cleaning
This commit is contained in:
Martin Diehl
parent
6c02d71019
commit
c191336045
288
src/material.f90
288
src/material.f90
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@ -8,15 +8,9 @@
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!! 'phase', 'texture', and 'microstucture'
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!! 'phase', 'texture', and 'microstucture'
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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module material
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module material
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use prec, only: &
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use prec
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pReal, &
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use math
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pInt, &
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use config
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tState, &
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tPlasticState, &
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tSourceState, &
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tHomogMapping, &
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group_float, &
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group_int
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implicit none
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implicit none
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private
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private
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@ -279,20 +273,9 @@ subroutine material_init
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debug_material, &
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debug_material, &
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debug_levelBasic, &
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debug_levelBasic, &
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debug_levelExtensive
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debug_levelExtensive
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use config, only: &
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config_crystallite, &
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config_homogenization, &
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config_microstructure, &
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config_phase, &
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config_texture, &
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homogenization_name, &
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microstructure_name, &
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phase_name, &
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texture_name
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use mesh, only: &
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use mesh, only: &
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theMesh
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theMesh
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implicit none
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integer(pInt), parameter :: FILEUNIT = 210_pInt
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integer(pInt), parameter :: FILEUNIT = 210_pInt
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integer(pInt) :: m,c,h, myDebug, myPhase, myHomog
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integer(pInt) :: m,c,h, myDebug, myPhase, myHomog
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integer(pInt) :: &
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integer(pInt) :: &
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@ -461,14 +444,11 @@ end subroutine material_init
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!> @brief parses the homogenization part from the material configuration
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!> @brief parses the homogenization part from the material configuration
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseHomogenization
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subroutine material_parseHomogenization
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use config, only : &
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config_homogenization
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use mesh, only: &
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use mesh, only: &
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theMesh
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theMesh
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use IO, only: &
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use IO, only: &
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IO_error
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IO_error
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implicit none
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integer(pInt) :: h
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integer(pInt) :: h
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character(len=65536) :: tag
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character(len=65536) :: tag
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@ -559,21 +539,15 @@ end subroutine material_parseHomogenization
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!> @brief parses the microstructure part in the material configuration file
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!> @brief parses the microstructure part in the material configuration file
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseMicrostructure
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subroutine material_parseMicrostructure
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use prec, only: &
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dNeq
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use IO, only: &
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use IO, only: &
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IO_floatValue, &
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IO_floatValue, &
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IO_intValue, &
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IO_intValue, &
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IO_stringValue, &
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IO_stringValue, &
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IO_stringPos, &
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IO_stringPos, &
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IO_error
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IO_error
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use config, only: &
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config_microstructure, &
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microstructure_name
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use mesh, only: &
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use mesh, only: &
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theMesh
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theMesh
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implicit none
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character(len=65536), dimension(:), allocatable :: &
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character(len=65536), dimension(:), allocatable :: &
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strings
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strings
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integer(pInt), allocatable, dimension(:) :: chunkPos
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integer(pInt), allocatable, dimension(:) :: chunkPos
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@ -637,10 +611,7 @@ end subroutine material_parseMicrostructure
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!> @brief parses the crystallite part in the material configuration file
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!> @brief parses the crystallite part in the material configuration file
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseCrystallite
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subroutine material_parseCrystallite
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use config, only: &
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config_crystallite
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implicit none
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integer(pInt) :: c
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integer(pInt) :: c
