removed numerical perturbation calculation
This commit is contained in:
Martin Diehl
parent
8235bf3422
commit
e4c590699f
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@ -518,8 +518,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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nCryst, &
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nCryst, &
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numerics_integrator, &
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numerics_integrator, &
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numerics_integrationMode, &
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numerics_integrationMode, &
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numerics_timeSyncing, &
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numerics_timeSyncing
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analyticJaco
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use debug, only: &
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use debug, only: &
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debug_level, &
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debug_level, &
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debug_crystallite, &
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debug_crystallite, &
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@ -582,23 +581,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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invFp, & ! inverse of the plastic deformation gradient
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invFp, & ! inverse of the plastic deformation gradient
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Fe_guess, & ! guess for elastic deformation gradient
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Fe_guess, & ! guess for elastic deformation gradient
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Tstar ! 2nd Piola-Kirchhoff stress tensor
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Tstar ! 2nd Piola-Kirchhoff stress tensor
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real(pReal), allocatable, dimension(:,:,:,:,:,:,:) :: &
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dPdF_perturbation1, &
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dPdF_perturbation2
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real(pReal), allocatable, dimension(:,:,:,:,:) :: &
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F_backup, &
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Fp_backup, &
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InvFp_backup, &
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Fi_backup, &
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InvFi_backup, &
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Fe_backup, &
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Lp_backup, &
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Li_backup, &
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P_backup
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real(pReal), allocatable, dimension(:,:,:,:) :: &
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Tstar_v_backup
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logical, allocatable, dimension(:,:,:) :: &
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convergenceFlag_backup
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integer(pInt) :: &
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integer(pInt) :: &
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NiterationCrystallite, & ! number of iterations in crystallite loop
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NiterationCrystallite, & ! number of iterations in crystallite loop
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c, & !< counter in integration point component loop
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c, & !< counter in integration point component loop
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@ -1137,10 +1119,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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! --+>> STIFFNESS CALCULATION <<+--
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! --+>> STIFFNESS CALCULATION <<+--
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computeJacobian: if(updateJaco) then
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computeJacobian: if(updateJaco) then
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jacobianMethod: if (analyticJaco) then
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! --- ANALYTIC JACOBIAN ---
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!$OMP PARALLEL DO PRIVATE(dSdF,dSdFe,dSdFi,dLpdS,dLpdFi,dFpinvdF,dLidS,dLidFi,dFidS,&
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!$OMP PARALLEL DO PRIVATE(dSdF,dSdFe,dSdFi,dLpdS,dLpdFi,dFpinvdF,dLidS,dLidFi,dFidS,&
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!$OMP rhs_3333,lhs_3333,temp_99,temp_33,temp_3333,myNcomponents,error)
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!$OMP rhs_3333,lhs_3333,temp_99,temp_33,temp_3333,myNcomponents,error)
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elementLooping6: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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elementLooping6: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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@ -1250,258 +1228,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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enddo; enddo
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enddo; enddo
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enddo elementLooping6
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enddo elementLooping6
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!$OMP END PARALLEL DO
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!$OMP END PARALLEL DO
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else jacobianMethod
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! --- STANDARD (PERTURBATION METHOD) FOR JACOBIAN ---
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numerics_integrationMode = 2_pInt
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! --- BACKUP ---
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allocate(dPdF_perturbation1(3,3,3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(dPdF_perturbation2(3,3,3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(F_backup (3,3, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(Fp_backup (3,3, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(InvFp_backup (3,3, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(Fi_backup (3,3, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(InvFi_backup (3,3, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(Fe_backup (3,3, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(Lp_backup (3,3, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(Li_backup (3,3, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(P_backup (3,3, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(Tstar_v_backup (6, homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = 0.0_pReal)
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allocate(convergenceFlag_backup (homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source = .false.)
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!$OMP PARALLEL DO PRIVATE(myNcomponents)
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elementLooping7: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNcomponents = homogenization_Ngrains(mesh_element(3,e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e); do c = 1,myNcomponents
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plasticState (phaseAt(c,i,e))%state_backup(:,phasememberAt(c,i,e)) = &
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plasticState (phaseAt(c,i,e))%state( :,phasememberAt(c,i,e))
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do mySource = 1_pInt, phase_Nsources(phaseAt(c,i,e))
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sourceState(phaseAt(c,i,e))%p(mySource)%state_backup(:,phasememberAt(c,i,e)) = &
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sourceState(phaseAt(c,i,e))%p(mySource)%state( :,phasememberAt(c,i,e))
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enddo
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plasticState (phaseAt(c,i,e))%dotState_backup(:,phasememberAt(c,i,e)) = &
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plasticState (phaseAt(c,i,e))%dotState( :,phasememberAt(c,i,e))
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do mySource = 1_pInt, phase_Nsources(phaseAt(c,i,e))
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sourceState(phaseAt(c,i,e))%p(mySource)%dotState_backup(:,phasememberAt(c,i,e)) = &
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sourceState(phaseAt(c,i,e))%p(mySource)%dotState( :,phasememberAt(c,i,e))
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enddo
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F_backup(1:3,1:3,c,i,e) = crystallite_subF(1:3,1:3,c,i,e) ! ... and kinematics
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Fp_backup(1:3,1:3,c,i,e) = crystallite_Fp(1:3,1:3,c,i,e)
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InvFp_backup(1:3,1:3,c,i,e) = crystallite_invFp(1:3,1:3,c,i,e)
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Fi_backup(1:3,1:3,c,i,e) = crystallite_Fi(1:3,1:3,c,i,e)
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InvFi_backup(1:3,1:3,c,i,e) = crystallite_invFi(1:3,1:3,c,i,e)
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Fe_backup(1:3,1:3,c,i,e) = crystallite_Fe(1:3,1:3,c,i,e)
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Lp_backup(1:3,1:3,c,i,e) = crystallite_Lp(1:3,1:3,c,i,e)
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Li_backup(1:3,1:3,c,i,e) = crystallite_Li(1:3,1:3,c,i,e)
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Tstar_v_backup(1:6,c,i,e) = crystallite_Tstar_v(1:6,c,i,e)
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P_backup(1:3,1:3,c,i,e) = crystallite_P(1:3,1:3,c,i,e)
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convergenceFlag_backup(c,i,e) = crystallite_converged(c,i,e)
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enddo; enddo
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enddo elementLooping7
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!$END PARALLEL DO
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! --- CALCULATE STATE AND STRESS FOR PERTURBATION ---
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dPdF_perturbation1 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
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dPdF_perturbation2 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
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pertubationLoop: do perturbation = 1,2 ! forward and backward perturbation
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if (iand(pert_method,perturbation) > 0_pInt) then ! mask for desired direction
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myPert = -pert_Fg * (-1.0_pReal)**perturbation ! set perturbation step
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do k = 1,3; do l = 1,3 ! ...alter individual components
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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.and. ((e == debug_e .and. i == debug_i .and. c == debug_g) &
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.or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt)) &
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write(6,'(a,2(1x,i1),1x,a,/)') '<< CRYST >> [[[[[[ Stiffness perturbation',k,l,']]]]]]'
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! --- INITIALIZE UNPERTURBED STATE ---
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select case(numerics_integrator(numerics_integrationMode))
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case(1_pInt)
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!why not OMP? ! Fix-point method: restore to last converged state at end of subinc, since this is probably closest to perturbed state
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNcomponents = homogenization_Ngrains(mesh_element(3,e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e); do c = 1,myNcomponents
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plasticState (phaseAt(c,i,e))%state( :,phasememberAt(c,i,e)) = &
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plasticState (phaseAt(c,i,e))%state_backup(:,phasememberAt(c,i,e))
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do mySource = 1_pInt, phase_Nsources(phaseAt(c,i,e))
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sourceState(phaseAt(c,i,e))%p(mySource)%state( :,phasememberAt(c,i,e)) = &
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sourceState(phaseAt(c,i,e))%p(mySource)%state_backup(:,phasememberAt(c,i,e))
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enddo
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plasticState (phaseAt(c,i,e))%dotState( :,phasememberAt(c,i,e)) = &
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plasticState (phaseAt(c,i,e))%dotState_backup(:,phasememberAt(c,i,e))
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do mySource = 1_pInt, phase_Nsources(phaseAt(c,i,e))
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sourceState(phaseAt(c,i,e))%p(mySource)%dotState( :,phasememberAt(c,i,e)) = &
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sourceState(phaseAt(c,i,e))%p(mySource)%dotState_backup(:,phasememberAt(c,i,e))
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enddo
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crystallite_Fp(1:3,1:3,c,i,e) = Fp_backup(1:3,1:3,c,i,e)
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crystallite_invFp(1:3,1:3,c,i,e) = InvFp_backup(1:3,1:3,c,i,e)
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crystallite_Fi(1:3,1:3,c,i,e) = Fi_backup(1:3,1:3,c,i,e)
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crystallite_invFi(1:3,1:3,c,i,e) = InvFi_backup(1:3,1:3,c,i,e)
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crystallite_Fe(1:3,1:3,c,i,e) = Fe_backup(1:3,1:3,c,i,e)
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crystallite_Lp(1:3,1:3,c,i,e) = Lp_backup(1:3,1:3,c,i,e)
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crystallite_Li(1:3,1:3,c,i,e) = Li_backup(1:3,1:3,c,i,e)
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crystallite_Tstar_v(1:6,c,i,e) = Tstar_v_backup(1:6,c,i,e)
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enddo; enddo
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enddo
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case(2_pInt,3_pInt) ! explicit Euler methods: nothing to restore (except for F), since we are only doing a stress integration step
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case(4_pInt,5_pInt)
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!why not OMP? ! explicit Runge-Kutta methods: restore to start of subinc, since we are doing a full integration of state and stress
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNcomponents = homogenization_Ngrains(mesh_element(3,e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e); do c = 1,myNcomponents
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plasticState (phaseAt(c,i,e))%state( :,phasememberAt(c,i,e)) = &
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plasticState (phaseAt(c,i,e))%subState0(:,phasememberAt(c,i,e))
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do mySource = 1_pInt, phase_Nsources(phaseAt(c,i,e))
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sourceState(phaseAt(c,i,e))%p(mySource)%state( :,phasememberAt(c,i,e)) = &
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sourceState(phaseAt(c,i,e))%p(mySource)%subState0(:,phasememberAt(c,i,e))
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enddo
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plasticState (phaseAt(c,i,e))%dotState( :,phasememberAt(c,i,e)) = &
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plasticState (phaseAt(c,i,e))%dotState_backup(:,phasememberAt(c,i,e))
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do mySource = 1_pInt, phase_Nsources(phaseAt(c,i,e))
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sourceState(phaseAt(c,i,e))%p(mySource)%dotState( :,phasememberAt(c,i,e)) = &
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sourceState(phaseAt(c,i,e))%p(mySource)%dotState_backup(:,phasememberAt(c,i,e))
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enddo
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crystallite_Fp(1:3,1:3,c,i,e) = crystallite_subFp0(1:3,1:3,c,i,e)
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crystallite_Fi(1:3,1:3,c,i,e) = crystallite_subFi0(1:3,1:3,c,i,e)
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crystallite_Fe(1:3,1:3,c,i,e) = crystallite_subFe0(1:3,1:3,c,i,e)
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crystallite_Lp(1:3,1:3,c,i,e) = crystallite_subLp0(1:3,1:3,c,i,e)
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crystallite_Li(1:3,1:3,c,i,e) = crystallite_subLi0(1:3,1:3,c,i,e)
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crystallite_Tstar_v(1:6,c,i,e) = crystallite_subTstar0_v(1:6,c,i,e)
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enddo; enddo
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enddo
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end select
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! --- PERTURB EITHER FORWARD OR BACKWARD ---
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!why not OMP?
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNcomponents = homogenization_Ngrains(mesh_element(3,e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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do c = 1,myNcomponents
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crystallite_subF(1:3,1:3,c,i,e) = F_backup(1:3,1:3,c,i,e)
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crystallite_subF(k,l,c,i,e) = crystallite_subF(k,l,c,i,e) + myPert
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crystallite_todo(c,i,e) = crystallite_requested(c,i,e) &
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.and. convergenceFlag_backup(c,i,e)
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if (crystallite_todo(c,i,e)) crystallite_converged(c,i,e) = .false. ! start out non-converged
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enddo; enddo; enddo
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select case(numerics_integrator(numerics_integrationMode))
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case(1_pInt)
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call crystallite_integrateStateFPI()
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case(2_pInt)
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call crystallite_integrateStateEuler()
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case(3_pInt)
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call crystallite_integrateStateAdaptiveEuler()
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case(4_pInt)
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call crystallite_integrateStateRK4()
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case(5_pInt)
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call crystallite_integrateStateRKCK45()
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end select
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!why not OMP?
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elementLooping8: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNcomponents = homogenization_Ngrains(mesh_element(3,e))
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select case(perturbation)
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case(1_pInt)
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forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), c = 1:myNcomponents, &
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crystallite_requested(c,i,e) .and. crystallite_converged(c,i,e)) & ! converged state warrants stiffness update
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dPdF_perturbation1(1:3,1:3,k,l,c,i,e) = &
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(crystallite_P(1:3,1:3,c,i,e) - P_backup(1:3,1:3,c,i,e)) / myPert ! tangent dP_ij/dFg_kl
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case(2_pInt)
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forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), c = 1:myNcomponents, &
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crystallite_requested(c,i,e) .and. crystallite_converged(c,i,e)) & ! converged state warrants stiffness update
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dPdF_perturbation2(1:3,1:3,k,l,c,i,e) = &
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(crystallite_P(1:3,1:3,c,i,e) - P_backup(1:3,1:3,c,i,e)) / myPert ! tangent dP_ij/dFg_kl
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end select
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enddo elementLooping8
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enddo; enddo ! k,l component perturbation loop
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endif
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enddo pertubationLoop
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! --- STIFFNESS ACCORDING TO PERTURBATION METHOD AND CONVERGENCE ---
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elementLooping9: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNcomponents = homogenization_Ngrains(mesh_element(3,e))
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select case(pert_method)
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case(1_pInt)
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forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), c = 1:myNcomponents, &
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crystallite_requested(c,i,e) .and. convergenceFlag_backup(c,i,e)) & ! perturbation mode 1: central solution converged
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crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = dPdF_perturbation1(1:3,1:3,1:3,1:3,c,i,e)
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case(2_pInt)
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forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), c = 1:myNcomponents, &
|
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||||||
crystallite_requested(c,i,e) .and. convergenceFlag_backup(c,i,e)) & ! perturbation mode 2: central solution converged
|
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||||||
crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = dPdF_perturbation2(1:3,1:3,1:3,1:3,c,i,e)
|
|
||||||
case(3_pInt)
|
|
||||||
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), c = 1:myNcomponents, &
|
|
||||||
crystallite_requested(c,i,e) .and. convergenceFlag_backup(c,i,e)) & ! perturbation mode 3: central solution converged
|
|
||||||
crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = 0.5_pReal* ( dPdF_perturbation1(1:3,1:3,1:3,1:3,c,i,e) &
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|
||||||
+ dPdF_perturbation2(1:3,1:3,1:3,1:3,c,i,e))
|
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||||||
end select
|
|
||||||
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), c = 1:myNcomponents, &
|
|
||||||
crystallite_requested(c,i,e) .and. .not. convergenceFlag_backup(c,i,e)) & ! for any pertubation mode: if central solution did not converge...
|
|
||||||
crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = crystallite_fallbackdPdF(1:3,1:3,1:3,1:3,c,i,e) ! ...use (elastic) fallback
|
|
||||||
enddo elementLooping9
|
|
||||||
|
|
||||||
! --- RESTORE ---
|
|
||||||
!why not OMP?
|
|
||||||
elementLooping10: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
||||||
myNcomponents = homogenization_Ngrains(mesh_element(3,e))
|
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e); do c = 1,myNcomponents
|
|
||||||
|
|
||||||
plasticState (phaseAt(c,i,e))%state( :,phasememberAt(c,i,e)) = &
|
|
||||||
plasticState (phaseAt(c,i,e))%state_backup(:,phasememberAt(c,i,e))
|
|
||||||
do mySource = 1_pInt, phase_Nsources(phaseAt(c,i,e))
|
|
||||||
sourceState(phaseAt(c,i,e))%p(mySource)%state( :,phasememberAt(c,i,e)) = &
|
|
||||||
sourceState(phaseAt(c,i,e))%p(mySource)%state_backup(:,phasememberAt(c,i,e))
|
|
||||||
enddo
|
|
||||||
|
|
||||||
plasticState (phaseAt(c,i,e))%dotState( :,phasememberAt(c,i,e)) = &
|
|
||||||
plasticState (phaseAt(c,i,e))%dotState_backup(:,phasememberAt(c,i,e))
|
|
||||||
do mySource = 1_pInt, phase_Nsources(phaseAt(c,i,e))
|
|
||||||
sourceState(phaseAt(c,i,e))%p(mySource)%dotState( :,phasememberAt(c,i,e)) = &
|
|
||||||
sourceState(phaseAt(c,i,e))%p(mySource)%dotState_backup(:,phasememberAt(c,i,e))
|
|
||||||
enddo
|
|
||||||
|
|
||||||
crystallite_subF(1:3,1:3,c,i,e) = F_backup(1:3,1:3,c,i,e)
|
|
||||||
crystallite_Fp(1:3,1:3,c,i,e) = Fp_backup(1:3,1:3,c,i,e)
|
|
||||||
crystallite_invFp(1:3,1:3,c,i,e) = InvFp_backup(1:3,1:3,c,i,e)
|
|
||||||
crystallite_Fi(1:3,1:3,c,i,e) = Fi_backup(1:3,1:3,c,i,e)
|
|
||||||
crystallite_invFi(1:3,1:3,c,i,e) = InvFi_backup(1:3,1:3,c,i,e)
|
|
||||||
crystallite_Fe(1:3,1:3,c,i,e) = Fe_backup(1:3,1:3,c,i,e)
|
|
||||||
crystallite_Lp(1:3,1:3,c,i,e) = Lp_backup(1:3,1:3,c,i,e)
|
|
||||||
crystallite_Li(1:3,1:3,c,i,e) = Li_backup(1:3,1:3,c,i,e)
|
|
||||||
crystallite_Tstar_v(1:6,c,i,e) = Tstar_v_backup(1:6,c,i,e)
|
|
||||||
crystallite_P(1:3,1:3,c,i,e) = P_backup(1:3,1:3,c,i,e)
|
|
||||||
crystallite_converged(c,i,e) = convergenceFlag_backup(c,i,e)
|
|
||||||
enddo; enddo
|
|
||||||
enddo elementLooping10
|
|
||||||
|
|
||||||
deallocate(dPdF_perturbation1)
|
|
||||||
deallocate(dPdF_perturbation2)
|
|
||||||
deallocate(F_backup )
|
|
||||||
deallocate(Fp_backup )
|
|
||||||
deallocate(InvFp_backup )
|
|
||||||
deallocate(Fi_backup )
|
|
||||||
deallocate(InvFi_backup )
|
|
||||||
deallocate(Fe_backup )
|
|
||||||
deallocate(Lp_backup )
|
|
||||||
deallocate(Li_backup )
|
|
||||||
deallocate(P_backup )
|
|
||||||
deallocate(Tstar_v_backup )
|
|
||||||
deallocate(convergenceFlag_backup)
|
|
||||||
|
|
||||||
endif jacobianMethod
|
|
||||||
endif computeJacobian
|
endif computeJacobian
|
||||||
!why not OMP?
|
!why not OMP?
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue