373 lines
13 KiB
Fortran
373 lines
13 KiB
Fortran
|
!--------------------------------------------------------------------------------------------------
|
||
|
|
! $Id: CPFEM.f90 4761 2016-01-17 13:29:42Z MPIE\m.diehl $
|
||
|
|
!--------------------------------------------------------------------------------------------------
|
||
|
|
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
|
||
|
|
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
||
|
|
!> @brief needs a good name and description
|
||
|
|
!--------------------------------------------------------------------------------------------------
|
||
|
|
module CPFEM2
|
||
|
|
use prec, only: &
|
||
|
|
pReal, &
|
||
|
|
pInt
|
||
|
|
|
||
|
|
implicit none
|
||
|
|
private
|
||
|
|
|
||
|
|
logical, public, protected :: &
|
||
|
|
CPFEM_init_done = .false. !< remember whether init has been done already
|
||
|
|
|
||
|
|
public :: &
|
||
|
|
CPFEM_general, &
|
||
|
|
CPFEM_initAll
|
||
|
|
|
||
|
|
contains
|
||
|
|
|
||
|
|
|
||
|
|
!--------------------------------------------------------------------------------------------------
|
||
|
|
!> @brief call (thread safe) all module initializations
|
||
|
|
!--------------------------------------------------------------------------------------------------
|
||
|
|
subroutine CPFEM_initAll(el,ip)
|
||
|
|
use prec, only: &
|
||
|
|
prec_init
|
||
|
|
use numerics, only: &
|
||
|
|
numerics_init
|
||
|
|
use debug, only: &
|
||
|
|
debug_init
|
||
|
|
use FEsolving, only: &
|
||
|
|
FE_init
|
||
|
|
use math, only: &
|
||
|
|
math_init
|
||
|
|
use mesh, only: &
|
||
|
|
mesh_init
|
||
|
|
use lattice, only: &
|
||
|
|
lattice_init
|
||
|
|
use material, only: &
|
||
|
|
material_init
|
||
|
|
use constitutive, only: &
|
||
|
|
constitutive_init
|
||
|
|
use crystallite, only: &
|
||
|
|
crystallite_init
|
||
|
|
use homogenization, only: &
|
||
|
|
homogenization_init
|
||
|
|
use IO, only: &
|
||
|
|
IO_init
|
||
|
|
use DAMASK_interface
|
||
|
|
#ifdef FEM
|
||
|
|
use FEZoo, only: &
|
||
|
|
FEZoo_init
|
||
|
|
#endif
|
||
|
|
|
||
|
|
implicit none
|
||
|
|
integer(pInt), intent(in) :: el, & !< FE el number
|
||
|
|
ip !< FE integration point number
|
||
|
|
|
||
|
|
!$OMP CRITICAL (init)
|
||
|
|
if (.not. CPFEM_init_done) then
|
||
|
|
call DAMASK_interface_init ! Spectral and FEM interface to commandline
|
||
|
|
call prec_init
|
||
|
|
call IO_init
|
||
|
|
#ifdef FEM
|
||
|
|
call FEZoo_init
|
||
|
|
#endif
|
||
|
|
call numerics_init
|
||
|
|
call debug_init
|
||
|
|
call math_init
|
||
|
|
call FE_init
|
||
|
|
call mesh_init(ip, el) ! pass on coordinates to alter calcMode of first ip
|
||
|
|
call lattice_init
|
||
|
|
call material_init
|
||
|
|
call constitutive_init
|
||
|
|
call crystallite_init
|
||
|
|
call homogenization_init
|
||
|
|
call CPFEM_init
|
||
|
|
CPFEM_init_done = .true.