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allocate(crystallite_Noutput(size(config_crystallite)),source=0_pInt)
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allocate(crystallite_Noutput(size(config_crystallite)),source=0_pInt)
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@ -659,10 +630,7 @@ subroutine material_parsePhase
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IO_error, &
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IO_error, &
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IO_getTag, &
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IO_getTag, &
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IO_stringValue
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IO_stringValue
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use config, only: &
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config_phase
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implicit none
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integer(pInt) :: sourceCtr, kinematicsCtr, stiffDegradationCtr, p
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integer(pInt) :: sourceCtr, kinematicsCtr, stiffDegradationCtr, p
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character(len=65536), dimension(:), allocatable :: str
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character(len=65536), dimension(:), allocatable :: str
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@ -785,23 +753,12 @@ end subroutine material_parsePhase
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!> @brief parses the texture part in the material configuration file
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!> @brief parses the texture part in the material configuration file
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseTexture
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subroutine material_parseTexture
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use prec, only: &
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dNeq
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use IO, only: &
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use IO, only: &
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IO_error, &
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IO_error, &
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IO_stringPos, &
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IO_stringPos, &
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IO_floatValue, &
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IO_floatValue, &
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IO_stringValue
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IO_stringValue
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use config, only: &
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config_deallocate, &
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config_texture
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use math, only: &
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inRad, &
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math_sampleRandomOri, &
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math_I3, &
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math_det33
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implicit none
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integer(pInt) :: section, gauss, j, t, i
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integer(pInt) :: section, gauss, j, t, i
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character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
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character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
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integer(pInt), dimension(:), allocatable :: chunkPos
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integer(pInt), dimension(:), allocatable :: chunkPos
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@ -880,7 +837,6 @@ subroutine material_allocatePlasticState(phase,NofMyPhase,&
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use numerics, only: &
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use numerics, only: &
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numerics_integrator
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numerics_integrator
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implicit none
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integer(pInt), intent(in) :: &
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integer(pInt), intent(in) :: &
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phase, &
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phase, &
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NofMyPhase, &
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NofMyPhase, &
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@ -928,7 +884,6 @@ subroutine material_allocateSourceState(phase,of,NofMyPhase,&
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use numerics, only: &
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use numerics, only: &
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numerics_integrator
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numerics_integrator
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implicit none
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integer(pInt), intent(in) :: &
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integer(pInt), intent(in) :: &
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phase, &
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phase, &
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of, &
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of, &
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@ -967,47 +922,15 @@ end subroutine material_allocateSourceState
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!! calculates the volume of the grains and deals with texture components
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!! calculates the volume of the grains and deals with texture components
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine material_populateGrains
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subroutine material_populateGrains
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use math, only: &
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math_EulertoR, &
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math_RtoEuler, &
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math_mul33x33, &
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math_range
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use mesh, only: &
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use mesh, only: &
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theMesh
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theMesh
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use config, only: &
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config_homogenization, &
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config_microstructure, &
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config_deallocate
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use IO, only: &
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IO_error
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implicit none
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integer(pInt), dimension (:,:), allocatable :: Ngrains
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integer(pInt), dimension (microstructure_maxNconstituents) :: &
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NgrainsOfConstituent, &
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currentGrainOfConstituent, &
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randomOrder
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real(pReal), dimension (microstructure_maxNconstituents) :: &
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rndArray
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real(pReal), dimension (:,:), allocatable :: orientationOfGrain
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real(pReal), dimension (3) :: orientation
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integer(pInt), dimension (:), allocatable :: phaseOfGrain, textureOfGrain
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integer(pInt) :: t,e,i,g,j,m,c,r,homog,micro,sgn,hme, &
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phaseID,textureID,dGrains,myNgrains,myNorientations,myNconstituents, &
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grain,constituentGrain,ipGrain,ip
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real(pReal) :: deviation,extreme,rnd
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integer(pInt), dimension (:,:), allocatable :: Nelems ! counts number of elements in homog, micro array
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type(group_int), dimension (:,:), allocatable :: elemsOfHomogMicro ! lists element number in homog, micro array
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integer(pInt) :: e,i,c,homog,micro
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allocate(material_phase(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
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allocate(material_phase(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
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allocate(material_texture(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
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allocate(material_texture(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
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allocate(material_EulerAngles(3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0.0_pReal)
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allocate(material_EulerAngles(3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0.0_pReal)
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allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt)
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allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
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do e = 1, theMesh%Nelems
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do e = 1, theMesh%Nelems
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do i = 1, theMesh%elem%nIPs
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do i = 1, theMesh%elem%nIPs
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homog = theMesh%homogenizationAt(e)
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homog = theMesh%homogenizationAt(e)
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@ -1026,209 +949,6 @@ subroutine material_populateGrains
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enddo
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enddo
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enddo
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enddo
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return
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!--------------------------------------------------------------------------------------------------
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! precounting of elements for each homog/micro pair
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do e = 1_pInt, theMesh%Nelems
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homog = theMesh%homogenizationAt(e)
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micro = theMesh%microstructureAt(e)
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Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt
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enddo
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allocate(elemsOfHomogMicro(size(config_homogenization),size(config_microstructure)))
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do homog = 1,size(config_homogenization)
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do micro = 1,size(config_microstructure)
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if (Nelems(homog,micro) > 0_pInt) then
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allocate(elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)))
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elemsOfHomogMicro(homog,micro)%p = 0_pInt
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endif
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enddo
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enddo
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!--------------------------------------------------------------------------------------------------
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! identify maximum grain count per IP (from element) and find grains per homog/micro pair
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Nelems = 0_pInt ! reuse as counter
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elementLooping: do e = 1_pInt,theMesh%Nelems
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homog = theMesh%homogenizationAt(e)
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micro = theMesh%microstructureAt(e)
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if (homog < 1_pInt .or. homog > size(config_homogenization)) & ! out of bounds
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call IO_error(154_pInt,e,0_pInt,0_pInt)
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if (micro < 1_pInt .or. micro > size(config_microstructure)) & ! out of bounds
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call IO_error(155_pInt,e,0_pInt,0_pInt)
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if (microstructure_elemhomo(micro)) then ! how many grains are needed at this element?
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dGrains = homogenization_Ngrains(homog) ! only one set of Ngrains (other IPs are plain copies)
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else
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dGrains = homogenization_Ngrains(homog) * theMesh%elem%nIPs ! each IP has Ngrains
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endif
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Ngrains(homog,micro) = Ngrains(homog,micro) + dGrains ! total grain count
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Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt ! total element count
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elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)) = e ! remember elements active in this homog/micro pair
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enddo elementLooping
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allocate(phaseOfGrain(maxval(Ngrains)), source=0_pInt) ! reserve memory for maximum case
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allocate(textureOfGrain(maxval(Ngrains)), source=0_pInt) ! reserve memory for maximum case
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allocate(orientationOfGrain(3,maxval(Ngrains)),source=0.0_pReal) ! reserve memory for maximum case
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homogenizationLoop: do homog = 1_pInt,size(config_homogenization)
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dGrains = homogenization_Ngrains(homog) ! grain number per material point
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microstructureLoop: do micro = 1_pInt,size(config_microstructure) ! all pairs of homog and micro
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activePair: if (Ngrains(homog,micro) > 0_pInt) then
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myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
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myNconstituents = microstructure_Nconstituents(micro) ! assign short name for number of constituents
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!--------------------------------------------------------------------------------------------------
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! divide myNgrains as best over constituents
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!
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! example: three constituents with fractions of 0.25, 0.25, and 0.5 distributed over 20 (microstructure) grains
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!
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! ***** ***** **********
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! NgrainsOfConstituent: 5, 5, 10
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! counters:
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! |-----> grain (if constituent == 2)
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! |--> constituentGrain (of constituent 2)
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!
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NgrainsOfConstituent = 0_pInt ! reset counter of grains per constituent
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forall (i = 1_pInt:myNconstituents) &
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NgrainsOfConstituent(i) = nint(microstructure_fraction(i,micro)*real(myNgrains,pReal),pInt)! do rounding integer conversion
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do while (sum(NgrainsOfConstituent) /= myNgrains) ! total grain count over constituents wrong?
