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polishing

This commit is contained in:
Philip Eisenlohr 2012-11-22 09:58:36 +00:00
parent e0e5683386
commit 7d196fbb25
2 changed files with 110 additions and 110 deletions
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46
code/crystallite.f90
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@ -583,7 +583,7 @@ NiterationCrystallite = 0_pInt
numerics_integrationMode = 1_pInt numerics_integrationMode = 1_pInt
do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))) ! cutback loop for crystallites do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))) ! cutback loop for crystallites
!$OMP PARALLEL DO PRIVATE(myNgrains,formerSubStep) !$OMP PARALLEL DO PRIVATE(myNgrains,formerSubStep)
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e)) myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
@ -594,21 +594,21 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
if (crystallite_converged(g,i,e)) then if (crystallite_converged(g,i,e)) then
formerSubStep = crystallite_subStep(g,i,e) formerSubStep = crystallite_subStep(g,i,e)
crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e) crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
!$OMP FLUSH(crystallite_subFrac) !$OMP FLUSH(crystallite_subFrac)
crystallite_subStep(g,i,e) = min( 1.0_pReal - crystallite_subFrac(g,i,e), & crystallite_subStep(g,i,e) = min( 1.0_pReal - crystallite_subFrac(g,i,e), &
stepIncreaseCryst * crystallite_subStep(g,i,e) ) stepIncreaseCryst * crystallite_subStep(g,i,e) )
!$OMP FLUSH(crystallite_subStep) !$OMP FLUSH(crystallite_subStep)
if (crystallite_subStep(g,i,e) > 0.0_pReal) then if (crystallite_subStep(g,i,e) > 0.0_pReal) then
crystallite_subTemperature0(g,i,e) = crystallite_Temperature(g,i,e) ! wind forward... crystallite_subTemperature0(g,i,e) = crystallite_Temperature(g,i,e) ! wind forward...
crystallite_subF0(1:3,1:3,g,i,e) = crystallite_subF(1:3,1:3,g,i,e) ! ...def grad crystallite_subF0(1:3,1:3,g,i,e) = crystallite_subF(1:3,1:3,g,i,e) ! ...def grad
!$OMP FLUSH(crystallite_subF0) !$OMP FLUSH(crystallite_subF0)
crystallite_subFp0(1:3,1:3,g,i,e) = crystallite_Fp(1:3,1:3,g,i,e) ! ...plastic def grad crystallite_subFp0(1:3,1:3,g,i,e) = crystallite_Fp(1:3,1:3,g,i,e) ! ...plastic def grad
crystallite_subFe0(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e)) ! only needed later on for stiffness calculation crystallite_subFe0(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e)) ! only needed later on for stiffness calculation
crystallite_subLp0(1:3,1:3,g,i,e) = crystallite_Lp(1:3,1:3,g,i,e) ! ...plastic velocity gradient crystallite_subLp0(1:3,1:3,g,i,e) = crystallite_Lp(1:3,1:3,g,i,e) ! ...plastic velocity gradient
constitutive_subState0(g,i,e)%p = constitutive_state(g,i,e)%p ! ...microstructure constitutive_subState0(g,i,e)%p = constitutive_state(g,i,e)%p ! ...microstructure
crystallite_subTstar0_v(1:6,g,i,e) = crystallite_Tstar_v(1:6,g,i,e) ! ...2nd PK stress crystallite_subTstar0_v(1:6,g,i,e) = crystallite_Tstar_v(1:6,g,i,e) ! ...2nd PK stress
crystallite_todo(g,i,e) = .true. crystallite_todo(g,i,e) = .true.
!$OMP FLUSH(crystallite_todo) !$OMP FLUSH(crystallite_todo)
#ifndef _OPENMP #ifndef _OPENMP
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt & if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) & .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
@ -621,7 +621,7 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
#endif #endif
elseif (formerSubStep > 0.0_pReal) then ! this crystallite just converged elseif (formerSubStep > 0.0_pReal) then ! this crystallite just converged
crystallite_todo(g,i,e) = .false. ! so done here crystallite_todo(g,i,e) = .false. ! so done here
!$OMP FLUSH(crystallite_todo) !$OMP FLUSH(crystallite_todo)
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionCrystallite) !$OMP CRITICAL (distributionCrystallite)
debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) = & debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) = &
@ -634,18 +634,18 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
else else
crystallite_subStep(g,i,e) = subStepSizeCryst * crystallite_subStep(g,i,e) ! cut step in half and restore... crystallite_subStep(g,i,e) = subStepSizeCryst * crystallite_subStep(g,i,e) ! cut step in half and restore...
!$OMP FLUSH(crystallite_subStep) !$OMP FLUSH(crystallite_subStep)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) ! ...temperature crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) ! ...temperature
crystallite_Fp(1:3,1:3,g,i,e) = crystallite_subFp0(1:3,1:3,g,i,e) ! ...plastic def grad crystallite_Fp(1:3,1:3,g,i,e) = crystallite_subFp0(1:3,1:3,g,i,e) ! ...plastic def grad
!$OMP FLUSH(crystallite_Fp) !$OMP FLUSH(crystallite_Fp)
crystallite_invFp(1:3,1:3,g,i,e) = math_inv33(crystallite_Fp(1:3,1:3,g,i,e)) crystallite_invFp(1:3,1:3,g,i,e) = math_inv33(crystallite_Fp(1:3,1:3,g,i,e))
!$OMP FLUSH(crystallite_invFp) !$OMP FLUSH(crystallite_invFp)
crystallite_Lp(1:3,1:3,g,i,e) = crystallite_subLp0(1:3,1:3,g,i,e) ! ...plastic velocity grad crystallite_Lp(1:3,1:3,g,i,e) = crystallite_subLp0(1:3,1:3,g,i,e) ! ...plastic velocity grad
constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure
crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e) ! ...2nd PK stress crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e) ! ...2nd PK stress
! 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
crystallite_todo(g,i,e) = crystallite_subStep(g,i,e) > subStepMinCryst ! still on track or already done (beyond repair) crystallite_todo(g,i,e) = crystallite_subStep(g,i,e) > subStepMinCryst ! still on track or already done (beyond repair)
!$OMP FLUSH(crystallite_todo) !$OMP FLUSH(crystallite_todo)
#ifndef _OPENMP #ifndef _OPENMP
if (crystallite_todo(g,i,e) & if (crystallite_todo(g,i,e) &
.and. iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt & .and. iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt &
@ -664,16 +664,16 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
crystallite_subF(1:3,1:3,g,i,e) = crystallite_subF0(1:3,1:3,g,i,e) & crystallite_subF(1:3,1:3,g,i,e) = crystallite_subF0(1:3,1:3,g,i,e) &
+ crystallite_subStep(g,i,e) & + crystallite_subStep(g,i,e) &
* (crystallite_partionedF(1:3,1:3,g,i,e) - crystallite_partionedF0(1:3,1:3,g,i,e)) * (crystallite_partionedF(1:3,1:3,g,i,e) - crystallite_partionedF0(1:3,1:3,g,i,e))
!$OMP FLUSH(crystallite_subF) !$OMP FLUSH(crystallite_subF)
crystallite_Fe(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e)) crystallite_Fe(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e))
crystallite_subdt(g,i,e) = crystallite_subStep(g,i,e) * crystallite_dt(g,i,e) crystallite_subdt(g,i,e) = crystallite_subStep(g,i,e) * crystallite_dt(g,i,e)
crystallite_converged(g,i,e) = .false. ! start out non-converged crystallite_converged(g,i,e) = .false. ! start out non-converged
endif endif
enddo enddo ! grains
enddo enddo ! IPs
enddo enddo ! elements
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
! --- integrate --- requires fully defined state array (basic + dependent state) ! --- integrate --- requires fully defined state array (basic + dependent state)
@ -689,10 +689,10 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
call crystallite_integrateStateRK4() call crystallite_integrateStateRK4()
case(5_pInt) case(5_pInt)
call crystallite_integrateStateRKCK45() call crystallite_integrateStateRKCK45()
endselect end select
endif endif
where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & ! do not try non-converged & fully cutbacked any further
crystallite_todo = .true. crystallite_todo = .true.
NiterationCrystallite = NiterationCrystallite + 1_pInt NiterationCrystallite = NiterationCrystallite + 1_pInt
@ -709,7 +709,7 @@ do e = FEsolving_execElem(1),FEsolving_execElem(2)
if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway) if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway)
if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> no convergence : respond fully elastic at el ip g ',e,i,g write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> no convergence: respond fully elastic at el ip g ',e,i,g
write(6,*) write(6,*)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
@ -743,7 +743,6 @@ if(updateJaco) then
numerics_integrationMode = 2_pInt numerics_integrationMode = 2_pInt
! --- BACKUP --- ! --- BACKUP ---
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
@ -771,7 +770,7 @@ if(updateJaco) then
dPdF_perturbation1 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment dPdF_perturbation1 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
dPdF_perturbation2 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment dPdF_perturbation2 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
do perturbation = 1,2 ! forward and backward perturbation do perturbation = 1,2 ! forward and backward perturbation
if (iand(pert_method,perturbation) > 0) then ! mask for desired direction if (iand(pert_method,perturbation) > 0_pInt) then ! mask for desired direction
myPert = -pert_Fg * (-1.0_pReal)**perturbation ! set perturbation step myPert = -pert_Fg * (-1.0_pReal)**perturbation ! set perturbation step
do k = 1,3; do l = 1,3 ! ...alter individual components do k = 1,3; do l = 1,3 ! ...alter individual components
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
@ -855,7 +854,8 @@ if(updateJaco) then
end select end select
enddo enddo
enddo; enddo ! k,l loop enddo; enddo ! k,l component perturbation loop
endif endif
enddo ! perturbation direction enddo ! perturbation direction
@ -943,14 +943,14 @@ if(updateJaco) then
FDot_inv = crystallite_subF(1:3,1:3,g,i,e) - crystallite_F0(1:3,1:3,g,i,e) FDot_inv = crystallite_subF(1:3,1:3,g,i,e) - crystallite_F0(1:3,1:3,g,i,e)
counter = 0.0_pReal counter = 0.0_pReal
do p=1_pInt,3_pInt; do o=1_pInt,3_pInt do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
if (abs(FDot_inv(o,p)) .lt. relevantStrain) then if (abs(FDot_inv(o,p)) < relevantStrain) then
FDot_inv(o,p) = 0.0_pReal FDot_inv(o,p) = 0.0_pReal
else else
counter = counter + 1.0_pReal counter = counter + 1.0_pReal
FDot_inv(o,p) = crystallite_dt(g,i,e)/FDot_inv(o,p) FDot_inv(o,p) = crystallite_dt(g,i,e)/FDot_inv(o,p)
endif endif
enddo; enddo enddo; enddo
if (counter .gt. 0.0_pReal) FDot_inv = FDot_inv/counter if (counter > 0.0_pReal) FDot_inv = FDot_inv/counter
do p=1_pInt,3_pInt; do o=1_pInt,3_pInt do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
dFp_invdFdot(o,p,1:3,1:3) = Fpinv_rate(o,p)*FDot_inv dFp_invdFdot(o,p,1:3,1:3) = Fpinv_rate(o,p)*FDot_inv
enddo; enddo enddo; enddo