|
||
|
|
endif
|
||
|
|
!$OMP END CRITICAL (init)
|
||
|
|
|
||
|
|
end subroutine CPFEM_initAll
|
||
|
|
|
||
|
|
|
||
|
|
!--------------------------------------------------------------------------------------------------
|
||
|
|
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
||
|
|
!--------------------------------------------------------------------------------------------------
|
||
|
|
subroutine CPFEM_init
|
||
|
|
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||
|
|
use prec, only: &
|
||
|
|
pInt
|
||
|
|
use IO, only: &
|
||
|
|
IO_read_realFile,&
|
||
|
|
IO_read_intFile, &
|
||
|
|
IO_timeStamp, &
|
||
|
|
IO_error
|
||
|
|
use numerics, only: &
|
||
|
|
worldrank
|
||
|
|
use debug, only: &
|
||
|
|
debug_level, &
|
||
|
|
debug_CPFEM, &
|
||
|
|
debug_levelBasic, &
|
||
|
|
debug_levelExtensive
|
||
|
|
use FEsolving, only: &
|
||
|
|
restartRead, &
|
||
|
|
modelName
|
||
|
|
use material, only: &
|
||
|
|
material_phase, &
|
||
|
|
homogState, &
|
||
|
|
phase_plasticity, &
|
||
|
|
plasticState, &
|
||
|
|
material_Nhomogenization
|
||
|
|
use crystallite, only: &
|
||
|
|
crystallite_F0, &
|
||
|
|
crystallite_Fp0, &
|
||
|
|
crystallite_Lp0, &
|
||
|
|
crystallite_Fi0, &
|
||
|
|
crystallite_Li0, &
|
||
|
|
crystallite_dPdF0, &
|
||
|
|
crystallite_Tstar0_v
|
||
|
|
|
||
|
|
implicit none
|
||
|
|
integer(pInt) :: k,l,m,ph,homog
|
||
|
|
character(len=1024) :: rankStr
|
||
|
|
|
||
|
|
mainProcess: if (worldrank == 0) then
|
||
|
|
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
||
|
|
write(6,'(a)') ' $Id: CPFEM.f90 4761 2016-01-17 13:29:42Z MPIE\m.diehl $'
|
||
|
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||
|
|
#include "compilation_info.f90"
|
||
|
|
endif mainProcess
|
||
|
|
|
||
|
|
! *** restore the last converged values of each essential variable from the binary file
|
||
|
|
if (restartRead) then
|
||
|
|
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) then
|
||
|
|
write(6,'(a)') '<< CPFEM >> restored state variables of last converged step from binary files'
|
||
|
|
flush(6)
|
||
|
|
endif
|
||
|
|
|
||
|
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||
|
|
|
||
|
|
call IO_read_intFile(777,'recordedPhase'//trim(rankStr),modelName,size(material_phase))
|
||
|
|
read (777,rec=1) material_phase
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_read_realFile(777,'convergedF'//trim(rankStr),modelName,size(crystallite_F0))
|
||
|
|
read (777,rec=1) crystallite_F0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_read_realFile(777,'convergedFp'//trim(rankStr),modelName,size(crystallite_Fp0))
|
||
|
|
read (777,rec=1) crystallite_Fp0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_read_realFile(777,'convergedFi'//trim(rankStr),modelName,size(crystallite_Fi0))
|
||
|
|
read (777,rec=1) crystallite_Fi0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_read_realFile(777,'convergedLp'//trim(rankStr),modelName,size(crystallite_Lp0))
|
||
|
|
read (777,rec=1) crystallite_Lp0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_read_realFile(777,'convergedLi'//trim(rankStr),modelName,size(crystallite_Li0))
|
||
|
|
read (777,rec=1) crystallite_Li0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_read_realFile(777,'convergeddPdF'//trim(rankStr),modelName,size(crystallite_dPdF0))
|
||
|
|
read (777,rec=1) crystallite_dPdF0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_read_realFile(777,'convergedTstar'//trim(rankStr),modelName,size(crystallite_Tstar0_v))
|
||
|
|
read (777,rec=1) crystallite_Tstar0_v
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_read_realFile(777,'convergedStateConst'//trim(rankStr),modelName)
|
||
|
|
m = 0_pInt
|
||
|
|
readPlasticityInstances: do ph = 1_pInt, size(phase_plasticity)
|
||
|
|
do k = 1_pInt, plasticState(ph)%sizeState
|
||
|
|
do l = 1, size(plasticState(ph)%state0(1,:))
|
||
|
|
m = m+1_pInt
|
||
|
|
read(777,rec=m) plasticState(ph)%state0(k,l)
|
||
|
|
enddo; enddo
|
||
|
|
enddo readPlasticityInstances
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_read_realFile(777,'convergedStateHomog'//trim(rankStr),modelName)
|
||
|
|
m = 0_pInt
|
||
|
|
readHomogInstances: do homog = 1_pInt, material_Nhomogenization
|
||
|
|
do k = 1_pInt, homogState(homog)%sizeState
|
||
|
|
do l = 1, size(homogState(homog)%state0(1,:))
|
||
|
|
m = m+1_pInt
|
||
|
|
read(777,rec=m) homogState(homog)%state0(k,l)
|
||
|
|
enddo; enddo
|
||
|
|
enddo readHomogInstances
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
restartRead = .false.