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sgn = sign(1_pInt, myNgrains - sum(NgrainsOfConstituent)) ! direction of required change
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extreme = 0.0_pReal
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t = 0_pInt
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do i = 1_pInt,myNconstituents ! find largest deviator
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deviation = real(sgn,pReal)*log( microstructure_fraction(i,micro) / &
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!-------------------------------- &
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(real(NgrainsOfConstituent(i),pReal)/real(myNgrains,pReal) ) )
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if (deviation > extreme) then
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extreme = deviation
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t = i
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endif
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enddo
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NgrainsOfConstituent(t) = NgrainsOfConstituent(t) + sgn ! change that by one
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enddo
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!--------------------------------------------------------------------------------------------------
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! assign phase and texture info
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phaseOfGrain = 0_pInt
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textureOfGrain = 0_pInt
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orientationOfGrain = 0.0_pReal
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texture: do i = 1_pInt,myNconstituents ! loop over constituents
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grain = sum(NgrainsOfConstituent(1_pInt:i-1_pInt)) ! set microstructure grain index of current constituent
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! "grain" points to start of this constituent's grain population
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constituentGrain = 0_pInt ! constituent grain index
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phaseID = microstructure_phase(i,micro)
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textureID = microstructure_texture(i,micro)
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phaseOfGrain (grain+1_pInt:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
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textureOfGrain(grain+1_pInt:grain+NgrainsOfConstituent(i)) = textureID ! assign resp. texture
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myNorientations = ceiling(real(NgrainsOfConstituent(i),pReal)/1.0,pInt) ! max number of unique orientations (excl. symmetry)
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!--------------------------------------------------------------------------------------------------
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! has texture components
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gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
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do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
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orientationOfGrain(:,grain+constituentGrain+g) = texture_Gauss(1:3,t,textureID)
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enddo
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constituentGrain = &
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constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent
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enddo gauss
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!--------------------------------------------------------------------------------------------------
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! ...texture transformation
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do j = 1_pInt,myNorientations ! loop over each "real" orientation
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orientationOfGrain(1:3,grain+j) = math_RtoEuler( & ! translate back to Euler angles
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math_mul33x33( & ! pre-multiply
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math_EulertoR(orientationOfGrain(1:3,grain+j)), & ! face-value orientation
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texture_transformation(1:3,1:3,textureID) & ! and transformation matrix
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) &
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)
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enddo
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!--------------------------------------------------------------------------------------------------
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! shuffle grains within current constituent
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||||||
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do j = 1_pInt,NgrainsOfConstituent(i)-1_pInt ! walk thru grains of current constituent
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||||||
call random_number(rnd)
|
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||||||
t = nint(rnd*real(NgrainsOfConstituent(i)-j,pReal)+real(j,pReal)+0.5_pReal,pInt) ! select a grain in remaining list
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||||||
m = phaseOfGrain(grain+t) ! exchange current with random
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||||||
phaseOfGrain(grain+t) = phaseOfGrain(grain+j)
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||||||
phaseOfGrain(grain+j) = m
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||||||
m = textureOfGrain(grain+t) ! exchange current with random
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||||||
textureOfGrain(grain+t) = textureOfGrain(grain+j)
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||||||
textureOfGrain(grain+j) = m
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|
||||||
orientation = orientationOfGrain(1:3,grain+t) ! exchange current with random
|
|
||||||
orientationOfGrain(1:3,grain+t) = orientationOfGrain(1:3,grain+j)
|
|
||||||
orientationOfGrain(1:3,grain+j) = orientation
|
|
||||||
enddo
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||||||
|
|
||||||
enddo texture
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|
||||||
!< @todo calc fraction after weighing with volumePerGrain, exchange in MC steps to improve result (humbug at the moment)
|
|
||||||
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|
||||||
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|
||||||
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|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! distribute grains of all constituents as accurately as possible to given constituent fractions
|
|
||||||
|
|
||||||
ip = 0_pInt
|
|
||||||
currentGrainOfConstituent = 0_pInt
|
|
||||||
|
|
||||||
do hme = 1_pInt, Nelems(homog,micro)
|
|
||||||
e = elemsOfHomogMicro(homog,micro)%p(hme) ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
|
|
||||||
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
|
||||||
m = 1_pInt ! process only first IP
|
|
||||||
else
|
|
||||||
m = theMesh%elem%nIPs
|
|
||||||
endif
|
|
||||||
|
|
||||||
do i = 1_pInt, m ! loop over necessary IPs
|
|
||||||
ip = ip + 1_pInt ! keep track of total ip count
|
|
||||||
ipGrain = 0_pInt ! count number of grains assigned at this IP
|
|
||||||
randomOrder = math_range(microstructure_maxNconstituents) ! start out with ordered sequence of constituents
|
|
||||||
call random_number(rndArray) ! as many rnd numbers as (max) constituents
|
|
||||||
do j = 1_pInt, myNconstituents - 1_pInt ! loop over constituents ...
