||
eu = [atan2(om(3,1)*zeta,-om(3,2)*zeta), &
|
||||
acos(math_clip(om(3,3),-1.0_pReal,1.0_pReal)), &
|
||||
acos(math_clip(om(3,3),-1.0_pREAL,1.0_pREAL)), &
|
||||
atan2(om(1,3)*zeta, om(2,3)*zeta)]
|
||||
else
|
||||
eu = [atan2(om(1,2),om(1,1)), 0.5_pReal*PI*(1.0_pReal-om(3,3)),0.0_pReal ]
|
||||
eu = [atan2(om(1,2),om(1,1)), 0.5_pREAL*PI*(1.0_pREAL-om(3,3)),0.0_pREAL ]
|
||||
end if
|
||||
where(abs(eu) < 1.e-8_pReal) eu = 0.0_pReal
|
||||
where(sign(1.0_pReal,eu)<0.0_pReal) eu = mod(eu+TAU,[TAU,PI,TAU])
|
||||
where(abs(eu) < 1.e-8_pREAL) eu = 0.0_pREAL
|
||||
where(sign(1.0_pREAL,eu)<0.0_pREAL) eu = mod(eu+TAU,[TAU,PI,TAU])
|
||||
|
||||
end function om2eu
|
||||
|
||||
|
@ -531,28 +531,28 @@ end function om2eu
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function om2ax(om) result(ax)
|
||||
|
||||
real(pReal), intent(in), dimension(3,3) :: om
|
||||
real(pReal), dimension(4) :: ax
|
||||
real(pREAL), intent(in), dimension(3,3) :: om
|
||||
real(pREAL), dimension(4) :: ax
|
||||
|
||||
real(pReal) :: t
|
||||
real(pReal), dimension(3) :: Wr, Wi
|
||||
real(pReal), dimension((64+2)*3) :: work
|
||||
real(pReal), dimension(3,3) :: VR, devNull, om_
|
||||
real(pREAL) :: t
|
||||
real(pREAL), dimension(3) :: Wr, Wi
|
||||
real(pREAL), dimension((64+2)*3) :: work
|
||||
real(pREAL), dimension(3,3) :: VR, devNull, om_
|
||||
integer :: ierr, i
|
||||
|
||||
|
||||
om_ = om
|
||||
|
||||
! first get the rotation angle
|
||||
t = 0.5_pReal * (math_trace33(om) - 1.0_pReal)
|
||||
ax(4) = acos(math_clip(t,-1.0_pReal,1.0_pReal))
|
||||
t = 0.5_pREAL * (math_trace33(om) - 1.0_pREAL)
|
||||
ax(4) = acos(math_clip(t,-1.0_pREAL,1.0_pREAL))
|
||||
|
||||
if (dEq0(ax(4))) then
|
||||
ax(1:3) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal ]
|
||||
ax(1:3) = [ 0.0_pREAL, 0.0_pREAL, 1.0_pREAL ]
|
||||
else
|
||||
call dgeev('N','V',3,om_,3,Wr,Wi,devNull,3,VR,3,work,size(work,1),ierr)
|
||||
if (ierr /= 0) error stop 'LAPACK error'
|
||||
i = findloc(cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal),.true.,dim=1) !find eigenvalue (1,0)
|
||||
i = findloc(cEq(cmplx(Wr,Wi,pREAL),cmplx(1.0_pREAL,0.0_pREAL,pREAL),tol=1.0e-14_pREAL),.true.,dim=1) !find eigenvalue (1,0)
|
||||
if (i == 0) error stop 'om2ax conversion failed'
|
||||
ax(1:3) = VR(1:3,i)
|
||||
where ( dNeq0([om(2,3)-om(3,2), om(3,1)-om(1,3), om(1,2)-om(2,1)])) &
|
||||
|
@ -568,13 +568,13 @@ end function om2ax
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function eu2qu(eu) result(qu)
|
||||
|
||||
real(pReal), intent(in), dimension(3) :: eu
|
||||
