829 lines
44 KiB
Fortran
829 lines
44 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Denny Tjahjanto, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief homogenization manager, organizing deformation partitioning and stress homogenization
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!--------------------------------------------------------------------------------------------------
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module homogenization
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use prec
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use IO
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use config
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use debug
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use math
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use material
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use numerics
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use constitutive
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use crystallite
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use FEsolving
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use discretization
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use thermal_isothermal
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use thermal_adiabatic
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use thermal_conduction
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use damage_none
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use damage_local
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use damage_nonlocal
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use results
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use HDF5_utilities
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implicit none
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private
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!--------------------------------------------------------------------------------------------------
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! General variables for the homogenization at a material point
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real(pReal), dimension(:,:,:,:), allocatable, public :: &
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materialpoint_F0, & !< def grad of IP at start of FE increment
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materialpoint_F, & !< def grad of IP to be reached at end of FE increment
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materialpoint_P !< first P--K stress of IP
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real(pReal), dimension(:,:,:,:,:,:), allocatable, public :: &
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materialpoint_dPdF !< tangent of first P--K stress at IP
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real(pReal), dimension(:,:,:), allocatable, public :: &
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materialpoint_results !< results array of material point
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integer, public, protected :: &
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materialpoint_sizeResults, &
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thermal_maxSizePostResults, &
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damage_maxSizePostResults
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real(pReal), dimension(:,:,:,:), allocatable :: &
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materialpoint_subF0, & !< def grad of IP at beginning of homogenization increment
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materialpoint_subF !< def grad of IP to be reached at end of homog inc
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real(pReal), dimension(:,:), allocatable :: &
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materialpoint_subFrac, &
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materialpoint_subStep, &
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materialpoint_subdt
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logical, dimension(:,:), allocatable :: &
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materialpoint_requested, &
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materialpoint_converged
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logical, dimension(:,:,:), allocatable :: &
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materialpoint_doneAndHappy
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interface
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module subroutine mech_none_init
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end subroutine mech_none_init
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module subroutine mech_isostrain_init
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end subroutine mech_isostrain_init
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module subroutine mech_RGC_init
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end subroutine mech_RGC_init
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module subroutine mech_isostrain_partitionDeformation(F,avgF)
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real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
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real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
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end subroutine mech_isostrain_partitionDeformation
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module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
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real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
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real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
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integer, intent(in) :: &
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instance, &
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of
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end subroutine mech_RGC_partitionDeformation
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module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
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real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
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real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
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real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
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real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
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integer, intent(in) :: instance
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end subroutine mech_isostrain_averageStressAndItsTangent
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module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
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real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
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real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
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real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
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real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
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integer, intent(in) :: instance
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end subroutine mech_RGC_averageStressAndItsTangent
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module function mech_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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logical, dimension(2) :: mech_RGC_updateState
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real(pReal), dimension(:,:,:), intent(in) :: &
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P,& !< partitioned stresses
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F,& !< partitioned deformation gradients
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F0 !< partitioned initial deformation gradients
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real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
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real(pReal), dimension(3,3), intent(in) :: avgF !< average F
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real(pReal), intent(in) :: dt !< time increment
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integer, intent(in) :: &
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ip, & !< integration point number
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el !< element number
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end function mech_RGC_updateState
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module subroutine mech_RGC_results(instance,group)
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integer, intent(in) :: instance !< homogenization instance
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character(len=*), intent(in) :: group !< group name in HDF5 file
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end subroutine mech_RGC_results
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end interface
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public :: &
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homogenization_init, &
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materialpoint_stressAndItsTangent, &
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materialpoint_postResults, &
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homogenization_results
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief module initialization
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!--------------------------------------------------------------------------------------------------
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subroutine homogenization_init
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integer, parameter :: FILEUNIT = 200
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integer :: e,i,p
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integer, dimension(:,:), pointer :: thisSize
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integer, dimension(:) , pointer :: thisNoutput
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character(len=64), dimension(:,:), pointer :: thisOutput
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character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
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logical :: valid
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if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call mech_none_init
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if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mech_isostrain_init
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if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call mech_RGC_init
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if (any(thermal_type == THERMAL_isothermal_ID)) call thermal_isothermal_init
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if (any(thermal_type == THERMAL_adiabatic_ID)) call thermal_adiabatic_init
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if (any(thermal_type == THERMAL_conduction_ID)) call thermal_conduction_init
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if (any(damage_type == DAMAGE_none_ID)) call damage_none_init
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if (any(damage_type == DAMAGE_local_ID)) call damage_local_init
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if (any(damage_type == DAMAGE_nonlocal_ID)) call damage_nonlocal_init
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!--------------------------------------------------------------------------------------------------
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! write description file for homogenization output
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mainProcess: if (worldrank == 0) then
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call IO_write_jobFile(FILEUNIT,'outputHomogenization')
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do p = 1,size(config_homogenization)
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if (any(material_homogenizationAt == p)) then
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write(FILEUNIT,'(/,a,/)') '['//trim(config_name_homogenization(p))//']'
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write(FILEUNIT,'(a)') '(type) n/a'
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write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
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i = thermal_typeInstance(p) ! which instance of this thermal type
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valid = .true. ! assume valid
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select case(thermal_type(p)) ! split per thermal type
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case (THERMAL_isothermal_ID)
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outputName = THERMAL_isothermal_label
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thisNoutput => null()
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thisOutput => null()
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thisSize => null()
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case (THERMAL_adiabatic_ID)
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outputName = THERMAL_adiabatic_label
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thisNoutput => thermal_adiabatic_Noutput
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thisOutput => thermal_adiabatic_output
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thisSize => thermal_adiabatic_sizePostResult
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case (THERMAL_conduction_ID)
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outputName = THERMAL_conduction_label
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thisNoutput => thermal_conduction_Noutput
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thisOutput => thermal_conduction_output
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thisSize => thermal_conduction_sizePostResult
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case default
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valid = .false.
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end select
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if (valid) then
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write(FILEUNIT,'(a)') '(thermal)'//char(9)//trim(outputName)
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if (thermal_type(p) /= THERMAL_isothermal_ID) then
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do e = 1,thisNoutput(i)
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write(FILEUNIT,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
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enddo
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endif
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endif
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i = damage_typeInstance(p) ! which instance of this damage type
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valid = .true. ! assume valid
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select case(damage_type(p)) ! split per damage type
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case (DAMAGE_none_ID)
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outputName = DAMAGE_none_label
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thisNoutput => null()
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thisOutput => null()
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thisSize => null()
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case (DAMAGE_local_ID)
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outputName = DAMAGE_local_label
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thisNoutput => damage_local_Noutput
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thisOutput => damage_local_output
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thisSize => damage_local_sizePostResult
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case (DAMAGE_nonlocal_ID)
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outputName = DAMAGE_nonlocal_label
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thisNoutput => damage_nonlocal_Noutput
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thisOutput => damage_nonlocal_output
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thisSize => damage_nonlocal_sizePostResult
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case default
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valid = .false.
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end select
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if (valid) then
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write(FILEUNIT,'(a)') '(damage)'//char(9)//trim(outputName)
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if (damage_type(p) /= DAMAGE_none_ID) then
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do e = 1,thisNoutput(i)
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write(FILEUNIT,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
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enddo
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endif
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endif
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endif
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enddo
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close(FILEUNIT)
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endif mainProcess
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call config_deallocate('material.config/homogenization')
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!--------------------------------------------------------------------------------------------------
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! allocate and initialize global variables
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allocate(materialpoint_dPdF(3,3,3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
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allocate(materialpoint_F0(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
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materialpoint_F0 = spread(spread(math_I3,3,discretization_nIP),4,discretization_nElem) ! initialize to identity
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allocate(materialpoint_F(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
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materialpoint_F = materialpoint_F0 ! initialize to identity
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allocate(materialpoint_subF0(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
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allocate(materialpoint_subF(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
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allocate(materialpoint_P(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
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allocate(materialpoint_subFrac(discretization_nIP,discretization_nElem), source=0.0_pReal)
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allocate(materialpoint_subStep(discretization_nIP,discretization_nElem), source=0.0_pReal)
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allocate(materialpoint_subdt(discretization_nIP,discretization_nElem), source=0.0_pReal)
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allocate(materialpoint_requested(discretization_nIP,discretization_nElem), source=.false.)
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allocate(materialpoint_converged(discretization_nIP,discretization_nElem), source=.true.)
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allocate(materialpoint_doneAndHappy(2,discretization_nIP,discretization_nElem), source=.true.)