|
||
|
|
endif
|
||
|
|
flush(6)
|
||
|
|
|
||
|
|
end subroutine CPFEM_init
|
||
|
|
|
||
|
|
|
||
|
|
!--------------------------------------------------------------------------------------------------
|
||
|
|
!> @brief perform initialization at first call, update variables and call the actual material model
|
||
|
|
!--------------------------------------------------------------------------------------------------
|
||
|
|
subroutine CPFEM_general(age, dt)
|
||
|
|
use numerics, only: &
|
||
|
|
worldrank
|
||
|
|
use debug, only: &
|
||
|
|
debug_level, &
|
||
|
|
debug_CPFEM, &
|
||
|
|
debug_levelBasic, &
|
||
|
|
debug_levelExtensive, &
|
||
|
|
debug_levelSelective
|
||
|
|
use FEsolving, only: &
|
||
|
|
terminallyIll, &
|
||
|
|
restartWrite
|
||
|
|
use math, only: &
|
||
|
|
math_identity2nd, &
|
||
|
|
math_mul33x33, &
|
||
|
|
math_det33, &
|
||
|
|
math_transpose33, &
|
||
|
|
math_I3, &
|
||
|
|
math_Mandel3333to66, &
|
||
|
|
math_Mandel66to3333, &
|
||
|
|
math_Mandel33to6, &
|
||
|
|
math_Mandel6to33
|
||
|
|
use material, only: &
|
||
|
|
plasticState, &
|
||
|
|
sourceState, &
|
||
|
|
homogState, &
|
||
|
|
thermalState, &
|
||
|
|
damageState, &
|
||
|
|
vacancyfluxState, &
|
||
|
|
hydrogenfluxState, &
|
||
|
|
material_phase, &
|
||
|
|
phase_plasticity, &
|
||
|
|
phase_Nsources, &
|
||
|
|
material_Nhomogenization
|
||
|
|
use crystallite, only: &
|
||
|
|
crystallite_partionedF,&
|
||
|
|
crystallite_F0, &
|
||
|
|
crystallite_Fp0, &
|
||
|
|
crystallite_Fp, &
|
||
|
|
crystallite_Fi0, &
|
||
|
|
crystallite_Fi, &
|
||
|
|
crystallite_Lp0, &
|
||
|
|
crystallite_Lp, &
|
||
|
|
crystallite_Li0, &
|
||
|
|
crystallite_Li, &
|
||
|
|
crystallite_dPdF0, &
|
||
|
|
crystallite_dPdF, &
|
||
|
|
crystallite_Tstar0_v, &
|
||
|
|
crystallite_Tstar_v
|
||
|
|
use homogenization, only: &
|
||
|
|
materialpoint_F, &
|
||
|
|
materialpoint_F0, &
|
||
|
|
materialpoint_stressAndItsTangent, &
|
||
|
|
materialpoint_postResults
|
||
|
|
use IO, only: &
|
||
|
|
IO_write_jobRealFile, &
|
||
|
|
IO_warning
|
||
|
|
use DAMASK_interface
|
||
|
|
|
||
|
|
implicit none
|
||
|
|
real(pReal), intent(in) :: dt !< time increment
|
||
|
|
logical, intent(in) :: age !< age results
|
||
|
|
|
||
|
|
integer(pInt) :: i, k, l, m, ph, homog, mySource
|
||
|
|
character(len=1024) :: rankStr
|
||
|
|
|
||
|
|
!*** age results and write restart data if requested
|
||
|
|
if (age) then
|
||
|
|
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
|
||
|
|
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
|
||
|
|
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
|
||
|
|
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
|
||
|
|
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
|
||
|
|
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
|
||
|
|
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
|
||
|
|
|
||
|
|
forall ( i = 1:size(plasticState )) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array
|
||
|
|
do i = 1, size(sourceState)
|
||
|
|
do mySource = 1,phase_Nsources(i)
|
||
|
|
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array
|
||
|
|
enddo; enddo
|
||
|
|
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||
|
|
write(6,'(a)') '<< CPFEM >> aging states'
|
||
|
|
|
||
|
|
do homog = 1_pInt, material_Nhomogenization
|
||
|
|
homogState (homog)%state0 = homogState (homog)%state
|
||
|
|
thermalState (homog)%state0 = thermalState (homog)%state
|
||
|
|
damageState (homog)%state0 = damageState (homog)%state
|
||
|
|
vacancyfluxState (homog)%state0 = vacancyfluxState (homog)%state
|
||
|
|
hydrogenfluxState(homog)%state0 = hydrogenfluxState(homog)%state
|
||
|
|
enddo
|
||
|
|
|
||
|
|
|
||
|
|
if (restartWrite) then
|
||
|
|
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||
|
|
write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files'
|
||
|
|
|
||
|
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
|
||
|
|
write (777,rec=1) material_phase
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0))
|
||
|
|
write (777,rec=1) crystallite_F0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0))
|
||
|
|
write (777,rec=1) crystallite_Fp0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0))
|
||
|
|
write (777,rec=1) crystallite_Fi0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0))
|
||
|
|
write (777,rec=1) crystallite_Lp0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0))
|
||
|
|
write (777,rec=1) crystallite_Li0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0))
|
||
|
|
write (777,rec=1) crystallite_dPdF0
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v))
|
||
|
|
write (777,rec=1) crystallite_Tstar0_v
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr))
|
||
|
|
m = 0_pInt
|
||
|
|
writePlasticityInstances: do ph = 1_pInt, size(phase_plasticity)
|
||
|
|
do k = 1_pInt, plasticState(ph)%sizeState
|
||
|
|
do l = 1, size(plasticState(ph)%state0(1,:))
|
||
|
|
m = m+1_pInt
|
||
|
|
write(777,rec=m) plasticState(ph)%state0(k,l)
|
||
|
|
enddo; enddo
|
||
|
|
enddo writePlasticityInstances
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
call IO_write_jobRealFile(777,'convergedStateHomog'//trim(rankStr))
|
||
|
|
m = 0_pInt
|
||
|
|
writeHomogInstances: do homog = 1_pInt, material_Nhomogenization
|
||
|
|
do k = 1_pInt, homogState(homog)%sizeState
|
||
|
|
do l = 1, size(homogState(homog)%state0(1,:))
|
||
|
|
m = m+1_pInt
|
||
|
|
write(777,rec=m) homogState(homog)%state0(k,l)
|
||
|
|
enddo; enddo
|
||
|
|
enddo writeHomogInstances
|
||
|
|
close (777)
|
||
|
|
|
||
|
|
endif
|
||
|
|
endif
|
||
|
|
|
||
|
|
if (.not. terminallyIll) &
|
||
|
|
call materialpoint_stressAndItsTangent(.True., dt)
|
||
|
|
|
||
|
|
end subroutine CPFEM_general
|
||
|
|
|
||
|
|
end module CPFEM2
|