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cleaning+renaming

This commit is contained in:
Martin Diehl 2020-12-24 08:53:02 +01:00
parent 36affc93bf
commit 935b531d27
2 changed files with 80 additions and 90 deletions
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102
src/constitutive.f90
View File

@ -973,8 +973,7 @@ subroutine crystallite_init
do co = 1,homogenization_Nconstituents(material_homogenizationAt(el)) do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
ph = material_phaseAt(co,el) ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el) me = material_phaseMemberAt(co,ip,el)
call constitutive_plastic_dependentState(crystallite_partitionedF0(1:3,1:3,co,ip,el), & call constitutive_plastic_dependentState(crystallite_partitionedF0(1:3,1:3,co,ip,el),co,ip,el) ! update dependent state variables to be consistent with basic states
co,ip,el) ! update dependent state variables to be consistent with basic states
enddo enddo
enddo enddo
enddo enddo
@ -1035,66 +1034,63 @@ function crystallite_stress(dt,co,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! wind forward ! wind forward
if (crystallite_converged(co,ip,el)) then if (crystallite_converged(co,ip,el)) then
formerSubStep = subStep formerSubStep = subStep
subFrac = subFrac + subStep subFrac = subFrac + subStep
subStep = min(1.0_pReal - subFrac, num%stepIncreaseCryst * subStep) subStep = min(1.0_pReal - subFrac, num%stepIncreaseCryst * subStep)
todo = subStep > 0.0_pReal ! still time left to integrate on? todo = subStep > 0.0_pReal ! still time left to integrate on?
if (todo) then
crystallite_subF0 (1:3,1:3,co,ip,el) = crystallite_subF(1:3,1:3,co,ip,el)
subLp0 = crystallite_Lp (1:3,1:3,co,ip,el)
subLi0 = constitutive_mech_Li(ph)%data(1:3,1:3,me)
crystallite_subFp0(1:3,1:3,co,ip,el) = constitutive_mech_Fp(ph)%data(1:3,1:3,me)
crystallite_subFi0(1:3,1:3,co,ip,el) = constitutive_mech_Fi(ph)%data(1:3,1:3,me)
plasticState( material_phaseAt(co,el))%subState0(:,material_phaseMemberAt(co,ip,el)) &
= plasticState(material_phaseAt(co,el))%state( :,material_phaseMemberAt(co,ip,el))
do s = 1, phase_Nsources(material_phaseAt(co,el))
sourceState( material_phaseAt(co,el))%p(s)%subState0(:,material_phaseMemberAt(co,ip,el)) &
= sourceState(material_phaseAt(co,el))%p(s)%state( :,material_phaseMemberAt(co,ip,el))
enddo
endif
if (todo) then
crystallite_subF0 (1:3,1:3,co,ip,el) = crystallite_subF(1:3,1:3,co,ip,el)
subLp0 = crystallite_Lp (1:3,1:3,co,ip,el)
subLi0 = constitutive_mech_Li(ph)%data(1:3,1:3,me)
crystallite_subFp0(1:3,1:3,co,ip,el) = constitutive_mech_Fp(ph)%data(1:3,1:3,me)
crystallite_subFi0(1:3,1:3,co,ip,el) = constitutive_mech_Fi(ph)%data(1:3,1:3,me)
plasticState( material_phaseAt(co,el))%subState0(:,material_phaseMemberAt(co,ip,el)) &
= plasticState(material_phaseAt(co,el))%state( :,material_phaseMemberAt(co,ip,el))
do s = 1, phase_Nsources(material_phaseAt(co,el))
sourceState( material_phaseAt(co,el))%p(s)%subState0(:,material_phaseMemberAt(co,ip,el)) &
= sourceState(material_phaseAt(co,el))%p(s)%state( :,material_phaseMemberAt(co,ip,el))
enddo
endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! cut back (reduced time and restore) ! cut back (reduced time and restore)
else else
subStep = num%subStepSizeCryst * subStep subStep = num%subStepSizeCryst * subStep
constitutive_mech_Fp(ph)%data(1:3,1:3,me) = crystallite_subFp0(1:3,1:3,co,ip,el) constitutive_mech_Fp(ph)%data(1:3,1:3,me) = crystallite_subFp0(1:3,1:3,co,ip,el)
constitutive_mech_Fi(ph)%data(1:3,1:3,me) = crystallite_subFi0(1:3,1:3,co,ip,el) constitutive_mech_Fi(ph)%data(1:3,1:3,me) = crystallite_subFi0(1:3,1:3,co,ip,el)
crystallite_S (1:3,1:3,co,ip,el) = crystallite_S0 (1:3,1:3,co,ip,el) crystallite_S (1:3,1:3,co,ip,el) = crystallite_S0 (1:3,1:3,co,ip,el)
if (subStep < 1.0_pReal) then ! actual (not initial) cutback if (subStep < 1.0_pReal) then ! actual (not initial) cutback
crystallite_Lp (1:3,1:3,co,ip,el) = subLp0 crystallite_Lp (1:3,1:3,co,ip,el) = subLp0
constitutive_mech_Li(ph)%data(1:3,1:3,me) = subLi0 constitutive_mech_Li(ph)%data(1:3,1:3,me) = subLi0
endif endif
plasticState (material_phaseAt(co,el))%state( :,material_phaseMemberAt(co,ip,el)) & plasticState (material_phaseAt(co,el))%state( :,material_phaseMemberAt(co,ip,el)) &
= plasticState(material_phaseAt(co,el))%subState0(:,material_phaseMemberAt(co,ip,el)) = plasticState(material_phaseAt(co,el))%subState0(:,material_phaseMemberAt(co,ip,el))
do s = 1, phase_Nsources(material_phaseAt(co,el)) do s = 1, phase_Nsources(material_phaseAt(co,el))
sourceState( material_phaseAt(co,el))%p(s)%state( :,material_phaseMemberAt(co,ip,el)) & sourceState( material_phaseAt(co,el))%p(s)%state( :,material_phaseMemberAt(co,ip,el)) &
= sourceState(material_phaseAt(co,el))%p(s)%subState0(:,material_phaseMemberAt(co,ip,el)) = sourceState(material_phaseAt(co,el))%p(s)%subState0(:,material_phaseMemberAt(co,ip,el))
enddo enddo
! cant restore dotState here, since not yet calculated in first cutback after initialization ! cant restore dotState here, since not yet calculated in first cutback after initialization
todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair) todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair)
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! prepare for integration ! prepare for integration
if (todo) then if (todo) then
crystallite_subF(1:3,1:3,co,ip,el) = crystallite_subF0(1:3,1:3,co,ip,el) & crystallite_subF(1:3,1:3,co,ip,el) = crystallite_subF0(1:3,1:3,co,ip,el) &
+ subStep *( crystallite_partitionedF (1:3,1:3,co,ip,el) & + subStep *( crystallite_partitionedF (1:3,1:3,co,ip,el) &
-crystallite_partitionedF0(1:3,1:3,co,ip,el)) -crystallite_partitionedF0(1:3,1:3,co,ip,el))
crystallite_Fe(1:3,1:3,co,ip,el) = matmul(crystallite_subF(1:3,1:3,co,ip,el), & crystallite_Fe(1:3,1:3,co,ip,el) = matmul(crystallite_subF(1:3,1:3,co,ip,el), &
math_inv33(matmul(constitutive_mech_Fi(ph)%data(1:3,1:3,me), & math_inv33(matmul(constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
constitutive_mech_Fp(ph)%data(1:3,1:3,me)))) constitutive_mech_Fp(ph)%data(1:3,1:3,me))))
crystallite_subdt(co,ip,el) = subStep * dt crystallite_subdt(co,ip,el) = subStep * dt
crystallite_converged(co,ip,el) = .false. crystallite_converged(co,ip,el) = .false.
call integrateState(co,ip,el) call integrateState(co,ip,el)
call integrateSourceState(co,ip,el) call integrateSourceState(co,ip,el)
endif endif
if (.not. crystallite_converged(co,ip,el) .and. subStep > num%subStepMinCryst) & ! do not try non-converged but fully cutbacked any further
todo = .true.
enddo cutbackLooping enddo cutbackLooping
! return whether converged or not ! return whether converged or not

68
src/constitutive_mech.f90
View File

@ -791,6 +791,8 @@ function integrateStress(co,ip,el,timeFraction) result(broken)
o, & o, &
p, & p, &
m, & m, &
ph, &
me, &
jacoCounterLp, & jacoCounterLp, &
jacoCounterLi ! counters to check for Jacobian update jacoCounterLi ! counters to check for Jacobian update
logical :: error,broken logical :: error,broken
@ -808,11 +810,11 @@ function integrateStress(co,ip,el,timeFraction) result(broken)
call constitutive_plastic_dependentState(crystallite_partitionedF(1:3,1:3,co,ip,el),co,ip,el) call constitutive_plastic_dependentState(crystallite_partitionedF(1:3,1:3,co,ip,el),co,ip,el)
p = material_phaseAt(co,el) ph = material_phaseAt(co,el)
m = material_phaseMemberAt(co,ip,el) me = material_phaseMemberAt(co,ip,el)
Lpguess = crystallite_Lp(1:3,1:3,co,ip,el) ! take as first guess Lpguess = crystallite_Lp(1:3,1:3,co,ip,el) ! take as first guess
Liguess = constitutive_mech_Li(p)%data(1:3,1:3,m) ! take as first guess Liguess = constitutive_mech_Li(ph)%data(1:3,1:3,me) ! take as first guess
call math_invert33(invFp_current,devNull,error,crystallite_subFp0(1:3,1:3,co,ip,el)) call math_invert33(invFp_current,devNull,error,crystallite_subFp0(1:3,1:3,co,ip,el))
if (error) return ! error if (error) return ! error
@ -941,15 +943,12 @@ function integrateStress(co,ip,el,timeFraction) result(broken)
call math_invert33(Fp_new,devNull,error,invFp_new) call math_invert33(Fp_new,devNull,error,invFp_new)
if (error) return ! error if (error) return ! error
p = material_phaseAt(co,el)
m = material_phaseMemberAt(co,ip,el)
crystallite_P (1:3,1:3,co,ip,el) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new))) crystallite_P (1:3,1:3,co,ip,el) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
crystallite_S (1:3,1:3,co,ip,el) = S crystallite_S (1:3,1:3,co,ip,el) = S
crystallite_Lp (1:3,1:3,co,ip,el) = Lpguess crystallite_Lp (1:3,1:3,co,ip,el) = Lpguess
constitutive_mech_Li(p)%data(1:3,1:3,m) = Liguess constitutive_mech_Li(ph)%data(1:3,1:3,me) = Liguess
constitutive_mech_Fp(p)%data(1:3,1:3,m) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize constitutive_mech_Fp(ph)%data(1:3,1:3,me) = 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(ph)%data(1:3,1:3,me) = Fi_new
crystallite_Fe (1:3,1:3,co,ip,el) = matmul(matmul(F,invFp_new),invFi_new) crystallite_Fe (1:3,1:3,co,ip,el) = matmul(matmul(F,invFp_new),invFi_new)
broken = .false. broken = .false.
@ -970,17 +969,13 @@ module subroutine integrateStateFPI(co,ip,el)
NiterationState, & !< number of iterations in state loop NiterationState, & !< number of iterations in state loop
ph, & ph, &
me, & me, &
s, &
size_pl size_pl
integer, dimension(maxval(phase_Nsources)) :: &
size_so
real(pReal) :: & real(pReal) :: &
zeta zeta
real(pReal), dimension(max(constitutive_plasticity_maxSizeDotState,constitutive_source_maxSizeDotState)) :: & real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: &
r ! state residuum r ! state residuum
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,2) :: & real(pReal), dimension(constitutive_plasticity_maxSizeDotState,2) :: &
plastic_dotState plastic_dotState
real(pReal), dimension(constitutive_source_maxSizeDotState,2,maxval(phase_Nsources)) :: source_dotState
logical :: & logical :: &
broken broken
@ -1199,10 +1194,10 @@ end subroutine integrateStateRKCK45
!> @brief Integrate state (including stress integration) with an explicit Runge-Kutta method or an !> @brief Integrate state (including stress integration) with an explicit Runge-Kutta method or an
!! embedded explicit Runge-Kutta method !! embedded explicit Runge-Kutta method
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateRK(co,ip,el,A,B,CC,DB) subroutine integrateStateRK(co,ip,el,A,B,C,DB)
real(pReal), dimension(:,:), intent(in) :: A real(pReal), dimension(:,:), intent(in) :: A
real(pReal), dimension(:), intent(in) :: B, CC real(pReal), dimension(:), intent(in) :: B, C
real(pReal), dimension(:), intent(in), optional :: DB real(pReal), dimension(:), intent(in), optional :: DB
integer, intent(in) :: & integer, intent(in) :: &
el, & !< element index in element loop el, & !< element index in element loop
@ -1242,10 +1237,10 @@ subroutine integrateStateRK(co,ip,el,A,B,CC,DB)
+ plasticState(ph)%dotState (1:sizeDotState,me) & + plasticState(ph)%dotState (1:sizeDotState,me) &
* crystallite_subdt(co,ip,el) * crystallite_subdt(co,ip,el)
broken = integrateStress(co,ip,el,CC(stage)) broken = integrateStress(co,ip,el,C(stage))
if(broken) exit if(broken) exit
broken = mech_collectDotState(crystallite_subdt(co,ip,el)*CC(stage), co,ip,el,ph,me) broken = mech_collectDotState(crystallite_subdt(co,ip,el)*C(stage), co,ip,el,ph,me)
if(broken) exit if(broken) exit
enddo enddo
@ -1277,7 +1272,6 @@ subroutine integrateStateRK(co,ip,el,A,B,CC,DB)
end subroutine integrateStateRK end subroutine integrateStateRK
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes crystallite results to HDF5 output file !> @brief writes crystallite results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1354,22 +1348,22 @@ subroutine crystallite_results(group,ph)
!------------------------------------------------------------------------------------------------ !------------------------------------------------------------------------------------------------
!> @brief select tensors for output !> @brief select tensors for output
!------------------------------------------------------------------------------------------------ !------------------------------------------------------------------------------------------------
function select_tensors(dataset,instance) function select_tensors(dataset,ph)
integer, intent(in) :: instance integer, intent(in) :: ph
real(pReal), dimension(:,:,:,:,:), intent(in) :: dataset real(pReal), dimension(:,:,:,:,:), intent(in) :: dataset
real(pReal), allocatable, dimension(:,:,:) :: select_tensors real(pReal), allocatable, dimension(:,:,:) :: select_tensors
integer :: e,i,c,j integer :: el,ip,co,j
allocate(select_tensors(3,3,count(material_phaseAt==instance)*discretization_nIPs)) allocate(select_tensors(3,3,count(material_phaseAt==ph)*discretization_nIPs))
j=0 j=0
do e = 1, size(material_phaseAt,2) do el = 1, size(material_phaseAt,2)
do i = 1, discretization_nIPs do ip = 1, discretization_nIPs
do c = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains do co = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains
if (material_phaseAt(c,e) == instance) then if (material_phaseAt(co,el) == ph) then
j = j + 1 j = j + 1
select_tensors(1:3,1:3,j) = dataset(1:3,1:3,c,i,e) select_tensors(1:3,1:3,j) = dataset(1:3,1:3,co,ip,el)
endif endif
enddo enddo
enddo enddo
@ -1381,22 +1375,22 @@ subroutine crystallite_results(group,ph)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief select rotations for output !> @brief select rotations for output
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function select_rotations(dataset,instance) function select_rotations(dataset,ph)
integer, intent(in) :: instance integer, intent(in) :: ph
type(rotation), dimension(:,:,:), intent(in) :: dataset type(rotation), dimension(:,:,:), intent(in) :: dataset
real(pReal), allocatable, dimension(:,:) :: select_rotations real(pReal), allocatable, dimension(:,:) :: select_rotations
integer :: e,i,c,j integer :: el,ip,co,j
allocate(select_rotations(4,count(material_phaseAt==instance)*homogenization_maxNconstituents*discretization_nIPs)) allocate(select_rotations(4,count(material_phaseAt==ph)*homogenization_maxNconstituents*discretization_nIPs))
j=0 j=0
do e = 1, size(material_phaseAt,2) do el = 1, size(material_phaseAt,2)
do i = 1, discretization_nIPs do ip = 1, discretization_nIPs
do c = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains do co = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains
if (material_phaseAt(c,e) == instance) then if (material_phaseAt(co,el) == ph) then
j = j + 1 j = j + 1
select_rotations(1:4,j) = dataset(c,i,e)%asQuaternion() select_rotations(1:4,j) = dataset(co,ip,el)%asQuaternion()
endif endif
enddo enddo
enddo enddo