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!--------------------------------------------------------------------------------------------------
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! allocate and initialize global state and postresutls variables
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thermal_maxSizePostResults = 0
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damage_maxSizePostResults = 0
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do p = 1,size(config_homogenization)
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thermal_maxSizePostResults = max(thermal_maxSizePostResults, thermalState (p)%sizePostResults)
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damage_maxSizePostResults = max(damage_maxSizePostResults ,damageState (p)%sizePostResults)
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enddo
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materialpoint_sizeResults = 1 & ! grain count
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+ 1 + thermal_maxSizePostResults &
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+ damage_maxSizePostResults &
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+ homogenization_maxNgrains * ( 1 & ! crystallite size
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+ 1 + constitutive_source_maxSizePostResults)
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allocate(materialpoint_results(materialpoint_sizeResults,discretization_nIP,discretization_nElem))
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write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
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if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0) then
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_dPdF: ', shape(materialpoint_dPdF)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F0: ', shape(materialpoint_F0)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F: ', shape(materialpoint_F)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subF0: ', shape(materialpoint_subF0)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subF: ', shape(materialpoint_subF)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_P: ', shape(materialpoint_P)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subFrac: ', shape(materialpoint_subFrac)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subStep: ', shape(materialpoint_subStep)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subdt: ', shape(materialpoint_subdt)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_requested: ', shape(materialpoint_requested)
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write(6,'(a32,1x,7(i8,1x))') 'materialpoint_converged: ', shape(materialpoint_converged)
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write(6,'(a32,1x,7(i8,1x),/)') 'materialpoint_doneAndHappy: ', shape(materialpoint_doneAndHappy)
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endif
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flush(6)
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if (debug_g < 1 .or. debug_g > homogenization_Ngrains(material_homogenizationAt(debug_e))) &
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call IO_error(602,ext_msg='constituent', el=debug_e, g=debug_g)
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end subroutine homogenization_init
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!--------------------------------------------------------------------------------------------------
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!> @brief parallelized calculation of stress and corresponding tangent at material points
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!--------------------------------------------------------------------------------------------------
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subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
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real(pReal), intent(in) :: dt !< time increment
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logical, intent(in) :: updateJaco !< initiating Jacobian update
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integer :: &
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NiterationHomog, &
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NiterationMPstate, &
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g, & !< grain number
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i, & !< integration point number
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e, & !< element number
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mySource, &
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myNgrains
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#ifdef DEBUG
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if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0) then
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write(6,'(/a,i5,1x,i2)') '<< HOMOG >> Material Point start at el ip ', debug_e, debug_i
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write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F0', &
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transpose(materialpoint_F0(1:3,1:3,debug_i,debug_e))
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write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F', &
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transpose(materialpoint_F(1:3,1:3,debug_i,debug_e))
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endif
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#endif
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!--------------------------------------------------------------------------------------------------
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! initialize restoration points of ...
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Ngrains(material_homogenizationAt(e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e);
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do g = 1,myNgrains
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plasticState (material_phaseAt(g,e))%partionedState0(:,material_phasememberAt(g,i,e)) = &
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plasticState (material_phaseAt(g,e))%state0( :,material_phasememberAt(g,i,e))
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do mySource = 1, phase_Nsources(material_phaseAt(g,e))
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sourceState(material_phaseAt(g,e))%p(mySource)%partionedState0(:,material_phasememberAt(g,i,e)) = &
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sourceState(material_phaseAt(g,e))%p(mySource)%state0( :,material_phasememberAt(g,i,e))
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enddo
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crystallite_partionedFp0(1:3,1:3,g,i,e) = crystallite_Fp0(1:3,1:3,g,i,e)
