223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

using new structure

This commit is contained in:
Martin Diehl 2020-12-21 09:59:13 +01:00
parent 43cbe622d0
commit 2ceb000002
1 changed files with 39 additions and 30 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

63
src/constitutive.f90
View File

@ -45,10 +45,6 @@ module constitutive
crystallite_Lp0, & !< plastic velocitiy grad at start of FE inc crystallite_Lp0, & !< plastic velocitiy grad at start of FE inc
crystallite_partitionedLp0, & !< plastic velocity grad at start of homog inc crystallite_partitionedLp0, & !< plastic velocity grad at start of homog inc
! !
crystallite_Li, & !< current intermediate velocitiy grad (end of converged time step)
crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc
crystallite_partitionedLi0, & !< intermediate velocity grad at start of homog inc
!
crystallite_S0, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc crystallite_S0, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc
crystallite_partitionedS0 !< 2nd Piola-Kirchhoff stress vector at start of homog inc crystallite_partitionedS0 !< 2nd Piola-Kirchhoff stress vector at start of homog inc
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
@ -77,7 +73,10 @@ module constitutive
type(tTensorContainer), dimension(:), allocatable :: & type(tTensorContainer), dimension(:), allocatable :: &
constitutive_mech_Fi, & constitutive_mech_Fi, &
constitutive_mech_Fi0, & constitutive_mech_Fi0, &
constitutive_mech_partionedFi0 constitutive_mech_partionedFi0, &
constitutive_mech_Li, &
constitutive_mech_Li0, &
constitutive_mech_partionedLi0
type :: tNumerics type :: tNumerics
integer :: & integer :: &
@ -859,14 +858,12 @@ subroutine crystallite_init
allocate(crystallite_partitionedF(3,3,cMax,iMax,eMax),source=0.0_pReal) allocate(crystallite_partitionedF(3,3,cMax,iMax,eMax),source=0.0_pReal)
allocate(crystallite_S0, & allocate(crystallite_S0, &
crystallite_F0,crystallite_Fp0, & crystallite_F0,crystallite_Fp0,crystallite_Lp0, &
crystallite_Li0,crystallite_Lp0, &
crystallite_partitionedS0, & crystallite_partitionedS0, &
crystallite_partitionedF0,crystallite_partitionedFp0,& crystallite_partitionedF0,crystallite_partitionedFp0,&
crystallite_partitionedLp0,crystallite_partitionedLi0, & crystallite_partitionedLp0, &
crystallite_S,crystallite_P, & crystallite_S,crystallite_P, &
crystallite_Fe,crystallite_Fp, & crystallite_Fe,crystallite_Fp,crystallite_Lp, &
crystallite_Li,crystallite_Lp, &
crystallite_subF,crystallite_subF0, & crystallite_subF,crystallite_subF0, &
crystallite_subFp0,crystallite_subFi0, & crystallite_subFp0,crystallite_subFi0, &
source = crystallite_partitionedF) source = crystallite_partitionedF)
@ -931,6 +928,9 @@ subroutine crystallite_init
allocate(constitutive_mech_Fi(phases%length)) allocate(constitutive_mech_Fi(phases%length))
allocate(constitutive_mech_Fi0(phases%length)) allocate(constitutive_mech_Fi0(phases%length))
allocate(constitutive_mech_partionedFi0(phases%length)) allocate(constitutive_mech_partionedFi0(phases%length))
allocate(constitutive_mech_Li(phases%length))
allocate(constitutive_mech_Li0(phases%length))
allocate(constitutive_mech_partionedLi0(phases%length))
do p = 1, phases%length do p = 1, phases%length
Nconstituents = count(material_phaseAt == p) * discretization_nIPs Nconstituents = count(material_phaseAt == p) * discretization_nIPs
phase => phases%get(p) phase => phases%get(p)
@ -943,6 +943,9 @@ subroutine crystallite_init
allocate(constitutive_mech_Fi(p)%data(3,3,Nconstituents)) allocate(constitutive_mech_Fi(p)%data(3,3,Nconstituents))
allocate(constitutive_mech_Fi0(p)%data(3,3,Nconstituents)) allocate(constitutive_mech_Fi0(p)%data(3,3,Nconstituents))
allocate(constitutive_mech_partionedFi0(p)%data(3,3,Nconstituents)) allocate(constitutive_mech_partionedFi0(p)%data(3,3,Nconstituents))
allocate(constitutive_mech_Li(p)%data(3,3,Nconstituents))
allocate(constitutive_mech_Li0(p)%data(3,3,Nconstituents))
allocate(constitutive_mech_partionedLi0(p)%data(3,3,Nconstituents))
enddo enddo
print'(a42,1x,i10)', ' # of elements: ', eMax print'(a42,1x,i10)', ' # of elements: ', eMax
@ -1021,8 +1024,8 @@ function crystallite_stress()
todo = .false. todo = .false.
allocate(subLi0(3,3,homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems))
subLp0 = crystallite_partitionedLp0 subLp0 = crystallite_partitionedLp0
subLi0 = crystallite_partitionedLi0
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize to starting condition ! initialize to starting condition
@ -1030,9 +1033,10 @@ function crystallite_stress()
!$OMP PARALLEL DO PRIVATE(p,m) !$OMP PARALLEL DO PRIVATE(p,m)
elementLooping1: do e = FEsolving_execElem(1),FEsolving_execElem(2) elementLooping1: do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1),FEsolving_execIP(2); do c = 1,homogenization_Nconstituents(material_homogenizationAt(e)) do i = FEsolving_execIP(1),FEsolving_execIP(2); do c = 1,homogenization_Nconstituents(material_homogenizationAt(e))
homogenizationRequestsCalculation: if (crystallite_requested(c,i,e)) then
p = material_phaseAt(c,e) p = material_phaseAt(c,e)
m = material_phaseMemberAt(c,i,e) m = material_phaseMemberAt(c,i,e)
subLi0(1:3,1:3,c,i,e) = constitutive_mech_partionedLi0(p)%data(1:3,1:3,m)
homogenizationRequestsCalculation: if (crystallite_requested(c,i,e)) then
plasticState (material_phaseAt(c,e))%subState0( :,material_phaseMemberAt(c,i,e)) = & plasticState (material_phaseAt(c,e))%subState0( :,material_phaseMemberAt(c,i,e)) = &
plasticState (material_phaseAt(c,e))%partitionedState0(:,material_phaseMemberAt(c,i,e)) plasticState (material_phaseAt(c,e))%partitionedState0(:,material_phaseMemberAt(c,i,e))
@ -1079,7 +1083,7 @@ function crystallite_stress()
if (todo(c,i,e)) then if (todo(c,i,e)) then
crystallite_subF0 (1:3,1:3,c,i,e) = crystallite_subF(1:3,1:3,c,i,e) crystallite_subF0 (1:3,1:3,c,i,e) = crystallite_subF(1:3,1:3,c,i,e)
subLp0(1:3,1:3,c,i,e) = crystallite_Lp (1:3,1:3,c,i,e) subLp0(1:3,1:3,c,i,e) = crystallite_Lp (1:3,1:3,c,i,e)
subLi0(1:3,1:3,c,i,e) = crystallite_Li (1:3,1:3,c,i,e) subLi0(1:3,1:3,c,i,e) = constitutive_mech_Li(p)%data(1:3,1:3,m)
crystallite_subFp0(1:3,1:3,c,i,e) = crystallite_Fp (1:3,1:3,c,i,e) crystallite_subFp0(1:3,1:3,c,i,e) = crystallite_Fp (1:3,1:3,c,i,e)
crystallite_subFi0(1:3,1:3,c,i,e) = constitutive_mech_Fi(p)%data(1:3,1:3,m) crystallite_subFi0(1:3,1:3,c,i,e) = constitutive_mech_Fi(p)%data(1:3,1:3,m)
plasticState( material_phaseAt(c,e))%subState0(:,material_phaseMemberAt(c,i,e)) & plasticState( material_phaseAt(c,e))%subState0(:,material_phaseMemberAt(c,i,e)) &
@ -1099,7 +1103,7 @@ function crystallite_stress()
crystallite_S (1:3,1:3,c,i,e) = crystallite_S0 (1:3,1:3,c,i,e) crystallite_S (1:3,1:3,c,i,e) = crystallite_S0 (1:3,1:3,c,i,e)
if (crystallite_subStep(c,i,e) < 1.0_pReal) then ! actual (not initial) cutback if (crystallite_subStep(c,i,e) < 1.0_pReal) then ! actual (not initial) cutback
crystallite_Lp (1:3,1:3,c,i,e) = subLp0(1:3,1:3,c,i,e) crystallite_Lp (1:3,1:3,c,i,e) = subLp0(1:3,1:3,c,i,e)
crystallite_Li (1:3,1:3,c,i,e) = subLi0(1:3,1:3,c,i,e) constitutive_mech_Li(p)%data(1:3,1:3,m) = subLi0(1:3,1:3,c,i,e)
endif endif
plasticState (material_phaseAt(c,e))%state( :,material_phaseMemberAt(c,i,e)) & plasticState (material_phaseAt(c,e))%state( :,material_phaseMemberAt(c,i,e)) &
= plasticState(material_phaseAt(c,e))%subState0(:,material_phaseMemberAt(c,i,e)) = plasticState(material_phaseAt(c,e))%subState0(:,material_phaseMemberAt(c,i,e))
@ -1167,7 +1171,7 @@ subroutine crystallite_initializeRestorationPoints(i,e)
crystallite_partitionedFp0(1:3,1:3,c,i,e) = crystallite_Fp0(1:3,1:3,c,i,e) crystallite_partitionedFp0(1:3,1:3,c,i,e) = crystallite_Fp0(1:3,1:3,c,i,e)
crystallite_partitionedLp0(1:3,1:3,c,i,e) = crystallite_Lp0(1:3,1:3,c,i,e) crystallite_partitionedLp0(1:3,1:3,c,i,e) = crystallite_Lp0(1:3,1:3,c,i,e)
constitutive_mech_partionedFi0(p)%data(1:3,1:3,m) = constitutive_mech_Fi0(p)%data(1:3,1:3,m) constitutive_mech_partionedFi0(p)%data(1:3,1:3,m) = constitutive_mech_Fi0(p)%data(1:3,1:3,m)
crystallite_partitionedLi0(1:3,1:3,c,i,e) = crystallite_Li0(1:3,1:3,c,i,e) constitutive_mech_partionedLi0(p)%data(1:3,1:3,m) = constitutive_mech_Li0(p)%data(1:3,1:3,m)
crystallite_partitionedF0(1:3,1:3,c,i,e) = crystallite_F0(1:3,1:3,c,i,e) crystallite_partitionedF0(1:3,1:3,c,i,e) = crystallite_F0(1:3,1:3,c,i,e)
crystallite_partitionedS0(1:3,1:3,c,i,e) = crystallite_S0(1:3,1:3,c,i,e) crystallite_partitionedS0(1:3,1:3,c,i,e) = crystallite_S0(1:3,1:3,c,i,e)
@ -1200,7 +1204,7 @@ subroutine crystallite_windForward(i,e)
crystallite_partitionedFp0(1:3,1:3,c,i,e) = crystallite_Fp (1:3,1:3,c,i,e) crystallite_partitionedFp0(1:3,1:3,c,i,e) = crystallite_Fp (1:3,1:3,c,i,e)
crystallite_partitionedLp0(1:3,1:3,c,i,e) = crystallite_Lp (1:3,1:3,c,i,e) crystallite_partitionedLp0(1:3,1:3,c,i,e) = crystallite_Lp (1:3,1:3,c,i,e)
constitutive_mech_partionedFi0(p)%data(1:3,1:3,m) = constitutive_mech_Fi(p)%data(1:3,1:3,m) constitutive_mech_partionedFi0(p)%data(1:3,1:3,m) = constitutive_mech_Fi(p)%data(1:3,1:3,m)
crystallite_partitionedLi0(1:3,1:3,c,i,e) = crystallite_Li (1:3,1:3,c,i,e) constitutive_mech_partionedLi0(p)%data(1:3,1:3,m) = constitutive_mech_Li(p)%data(1:3,1:3,m)
crystallite_partitionedS0 (1:3,1:3,c,i,e) = crystallite_S (1:3,1:3,c,i,e) crystallite_partitionedS0 (1:3,1:3,c,i,e) = crystallite_S (1:3,1:3,c,i,e)
plasticState (material_phaseAt(c,e))%partitionedState0(:,material_phasememberAt(c,i,e)) = & plasticState (material_phaseAt(c,e))%partitionedState0(:,material_phasememberAt(c,i,e)) = &
@ -1228,12 +1232,13 @@ subroutine crystallite_restore(i,e,includeL)
c, p, m !< constituent number c, p, m !< constituent number
do c = 1,homogenization_Nconstituents(material_homogenizationAt(e)) do c = 1,homogenization_Nconstituents(material_homogenizationAt(e))
if (includeL) then
crystallite_Lp(1:3,1:3,c,i,e) = crystallite_partitionedLp0(1:3,1:3,c,i,e)
crystallite_Li(1:3,1:3,c,i,e) = crystallite_partitionedLi0(1:3,1:3,c,i,e)
endif ! maybe protecting everything from overwriting makes more sense
p = material_phaseAt(c,e) p = material_phaseAt(c,e)
m = material_phaseMemberAt(c,i,e) m = material_phaseMemberAt(c,i,e)
if (includeL) then
crystallite_Lp(1:3,1:3,c,i,e) = crystallite_partitionedLp0(1:3,1:3,c,i,e)
constitutive_mech_Li(p)%data(1:3,1:3,m) = constitutive_mech_partionedLi0(p)%data(1:3,1:3,m)
endif ! maybe protecting everything from overwriting makes more sense
crystallite_Fp(1:3,1:3,c,i,e) = crystallite_partitionedFp0(1:3,1:3,c,i,e) crystallite_Fp(1:3,1:3,c,i,e) = crystallite_partitionedFp0(1:3,1:3,c,i,e)
constitutive_mech_Fi(p)%data(1:3,1:3,m) = constitutive_mech_partionedFi0(p)%data(1:3,1:3,m) constitutive_mech_Fi(p)%data(1:3,1:3,m) = constitutive_mech_partionedFi0(p)%data(1:3,1:3,m)
crystallite_S (1:3,1:3,c,i,e) = crystallite_partitionedS0 (1:3,1:3,c,i,e) crystallite_S (1:3,1:3,c,i,e) = crystallite_partitionedS0 (1:3,1:3,c,i,e)
@ -1466,8 +1471,7 @@ subroutine crystallite_results
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),& call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'plastic velocity gradient','1/s') 'plastic velocity gradient','1/s')
case('L_i') case('L_i')
selected_tensors = select_tensors(crystallite_Li,p) call results_writeDataset(group,constitutive_mech_Li(p)%data,output_constituent(p)%label(o),&
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'inelastic velocity gradient','1/s') 'inelastic velocity gradient','1/s')
case('P') case('P')
selected_tensors = select_tensors(crystallite_P,p) selected_tensors = select_tensors(crystallite_P,p)
@ -1636,8 +1640,11 @@ function integrateStress(ipc,ip,el,timeFraction) result(broken)
call constitutive_plastic_dependentState(crystallite_partitionedF(1:3,1:3,ipc,ip,el), & call constitutive_plastic_dependentState(crystallite_partitionedF(1:3,1:3,ipc,ip,el), &
crystallite_Fp(1:3,1:3,ipc,ip,el),ipc,ip,el) crystallite_Fp(1:3,1:3,ipc,ip,el),ipc,ip,el)
p = material_phaseAt(ipc,el)
m = material_phaseMemberAt(ipc,ip,el)
Lpguess = crystallite_Lp(1:3,1:3,ipc,ip,el) ! take as first guess Lpguess = crystallite_Lp(1:3,1:3,ipc,ip,el) ! take as first guess
Liguess = crystallite_Li(1:3,1:3,ipc,ip,el) ! take as first guess Liguess = constitutive_mech_Li(p)%data(1:3,1:3,m) ! take as first guess
call math_invert33(invFp_current,devNull,error,crystallite_subFp0(1:3,1:3,ipc,ip,el)) call math_invert33(invFp_current,devNull,error,crystallite_subFp0(1:3,1:3,ipc,ip,el))
if (error) return ! error if (error) return ! error
@ -1772,7 +1779,7 @@ function integrateStress(ipc,ip,el,timeFraction) result(broken)
crystallite_P (1:3,1:3,ipc,ip,el) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new))) crystallite_P (1:3,1:3,ipc,ip,el) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
crystallite_S (1:3,1:3,ipc,ip,el) = S crystallite_S (1:3,1:3,ipc,ip,el) = S
crystallite_Lp (1:3,1:3,ipc,ip,el) = Lpguess crystallite_Lp (1:3,1:3,ipc,ip,el) = Lpguess
crystallite_Li (1:3,1:3,ipc,ip,el) = Liguess constitutive_mech_Li(p)%data(1:3,1:3,m) = Liguess
crystallite_Fp (1:3,1:3,ipc,ip,el) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize crystallite_Fp (1:3,1:3,ipc,ip,el) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize
constitutive_mech_Fi(p)%data(1:3,1:3,m) = Fi_new constitutive_mech_Fi(p)%data(1:3,1:3,m) = Fi_new
crystallite_Fe (1:3,1:3,ipc,ip,el) = matmul(matmul(F,invFp_new),invFi_new) crystallite_Fe (1:3,1:3,ipc,ip,el) = matmul(matmul(F,invFp_new),invFi_new)
@ -2264,7 +2271,6 @@ subroutine crystallite_restartWrite
call HDF5_write(fileHandle,crystallite_partitionedF,'F') call HDF5_write(fileHandle,crystallite_partitionedF,'F')
call HDF5_write(fileHandle,crystallite_Fp, 'F_p') call HDF5_write(fileHandle,crystallite_Fp, 'F_p')
call HDF5_write(fileHandle,crystallite_Lp, 'L_p') call HDF5_write(fileHandle,crystallite_Lp, 'L_p')
call HDF5_write(fileHandle,crystallite_Li, 'L_i')
call HDF5_write(fileHandle,crystallite_S, 'S') call HDF5_write(fileHandle,crystallite_S, 'S')
groupHandle = HDF5_addGroup(fileHandle,'phase') groupHandle = HDF5_addGroup(fileHandle,'phase')
@ -2273,6 +2279,8 @@ subroutine crystallite_restartWrite
call HDF5_write(groupHandle,plasticState(i)%state,datasetName) call HDF5_write(groupHandle,plasticState(i)%state,datasetName)
write(datasetName,'(i0,a)') i,'_F_i' write(datasetName,'(i0,a)') i,'_F_i'
call HDF5_write(groupHandle,constitutive_mech_Fi(i)%data,datasetName) call HDF5_write(groupHandle,constitutive_mech_Fi(i)%data,datasetName)
write(datasetName,'(i0,a)') i,'_L_i'
call HDF5_write(groupHandle,constitutive_mech_Li(i)%data,datasetName)
enddo enddo
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
@ -2306,7 +2314,6 @@ subroutine crystallite_restartRead
call HDF5_read(fileHandle,crystallite_F0, 'F') call HDF5_read(fileHandle,crystallite_F0, 'F')
call HDF5_read(fileHandle,crystallite_Fp0,'F_p') call HDF5_read(fileHandle,crystallite_Fp0,'F_p')
call HDF5_read(fileHandle,crystallite_Lp0,'L_p') call HDF5_read(fileHandle,crystallite_Lp0,'L_p')
call HDF5_read(fileHandle,crystallite_Li0,'L_i')
call HDF5_read(fileHandle,crystallite_S0, 'S') call HDF5_read(fileHandle,crystallite_S0, 'S')
groupHandle = HDF5_openGroup(fileHandle,'phase') groupHandle = HDF5_openGroup(fileHandle,'phase')
@ -2315,6 +2322,8 @@ subroutine crystallite_restartRead
call HDF5_read(groupHandle,plasticState(i)%state0,datasetName) call HDF5_read(groupHandle,plasticState(i)%state0,datasetName)
write(datasetName,'(i0,a)') i,'_F_i' write(datasetName,'(i0,a)') i,'_F_i'
call HDF5_read(groupHandle,constitutive_mech_Fi0(i)%data,datasetName) call HDF5_read(groupHandle,constitutive_mech_Fi0(i)%data,datasetName)
write(datasetName,'(i0,a)') i,'_L_i'
call HDF5_read(groupHandle,constitutive_mech_Li0(i)%data,datasetName)
enddo enddo
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
@ -2341,12 +2350,12 @@ subroutine crystallite_forward
crystallite_F0 = crystallite_partitionedF crystallite_F0 = crystallite_partitionedF
crystallite_Fp0 = crystallite_Fp crystallite_Fp0 = crystallite_Fp
crystallite_Lp0 = crystallite_Lp crystallite_Lp0 = crystallite_Lp
crystallite_Li0 = crystallite_Li
crystallite_S0 = crystallite_S crystallite_S0 = crystallite_S
do i = 1, size(plasticState) do i = 1, size(plasticState)
plasticState(i)%state0 = plasticState(i)%state plasticState(i)%state0 = plasticState(i)%state
constitutive_mech_Fi0(i) = constitutive_mech_Fi(i) constitutive_mech_Fi0(i) = constitutive_mech_Fi(i)
constitutive_mech_Li0(i) = constitutive_mech_Li(i)
enddo enddo
do i = 1,size(material_name_homogenization) do i = 1,size(material_name_homogenization)
homogState (i)%state0 = homogState (i)%state homogState (i)%state0 = homogState (i)%state