real(pReal), dimension(4) :: qu
|
||||
real(pReal), dimension(3) :: ee
|
||||
real(pReal) :: cPhi, sPhi
|
||||
real(pREAL), intent(in), dimension(3) :: eu
|
||||
real(pREAL), dimension(4) :: qu
|
||||
real(pREAL), dimension(3) :: ee
|
||||
real(pREAL) :: cPhi, sPhi
|
||||
|
||||
|
||||
ee = 0.5_pReal*eu
|
||||
ee = 0.5_pREAL*eu
|
||||
|
||||
cPhi = cos(ee(2))
|
||||
sPhi = sin(ee(2))
|
||||
|
@ -583,7 +583,7 @@ pure function eu2qu(eu) result(qu)
|
|||
-P*sPhi*cos(ee(1)-ee(3)), &
|
||||
-P*sPhi*sin(ee(1)-ee(3)), &
|
||||
-P*cPhi*sin(ee(1)+ee(3))]
|
||||
if (sign(1.0_pReal,qu(1)) < 0.0_pReal) qu = qu * (-1.0_pReal)
|
||||
if (sign(1.0_pREAL,qu(1)) < 0.0_pREAL) qu = qu * (-1.0_pREAL)
|
||||
|
||||
end function eu2qu
|
||||
|
||||
|
@ -594,10 +594,10 @@ end function eu2qu
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function eu2om(eu) result(om)
|
||||
|
||||
real(pReal), intent(in), dimension(3) :: eu
|
||||
real(pReal), dimension(3,3) :: om
|
||||
real(pREAL), intent(in), dimension(3) :: eu
|
||||
real(pREAL), dimension(3,3) :: om
|
||||
|
||||
real(pReal), dimension(3) :: c, s
|
||||
real(pREAL), dimension(3) :: c, s
|
||||
|
||||
|
||||
c = cos(eu)
|
||||
|
@ -613,7 +613,7 @@ pure function eu2om(eu) result(om)
|
|||
om(2,3) = c(3)*s(2)
|
||||
om(3,3) = c(2)
|
||||
|
||||
where(abs(om)<1.0e-12_pReal) om = 0.0_pReal
|
||||
where(abs(om)<1.0e-12_pREAL) om = 0.0_pREAL
|
||||
|
||||
end function eu2om
|
||||
|
||||
|
@ -624,25 +624,25 @@ end function eu2om
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function eu2ax(eu) result(ax)
|
||||
|
||||
real(pReal), intent(in), dimension(3) :: eu
|
||||
real(pReal), dimension(4) :: ax
|
||||
real(pREAL), intent(in), dimension(3) :: eu
|
||||
real(pREAL), dimension(4) :: ax
|
||||
|
||||
real(pReal) :: t, delta, tau, alpha, sigma
|
||||
real(pREAL) :: t, delta, tau, alpha, sigma
|
||||
|
||||
|
||||
t = tan(eu(2)*0.5_pReal)
|
||||
sigma = 0.5_pReal*(eu(1)+eu(3))
|
||||
delta = 0.5_pReal*(eu(1)-eu(3))
|
||||
t = tan(eu(2)*0.5_pREAL)
|
||||
sigma = 0.5_pREAL*(eu(1)+eu(3))
|
||||
delta = 0.5_pREAL*(eu(1)-eu(3))
|
||||
tau = sqrt(t**2+sin(sigma)**2)
|
||||
|
||||
alpha = merge(PI, 2.0_pReal*atan(tau/cos(sigma)), dEq(sigma,PI*0.5_pReal,tol=1.0e-15_pReal))
|
||||
alpha = merge(PI, 2.0_pREAL*atan(tau/cos(sigma)), dEq(sigma,PI*0.5_pREAL,tol=1.0e-15_pREAL))
|
||||
|
||||
if (dEq0(alpha)) then ! return a default identity axis-angle pair
|
||||
ax = [ 0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal ]
|
||||
ax = [ 0.0_pREAL, 0.0_pREAL, 1.0_pREAL, 0.0_pREAL ]
|
||||
else
|
||||
ax(1:3) = -P/tau * [ t*cos(delta), t*sin(delta), sin(sigma) ] ! passive axis-angle pair so a minus sign in front
|
||||
ax(4) = alpha
|
||||
if (sign(1.0_pReal,alpha) < 0.0_pReal) ax = -ax ! ensure alpha is positive
|
||||
if (sign(1.0_pREAL,alpha) < 0.0_pREAL) ax = -ax ! ensure alpha is positive
|
||||
end if
|
||||
|
||||
end function eu2ax
|
||||
|
@ -654,17 +654,17 @@ end function eu2ax
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function ax2qu(ax) result(qu)
|
||||
|
||||
real(pReal), intent(in), dimension(4) :: ax
|
||||
real(pReal), dimension(4) :: qu
|
||||
real(pREAL), intent(in), dimension(4) :: ax
|
||||
real(pREAL), dimension(4) :: qu
|
||||
|
||||
real(pReal) :: c, s
|
||||
real(pREAL) :: c, s
|
||||
|
||||
|
||||
if (dEq0(ax(4))) then
|
||||
qu = [ 1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal ]
|
||||
qu = [ 1.0_pREAL, 0.0_pREAL, 0.0_pREAL, 0.0_pREAL ]
|
||||
else
|
||||
c = cos(ax(4)*0.5_pReal)
|
||||
s = sin(ax(4)*0.5_pReal)
|
||||
c = cos(ax(4)*0.5_pREAL)
|
||||
s = sin(ax(4)*0.5_pREAL)
|
||||
qu = [ c, ax(1)*s, ax(2)*s, ax(3)*s ]
|
||||
end if
|
||||
|
||||
|
@ -677,15 +677,15 @@ end function ax2qu
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function ax2om(ax) result(om)
|
||||
|
||||
real(pReal), intent(in), dimension(4) :: ax
|
||||
real(pReal), dimension(3,3) :: om
|
||||
real(pREAL), intent(in), dimension(4) :: ax
|
||||
real(pREAL), dimension(3,3) :: om
|
||||
|
||||
real(pReal) :: q, c, s, omc
|
||||
real(pREAL) :: q, c, s, omc
|
||||
|
||||
|
||||
c = cos(ax(4))
|
||||
s = sin(ax(4))
|
||||
omc = 1.0_pReal-c
|
||||
omc = 1.0_pREAL-c
|
||||
|
||||
om(1,1) = ax(1)**2*omc + c
|
||||
om(2,2) = ax(2)**2*omc + c
|
||||
|
@ -703,7 +703,7 @@ pure function ax2om(ax) result(om)
|
|||
om(3,1) = q + s*ax(2)
|
||||
om(1,3) = q - s*ax(2)
|
||||
|
||||
if (P > 0.0_pReal) om = transpose(om)
|
||||
if (P > 0.0_pREAL) om = transpose(om)
|
||||
|
||||
end function ax2om
|
||||
|
||||
|
@ -714,8 +714,8 @@ end function ax2om
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function ax2eu(ax) result(eu)
|
||||
|
||||
real(pReal), intent(in), dimension(4) :: ax
|
||||
real(pReal), dimension(3) :: eu
|
||||
real(pREAL), intent(in), dimension(4) :: ax
|
||||
real(pREAL), dimension(3) :: eu
|
||||
|
||||
|
||||
eu = om2eu(ax2om(ax))
|
||||
|
@ -728,8 +728,8 @@ end function ax2eu
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function multiplyQuaternion(qu1,qu2)
|
||||
|
||||
real(pReal), dimension(4), intent(in) :: qu1, qu2
|
||||
real(pReal), dimension(4) :: multiplyQuaternion
|
||||
real(pREAL), dimension(4), intent(in) :: qu1, qu2
|
||||
real(pREAL), dimension(4) :: multiplyQuaternion
|
||||
|
||||
|
||||
multiplyQuaternion(1) = qu1(1)*qu2(1) - qu1(2)*qu2(2) - qu1(3)*qu2(3) - qu1(4)*qu2(4)
|
||||
|
@ -745,8 +745,8 @@ end function multiplyQuaternion
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function conjugateQuaternion(qu)
|
||||
|
||||
real(pReal), dimension(4), intent(in) :: qu
|
||||
real(pReal), dimension(4) :: conjugateQuaternion
|
||||
real(pREAL), dimension(4), intent(in) :: qu
|
||||
real(pREAL), dimension(4) :: conjugateQuaternion
|
||||
|
||||
|
||||
conjugateQuaternion = [qu(1), -qu(2), -qu(3), -qu(4)]
|
||||
|
@ -760,36 +760,36 @@ end function conjugateQuaternion
|
|||
subroutine selfTest()
|
||||
|
||||
type(tRotation) :: R
|
||||
real(pReal), dimension(4) :: qu
|
||||
real(pReal), dimension(3) :: x, eu, v3
|
||||
real(pReal), dimension(3,3) :: om, t33
|
||||
real(pReal), dimension(3,3,3,3) :: t3333
|
||||
real(pReal), dimension(6,6) :: C
|
||||
real(pReal) :: A,B
|
||||
real(pREAL), dimension(4) :: qu
|
||||
real(pREAL), dimension(3) :: x, eu, v3
|
||||
real(pREAL), dimension(3,3) :: om, t33
|
||||
real(pREAL), dimension(3,3,3,3) :: t3333
|
||||
real(pREAL), dimension(6,6) :: C
|
||||
real(pREAL) :: A,B
|
||||
integer :: i
|
||||
|
||||
|
||||
do i = 1, 20
|
||||
|
||||
if (i==1) then
|
||||
qu = [1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal]
|
||||
qu = [1.0_pREAL, 0.0_pREAL, 0.0_pREAL, 0.0_pREAL]
|
||||
elseif (i==2) then
|
||||
qu = [1.0_pReal,-0.0_pReal,-0.0_pReal,-0.0_pReal]
|
||||
qu = [1.0_pREAL,-0.0_pREAL,-0.0_pREAL,-0.0_pREAL]
|
||||
elseif (i==3) then
|
||||
qu = [0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal]
|
||||
qu = [0.0_pREAL, 1.0_pREAL, 0.0_pREAL, 0.0_pREAL]
|
||||
elseif (i==4) then
|
||||
qu = [0.0_pReal,0.0_pReal,1.0_pReal,0.0_pReal]
|
||||
qu = [0.0_pREAL,0.0_pREAL,1.0_pREAL,0.0_pREAL]
|
||||
elseif (i==5) then
|
||||
qu = [0.0_pReal, 0.0_pReal, 0.0_pReal, 1.0_pReal]
|
||||
qu = [0.0_pREAL, 0.0_pREAL, 0.0_pREAL, 1.0_pREAL]
|
||||
else
|
||||
call random_number(x)
|
||||
A = sqrt(x(3))
|
||||
B = sqrt(1-0_pReal -x(3))
|
||||
B = sqrt(1-0_pREAL -x(3))
|
||||
qu = [cos(TAU*x(1))*A,&
|
||||
sin(TAU*x(2))*B,&
|
||||
cos(TAU*x(2))*B,&
|
||||
sin(TAU*x(1))*A]
|
||||
if (qu(1)<0.0_pReal) qu = qu * (-1.0_pReal)
|
||||
if (qu(1)<0.0_pREAL) qu = qu * (-1.0_pREAL)
|
||||
end if
|
||||
|
||||
|
||||
|
@ -807,24 +807,24 @@ subroutine selfTest()
|
|||
call R%fromMatrix(om)
|
||||
|
||||
call random_number(v3)
|
||||
if (any(dNeq(R%rotVector(R%rotVector(v3),active=.true.),v3,1.0e-12_pReal))) &
|
||||
if (any(dNeq(R%rotVector(R%rotVector(v3),active=.true.),v3,1.0e-12_pREAL))) &
|
||||
error stop 'rotVector'
|
||||
|
||||
call random_number(t33)
|
||||
if (any(dNeq(R%rotTensor2(R%rotTensor2(t33),active=.true.),t33,1.0e-12_pReal))) &
|
||||
if (any(dNeq(R%rotTensor2(R%rotTensor2(t33),active=.true.),t33,1.0e-12_pREAL))) &
|
||||
error stop 'rotTensor2'
|
||||
|
||||
call random_number(t3333)
|
||||
if (any(dNeq(R%rotTensor4(R%rotTensor4(t3333),active=.true.),t3333,1.0e-12_pReal))) &
|
||||
if (any(dNeq(R%rotTensor4(R%rotTensor4(t3333),active=.true.),t3333,1.0e-12_pREAL))) &
|
||||
error stop 'rotTensor4'
|
||||
|
||||
call random_number(C)
|
||||
C = C+transpose(C)
|
||||
if (any(dNeq(R%rotStiffness(C), &
|
||||
math_3333toVoigt66_stiffness(R%rotate(math_Voigt66to3333_stiffness(C))),1.0e-12_pReal))) &
|
||||
math_3333toVoigt66_stiffness(R%rotate(math_Voigt66to3333_stiffness(C))),1.0e-12_pREAL))) &
|
||||
error stop 'rotStiffness'
|
||||
|
||||
call R%fromQuaternion(qu * (1.0_pReal + merge(+5.e-9_pReal,-5.e-9_pReal, mod(i,2) == 0))) ! allow reasonable tolerance for ASCII/YAML
|
||||
call R%fromQuaternion(qu * (1.0_pREAL + merge(+5.e-9_pREAL,-5.e-9_pREAL, mod(i,2) == 0))) ! allow reasonable tolerance for ASCII/YAML
|
||||
|
||||
end do
|
||||
|
||||
|
@ -832,12 +832,12 @@ subroutine selfTest()
|
|||
|
||||
pure recursive function quaternion_equal(qu1,qu2) result(ok)
|
||||
|
||||
real(pReal), intent(in), dimension(4) :: qu1,qu2
|
||||
real(pREAL), intent(in), dimension(4) :: qu1,qu2
|
||||
logical :: ok
|
||||
|
||||
ok = all(dEq(qu1,qu2,1.0e-7_pReal))
|
||||
if (dEq0(qu1(1),1.0e-12_pReal)) &
|
||||
ok = ok .or. all(dEq(-1.0_pReal*qu1,qu2,1.0e-7_pReal))
|
||||
ok = all(dEq(qu1,qu2,1.0e-7_pREAL))
|
||||
if (dEq0(qu1(1),1.0e-12_pREAL)) &
|
||||
ok = ok .or. all(dEq(-1.0_pREAL*qu1,qu2,1.0e-7_pREAL))
|
||||
|
||||
end function quaternion_equal
|
||||
|
||||
|
|
|
@ -13,7 +13,7 @@ module tables
|
|||
private
|
||||
|
||||
type, public :: tTable
|
||||
real(pReal), dimension(:), allocatable :: x,y
|
||||
real(pREAL), dimension(:), allocatable :: x,y
|
||||
contains
|
||||
procedure, public :: at => eval
|
||||
end type tTable
|
||||
|
@ -47,7 +47,7 @@ end subroutine tables_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
function table_from_values(x,y) result(t)
|
||||
|
||||
real(pReal), dimension(:), intent(in) :: x,y
|
||||
real(pREAL), dimension(:), intent(in) :: x,y
|
||||
type(tTable) :: t
|
||||
|
||||
|
||||
|
@ -55,7 +55,7 @@ function table_from_values(x,y) result(t)
|
|||
if (size(y) < 1) call IO_error(603,ext_msg='missing tabulated y data')
|
||||
if (size(x) /= size(y)) call IO_error(603,ext_msg='shape mismatch in tabulated data')
|
||||
if (size(x) /= 1) then
|
||||
if (any(x(2:size(x))-x(1:size(x)-1) <= 0.0_pReal)) &
|
||||
if (any(x(2:size(x))-x(1:size(x)-1) <= 0.0_pREAL)) &
|
||||
call IO_error(603,ext_msg='ordinate data does not increase monotonically')
|
||||
end if
|
||||
|
||||
|
@ -86,8 +86,8 @@ end function table_from_dict
|
|||
pure function eval(self,x) result(y)
|
||||
|
||||
class(tTable), intent(in) :: self
|
||||
real(pReal), intent(in) :: x
|
||||
real(pReal) :: y
|
||||
real(pREAL), intent(in) :: x
|
||||
real(pREAL) :: y
|
||||
|
||||
integer :: i
|
||||
|
||||
|
@ -109,25 +109,25 @@ end function eval
|
|||
subroutine selfTest()
|
||||
|
||||
type(tTable) :: t
|
||||
real(pReal), dimension(*), parameter :: &
|
||||
x = real([ 1., 2., 3., 4.],pReal), &
|
||||
y = real([ 1., 3., 2.,-2.],pReal), &
|
||||
x_eval = real([ 0.0, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0, 4.5, 5.0],pReal), &
|
||||
y_true = real([-1.0, 0.0, 1.0, 2.0, 3.0, 2.5 ,2.0, 0.0,-2.0,-4.0,-6.0],pReal)
|
||||
real(pREAL), dimension(*), parameter :: &
|
||||
x = real([ 1., 2., 3., 4.],pREAL), &
|
||||
y = real([ 1., 3., 2.,-2.],pREAL), &
|
||||
x_eval = real([ 0.0, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0, 4.5, 5.0],pREAL), &
|
||||
y_true = real([-1.0, 0.0, 1.0, 2.0, 3.0, 2.5 ,2.0, 0.0,-2.0,-4.0,-6.0],pREAL)
|
||||
integer :: i
|
||||
type(tDict), pointer :: dict
|
||||
type(tList), pointer :: l_x, l_y
|
||||
real(pReal) :: r
|
||||
real(pREAL) :: r
|
||||
|
||||
|
||||
call random_number(r)
|
||||
t = table(real([0.],pReal),real([r],pReal))
|
||||
if (dNeq(r,t%at(r),1.0e-9_pReal)) error stop 'table eval/mono'
|
||||
t = table(real([0.],pREAL),real([r],pREAL))
|
||||
if (dNeq(r,t%at(r),1.0e-9_pREAL)) error stop 'table eval/mono'
|
||||
|
||||
r = r-0.5_pReal
|
||||
r = r-0.5_pREAL
|
||||
t = table(x+r,y)
|
||||
do i = 1, size(x_eval)
|
||||
if (dNeq(y_true(i),t%at(x_eval(i)+r),1.0e-9_pReal)) error stop 'table eval/values'
|
||||
if (dNeq(y_true(i),t%at(x_eval(i)+r),1.0e-9_pREAL)) error stop 'table eval/values'
|
||||
end do
|
||||
|
||||
l_x => YAML_parse_str_asList('[1, 2, 3, 4]'//IO_EOL)
|
||||
|
|
|
@ -22,7 +22,7 @@ end subroutine HDF5_utilities_test
|
|||
subroutine test_read_write()
|
||||
|
||||
integer(HID_T) :: f
|
||||
real(pReal), dimension(3) :: d_in,d_out
|
||||
real(pREAL), dimension(3) :: d_in,d_out
|
||||
|
||||
|
||||
call random_number(d_in)
|
||||
|
|
Loading…
Reference in New Issue