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crystallite_partionedLp0(1:3,1:3,g,i,e) = crystallite_Lp0(1:3,1:3,g,i,e)
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crystallite_partionedFi0(1:3,1:3,g,i,e) = crystallite_Fi0(1:3,1:3,g,i,e)
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crystallite_partionedLi0(1:3,1:3,g,i,e) = crystallite_Li0(1:3,1:3,g,i,e)
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crystallite_partionedF0(1:3,1:3,g,i,e) = crystallite_F0(1:3,1:3,g,i,e)
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crystallite_partionedS0(1:3,1:3,g,i,e) = crystallite_S0(1:3,1:3,g,i,e)
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enddo
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materialpoint_subF0(1:3,1:3,i,e) = materialpoint_F0(1:3,1:3,i,e)
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materialpoint_subFrac(i,e) = 0.0_pReal
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materialpoint_subStep(i,e) = 1.0_pReal/subStepSizeHomog ! <<added to adopt flexibility in cutback size>>
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materialpoint_converged(i,e) = .false. ! pretend failed step of twice the required size
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materialpoint_requested(i,e) = .true. ! everybody requires calculation
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if (homogState(material_homogenizationAt(e))%sizeState > 0) &
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homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
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homogState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal homogenization state
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if (thermalState(material_homogenizationAt(e))%sizeState > 0) &
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thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
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thermalState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal thermal state
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if (damageState(material_homogenizationAt(e))%sizeState > 0) &
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damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
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damageState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal damage state
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enddo
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enddo
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NiterationHomog = 0
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cutBackLooping: do while (.not. terminallyIll .and. &
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any(materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMinHomog))
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!$OMP PARALLEL DO PRIVATE(myNgrains)
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elementLooping1: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Ngrains(material_homogenizationAt(e))
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IpLooping1: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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converged: if (materialpoint_converged(i,e)) then
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#ifdef DEBUG
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if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0 &
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.and. ((e == debug_e .and. i == debug_i) &
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.or. .not. iand(debug_level(debug_homogenization),debug_levelSelective) /= 0)) then
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write(6,'(a,1x,f12.8,1x,a,1x,f12.8,1x,a,i8,1x,i2/)') '<< HOMOG >> winding forward from', &
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materialpoint_subFrac(i,e), 'to current materialpoint_subFrac', &
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materialpoint_subFrac(i,e)+materialpoint_subStep(i,e),'in materialpoint_stressAndItsTangent at el ip',e,i
|
|
endif
|
|
#endif
|
|
|
|
!---------------------------------------------------------------------------------------------------
|
|
! calculate new subStep and new subFrac
|
|
materialpoint_subFrac(i,e) = materialpoint_subFrac(i,e) + materialpoint_subStep(i,e)
|
|
materialpoint_subStep(i,e) = min(1.0_pReal-materialpoint_subFrac(i,e), &
|
|
stepIncreaseHomog*materialpoint_subStep(i,e)) ! introduce flexibility for step increase/acceleration
|
|
|
|
steppingNeeded: if (materialpoint_subStep(i,e) > subStepMinHomog) then
|
|
|
|
! wind forward grain starting point of...
|
|
crystallite_partionedF0 (1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_partionedF(1:3,1:3,1:myNgrains,i,e)
|
|
|
|
crystallite_partionedFp0 (1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_Fp (1:3,1:3,1:myNgrains,i,e)
|
|
|
|
crystallite_partionedLp0 (1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_Lp (1:3,1:3,1:myNgrains,i,e)
|
|
|
|
crystallite_partionedFi0 (1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_Fi (1:3,1:3,1:myNgrains,i,e)
|
|
|
|
crystallite_partionedLi0 (1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_Li (1:3,1:3,1:myNgrains,i,e)
|
|
|
|
crystallite_partionedS0 (1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_S (1:3,1:3,1:myNgrains,i,e)
|
|
|
|
do g = 1,myNgrains
|
|
plasticState (material_phaseAt(g,e))%partionedState0(:,material_phasememberAt(g,i,e)) = &
|
|
plasticState (material_phaseAt(g,e))%state (:,material_phasememberAt(g,i,e))
|
|
do mySource = 1, phase_Nsources(material_phaseAt(g,e))
|
|
sourceState(material_phaseAt(g,e))%p(mySource)%partionedState0(:,material_phasememberAt(g,i,e)) = &
|
|
sourceState(material_phaseAt(g,e))%p(mySource)%state (:,material_phasememberAt(g,i,e))
|
|
enddo
|
|
enddo
|
|
|
|
if(homogState(material_homogenizationAt(e))%sizeState > 0) &
|
|
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
|
homogState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e))
|
|
if(thermalState(material_homogenizationAt(e))%sizeState > 0) &
|
|
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
|
thermalState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e))
|
|
if(damageState(material_homogenizationAt(e))%sizeState > 0) &
|
|
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
|
damageState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e))
|
|
|
|
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_subF(1:3,1:3,i,e)
|
|
|
|
endif steppingNeeded
|
|
|
|
else converged
|
|
if ( (myNgrains == 1 .and. materialpoint_subStep(i,e) <= 1.0 ) .or. & ! single grain already tried internal subStepping in crystallite
|
|
subStepSizeHomog * materialpoint_subStep(i,e) <= subStepMinHomog ) then ! would require too small subStep
|
|
! cutback makes no sense
|
|
!$OMP FLUSH(terminallyIll)
|
|
if (.not. terminallyIll) then ! so first signals terminally ill...
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*) 'Integration point ', i,' at element ', e, ' terminally ill'
|
|
!$OMP END CRITICAL (write2out)
|
|
endif
|
|
!$OMP CRITICAL (setTerminallyIll)
|
|
terminallyIll = .true. ! ...and kills all others
|
|
!$OMP END CRITICAL (setTerminallyIll)
|
|
else ! cutback makes sense
|
|
materialpoint_subStep(i,e) = subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
|
|
|
|
#ifdef DEBUG
|
|
if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0 &
|
|
.and. ((e == debug_e .and. i == debug_i) &
|
|
.or. .not. iand(debug_level(debug_homogenization), debug_levelSelective) /= 0)) then
|
|
write(6,'(a,1x,f12.8,a,i8,1x,i2/)') &
|
|
'<< HOMOG >> cutback step in materialpoint_stressAndItsTangent with new materialpoint_subStep:',&
|
|
materialpoint_subStep(i,e),' at el ip',e,i
|
|
endif
|
|
#endif
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! restore...
|
|
if (materialpoint_subStep(i,e) < 1.0_pReal) then ! protect against fake cutback from \Delta t = 2 to 1. Maybe that "trick" is not necessary anymore at all? I.e. start with \Delta t = 1
|
|
crystallite_Lp(1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e)
|
|
crystallite_Li(1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_partionedLi0(1:3,1:3,1:myNgrains,i,e)
|
|
endif ! maybe protecting everything from overwriting (not only L) makes even more sense
|
|
crystallite_Fp(1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_partionedFp0(1:3,1:3,1:myNgrains,i,e)
|
|
crystallite_Fi(1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_partionedFi0(1:3,1:3,1:myNgrains,i,e)
|
|
crystallite_S(1:3,1:3,1:myNgrains,i,e) = &
|
|
crystallite_partionedS0(1:3,1:3,1:myNgrains,i,e)
|
|
do g = 1, myNgrains
|
|
plasticState (material_phaseAt(g,e))%state( :,material_phasememberAt(g,i,e)) = &
|
|
plasticState (material_phaseAt(g,e))%partionedState0(:,material_phasememberAt(g,i,e))
|
|
do mySource = 1, phase_Nsources(material_phaseAt(g,e))
|
|
sourceState(material_phaseAt(g,e))%p(mySource)%state( :,material_phasememberAt(g,i,e)) = &
|
|
sourceState(material_phaseAt(g,e))%p(mySource)%partionedState0(:,material_phasememberAt(g,i,e))
|
|
enddo
|
|
enddo
|
|
if(homogState(material_homogenizationAt(e))%sizeState > 0) &
|
|
homogState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
|
|
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e))
|
|
if(thermalState(material_homogenizationAt(e))%sizeState > 0) &
|
|
thermalState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
|
|
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e))
|
|
if(damageState(material_homogenizationAt(e))%sizeState > 0) &
|
|
damageState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
|
|
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e))
|
|
endif
|
|
endif converged
|
|
|
|
if (materialpoint_subStep(i,e) > subStepMinHomog) then
|
|
materialpoint_requested(i,e) = .true.
|
|
materialpoint_subF(1:3,1:3,i,e) = materialpoint_subF0(1:3,1:3,i,e) &
|
|
+ materialpoint_subStep(i,e) * (materialpoint_F(1:3,1:3,i,e) &
|
|
- materialpoint_F0(1:3,1:3,i,e))
|
|
materialpoint_subdt(i,e) = materialpoint_subStep(i,e) * dt
|
|
materialpoint_doneAndHappy(1:2,i,e) = [.false.,.true.]
|
|
endif
|
|
enddo IpLooping1
|
|
enddo elementLooping1
|
|
!$OMP END PARALLEL DO
|
|
|
|
NiterationMPstate = 0
|
|
|
|
convergenceLooping: do while (.not. terminallyIll .and. &
|
|
any( materialpoint_requested(:,FEsolving_execELem(1):FEsolving_execElem(2)) &
|
|
.and. .not. materialpoint_doneAndHappy(1,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
|
|
) .and. &
|
|
NiterationMPstate < nMPstate)
|
|
NiterationMPstate = NiterationMPstate + 1
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! deformation partitioning
|
|
! based on materialpoint_subF0,.._subF,crystallite_partionedF0, and homogenization_state,
|
|
! results in crystallite_partionedF
|
|
!$OMP PARALLEL DO PRIVATE(myNgrains)
|
|
elementLooping2: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
myNgrains = homogenization_Ngrains(material_homogenizationAt(e))
|
|
IpLooping2: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
|
if ( materialpoint_requested(i,e) .and. & ! process requested but...
|
|
.not. materialpoint_doneAndHappy(1,i,e)) then ! ...not yet done material points
|
|
call partitionDeformation(i,e) ! partition deformation onto constituents
|
|
crystallite_dt(1:myNgrains,i,e) = materialpoint_subdt(i,e) ! propagate materialpoint dt to grains
|
|
crystallite_requested(1:myNgrains,i,e) = .true. ! request calculation for constituents
|
|
else
|
|
crystallite_requested(1:myNgrains,i,e) = .false. ! calculation for constituents not required anymore
|
|
endif
|
|
enddo IpLooping2
|
|
enddo elementLooping2
|
|
!$OMP END PARALLEL DO
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! crystallite integration
|
|
! based on crystallite_partionedF0,.._partionedF
|
|
! incrementing by crystallite_dt
|
|
|
|
materialpoint_converged = crystallite_stress() !ToDo: MD not sure if that is the best logic
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! state update
|
|
!$OMP PARALLEL DO
|
|
elementLooping3: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
IpLooping3: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
|
if ( materialpoint_requested(i,e) .and. &
|
|
.not. materialpoint_doneAndHappy(1,i,e)) then
|
|
if (.not. materialpoint_converged(i,e)) then
|
|
materialpoint_doneAndHappy(1:2,i,e) = [.true.,.false.]
|
|
else
|
|
materialpoint_doneAndHappy(1:2,i,e) = updateState(i,e)
|
|
materialpoint_converged(i,e) = all(materialpoint_doneAndHappy(1:2,i,e)) ! converged if done and happy
|
|
endif
|
|
endif
|
|
enddo IpLooping3
|
|
enddo elementLooping3
|
|
!$OMP END PARALLEL DO
|
|
|
|
enddo convergenceLooping
|
|
|
|
NiterationHomog = NiterationHomog + 1
|
|
|
|
enddo cutBackLooping
|
|
|
|
if(updateJaco) call crystallite_stressTangent
|
|
|
|
if (.not. terminallyIll ) then
|
|
call crystallite_orientations() ! calculate crystal orientations
|
|
!$OMP PARALLEL DO
|
|
elementLooping4: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
IpLooping4: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
|
call averageStressAndItsTangent(i,e)
|
|
enddo IpLooping4
|
|
enddo elementLooping4
|
|
!$OMP END PARALLEL DO
|
|
else
|
|
write(6,'(/,a,/)') '<< HOMOG >> Material Point terminally ill'
|
|
endif
|
|
|
|
end subroutine materialpoint_stressAndItsTangent
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief parallelized calculation of result array at material points
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine materialpoint_postResults
|
|
|
|
integer :: &
|
|
thePos, &
|
|
theSize, &
|
|
myNgrains, &
|
|
g, & !< grain number
|
|
i, & !< integration point number
|
|
e !< element number
|
|
|
|
!$OMP PARALLEL DO PRIVATE(myNgrains,thePos,theSize)
|
|
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
myNgrains = homogenization_Ngrains(material_homogenizationAt(e))
|
|
IpLooping: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
|
thePos = 0
|
|
|
|
theSize = thermalState (material_homogenizationAt(e))%sizePostResults &
|
|
+ damageState (material_homogenizationAt(e))%sizePostResults
|
|
materialpoint_results(thePos+1,i,e) = real(theSize,pReal) ! tell size of homogenization results
|
|
thePos = thePos + 1
|
|
|
|
if (theSize > 0) then ! any homogenization results to mention?
|
|
materialpoint_results(thePos+1:thePos+theSize,i,e) = postResults(i,e)
|
|
thePos = thePos + theSize
|
|
endif
|
|
|
|
materialpoint_results(thePos+1,i,e) = real(myNgrains,pReal) ! tell number of grains at materialpoint
|
|
thePos = thePos + 1
|
|
|
|
grainLooping :do g = 1,myNgrains
|
|
theSize = 1 + &
|
|
1 + plasticState (material_phaseAt(g,e))%sizePostResults + &
|
|
sum(sourceState(material_phaseAt(g,e))%p(:)%sizePostResults)
|
|
materialpoint_results(thePos+1:thePos+theSize,i,e) = crystallite_postResults(g,i,e) ! tell crystallite results
|
|
thePos = thePos + theSize
|
|
enddo grainLooping
|
|
enddo IpLooping
|
|
enddo elementLooping
|
|
!$OMP END PARALLEL DO
|
|
|
|
end subroutine materialpoint_postResults
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief partition material point def grad onto constituents
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine partitionDeformation(ip,el)
|
|
|
|
integer, intent(in) :: &
|
|
ip, & !< integration point
|
|
el !< element number
|
|
|
|
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
|
|
|
|
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
|
|
crystallite_partionedF(1:3,1:3,1,ip,el) = materialpoint_subF(1:3,1:3,ip,el)
|
|
|
|
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
|
|
call mech_isostrain_partitionDeformation(&
|
|
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
|
|
materialpoint_subF(1:3,1:3,ip,el))
|
|
|
|
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
|
call mech_RGC_partitionDeformation(&
|
|
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
|
|
materialpoint_subF(1:3,1:3,ip,el),&
|
|
ip, &
|
|
el)
|
|
end select chosenHomogenization
|
|
|
|
end subroutine partitionDeformation
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief update the internal state of the homogenization scheme and tell whether "done" and
|
|
!> "happy" with result
|
|
!--------------------------------------------------------------------------------------------------
|
|
function updateState(ip,el)
|
|
|
|
integer, intent(in) :: &
|
|
ip, & !< integration point
|
|
el !< element number
|
|
logical, dimension(2) :: updateState
|
|
|
|
updateState = .true.
|
|
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
|
|
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
|
updateState = &
|
|
updateState .and. &
|
|
mech_RGC_updateState(crystallite_P(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
|
|
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
|
|
crystallite_partionedF0(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el),&
|
|
materialpoint_subF(1:3,1:3,ip,el),&
|
|
materialpoint_subdt(ip,el), &
|
|
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
|
|
ip, &
|
|
el)
|
|
end select chosenHomogenization
|
|
|
|
chosenThermal: select case (thermal_type(material_homogenizationAt(el)))
|
|
case (THERMAL_adiabatic_ID) chosenThermal
|
|
updateState = &
|
|
updateState .and. &
|
|
thermal_adiabatic_updateState(materialpoint_subdt(ip,el), &
|
|
ip, &
|
|
el)
|
|
end select chosenThermal
|
|
|
|
chosenDamage: select case (damage_type(material_homogenizationAt(el)))
|
|
case (DAMAGE_local_ID) chosenDamage
|
|
updateState = &
|
|
updateState .and. &
|
|
damage_local_updateState(materialpoint_subdt(ip,el), &
|
|
ip, &
|
|
el)
|
|
end select chosenDamage
|
|
|
|
end function updateState
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief derive average stress and stiffness from constituent quantities
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine averageStressAndItsTangent(ip,el)
|
|
|
|
integer, intent(in) :: &
|
|
ip, & !< integration point
|
|
el !< element number
|
|
|
|
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
|
|
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
|
|
materialpoint_P(1:3,1:3,ip,el) = crystallite_P(1:3,1:3,1,ip,el)
|
|
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el) = crystallite_dPdF(1:3,1:3,1:3,1:3,1,ip,el)
|
|
|
|
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
|
|
call mech_isostrain_averageStressAndItsTangent(&
|
|
materialpoint_P(1:3,1:3,ip,el), &
|
|
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
|
|
crystallite_P(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
|
|
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
|
|
homogenization_typeInstance(material_homogenizationAt(el)))
|
|
|
|
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
|
call mech_RGC_averageStressAndItsTangent(&
|
|
materialpoint_P(1:3,1:3,ip,el), &
|
|
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
|
|
crystallite_P(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
|
|
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
|
|
homogenization_typeInstance(material_homogenizationAt(el)))
|
|
end select chosenHomogenization
|
|
|
|
end subroutine averageStressAndItsTangent
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief return array of homogenization results for post file inclusion. call only,
|
|
!> if homogenization_sizePostResults(i,e) > 0 !!
|
|
!--------------------------------------------------------------------------------------------------
|
|
function postResults(ip,el)
|
|
|
|
integer, intent(in) :: &
|
|
ip, & !< integration point
|
|
el !< element number
|
|
real(pReal), dimension( thermalState (material_homogenizationAt(el))%sizePostResults &
|
|
+ damageState (material_homogenizationAt(el))%sizePostResults) :: &
|
|
postResults
|
|
integer :: &
|
|
startPos, endPos ,&
|
|
homog
|
|
|
|
|
|
postResults = 0.0_pReal
|
|
startPos = 1
|
|
endPos = thermalState(material_homogenizationAt(el))%sizePostResults
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chosenThermal: select case (thermal_type(material_homogenizationAt(el)))
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case (THERMAL_adiabatic_ID) chosenThermal
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homog = material_homogenizationAt(el)
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postResults(startPos:endPos) = &
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thermal_adiabatic_postResults(homog,thermal_typeInstance(homog),thermalMapping(homog)%p(ip,el))
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case (THERMAL_conduction_ID) chosenThermal
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homog = material_homogenizationAt(el)
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postResults(startPos:endPos) = &
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thermal_conduction_postResults(homog,thermal_typeInstance(homog),thermalMapping(homog)%p(ip,el))
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|
|
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end select chosenThermal
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|
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startPos = endPos + 1
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endPos = endPos + damageState(material_homogenizationAt(el))%sizePostResults
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chosenDamage: select case (damage_type(material_homogenizationAt(el)))
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|
|
|
case (DAMAGE_local_ID) chosenDamage
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|
postResults(startPos:endPos) = damage_local_postResults(ip, el)
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|
case (DAMAGE_nonlocal_ID) chosenDamage
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|
postResults(startPos:endPos) = damage_nonlocal_postResults(ip, el)
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|
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|
end select chosenDamage
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|
|
|
end function postResults
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|
|
|
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!--------------------------------------------------------------------------------------------------
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!> @brief writes homogenization results to HDF5 output file
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!--------------------------------------------------------------------------------------------------
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subroutine homogenization_results
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#if defined(PETSc) || defined(DAMASK_HDF5)
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use material, only: &
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|
material_homogenization_type => homogenization_type
|
|
|
|
integer :: p
|
|
character(len=256) :: group
|
|
|
|
!real(pReal), dimension(:,:,:), allocatable :: temp
|
|
|
|
do p=1,size(config_name_homogenization)
|
|
group = trim('current/materialpoint')//'/'//trim(config_name_homogenization(p))
|
|
call HDF5_closeGroup(results_addGroup(group))
|
|
|
|
group = trim(group)//'/mech'
|
|
|
|
call HDF5_closeGroup(results_addGroup(group))
|
|
select case(material_homogenization_type(p))
|
|
case(HOMOGENIZATION_rgc_ID)
|
|
call mech_RGC_results(homogenization_typeInstance(p),group)
|
|
end select
|
|
|
|
group = trim('current/materialpoint')//'/'//trim(config_name_homogenization(p))//'/generic'
|
|
call HDF5_closeGroup(results_addGroup(group))
|
|
|
|
!temp = reshape(materialpoint_F,[3,3,discretization_nIP*discretization_nElem])
|
|
!call results_writeDataset(group,temp,'F',&
|
|
! 'deformation gradient','1')
|
|
!temp = reshape(materialpoint_P,[3,3,discretization_nIP*discretization_nElem])
|
|
!call results_writeDataset(group,temp,'P',&
|
|
! '1st Piola-Kirchoff stress','Pa')
|
|
|
|
enddo
|
|
#endif
|
|
end subroutine homogenization_results
|
|
|
|
end module homogenization
|