|
|
||||||
r = nint(rndArray(j)*real(myNconstituents-j,pReal)+real(j,pReal)+0.5_pReal,pInt) ! ... select one in remaining list
|
|
||||||
c = randomOrder(r) ! ... call it "c"
|
|
||||||
randomOrder(r) = randomOrder(j) ! ... and exchange with present position in constituent list
|
|
||||||
grain = sum(NgrainsOfConstituent(1:c-1_pInt)) ! figure out actual starting index in overall/consecutive grain population
|
|
||||||
do g = 1_pInt, min(dGrains-ipGrain, & ! leftover number of grains at this IP
|
|
||||||
max(0_pInt, & ! no negative values
|
|
||||||
nint(real(ip * dGrains * NgrainsOfConstituent(c)) / & ! fraction of grains scaled to this constituent...
|
|
||||||
real(myNgrains),pInt) - & ! ...minus those already distributed
|
|
||||||
currentGrainOfConstituent(c)))
|
|
||||||
ipGrain = ipGrain + 1_pInt ! advance IP grain counter
|
|
||||||
currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt ! advance index of grain population for constituent c
|
|
||||||
material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
|
|
||||||
material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
|
|
||||||
material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
c = randomOrder(microstructure_Nconstituents(micro)) ! look up constituent remaining after random shuffling
|
|
||||||
grain = sum(NgrainsOfConstituent(1:c-1_pInt)) ! figure out actual starting index in overall/consecutive grain population
|
|
||||||
do ipGrain = ipGrain + 1_pInt, dGrains ! ensure last constituent fills up to dGrains
|
|
||||||
currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt
|
|
||||||
material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
|
|
||||||
material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
|
|
||||||
material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
|
|
||||||
enddo
|
|
||||||
|
|
||||||
enddo
|
|
||||||
|
|
||||||
do i = i, theMesh%elem%nIPs ! loop over IPs to (possibly) distribute copies from first IP
|
|
||||||
material_phase (1_pInt:dGrains,i,e) = material_phase (1_pInt:dGrains,1,e)
|
|
||||||
material_texture(1_pInt:dGrains,i,e) = material_texture(1_pInt:dGrains,1,e)
|
|
||||||
material_EulerAngles(1:3,1_pInt:dGrains,i,e) = material_EulerAngles(1:3,1_pInt:dGrains,1,e)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
enddo
|
|
||||||
endif activePair
|
|
||||||
enddo microstructureLoop
|
|
||||||
enddo homogenizationLoop
|
|
||||||
|
|
||||||
deallocate(texture_transformation)
|
deallocate(texture_transformation)
|
||||||
|
|
||||||
call config_deallocate('material.config/microstructure')
|
call config_deallocate('material.config/microstructure')
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue