detabbed file for better readability
This commit is contained in:
Christoph Kords
parent
8c5852dedf
commit
aab5598d96
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@ -347,8 +347,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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logical, dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
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storedConvergenceFlag
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logical, dimension(3,3) :: mask
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logical forceLocalStiffnessCalculation
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forceLocalStiffnessCalculation = .true. ! flag indicating that stiffness calculation is always done locally
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logical forceLocalStiffnessCalculation ! flag indicating that stiffness calculation is always done locally
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forceLocalStiffnessCalculation = .true.
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! ------ initialize to starting condition ------
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@ -547,7 +548,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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crystallite_todo = crystallite_todo .and. crystallite_onTrack ! continue with non-broken grains
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if (any(.not. crystallite_onTrack .and. .not. crystallite_localConstitution)) & ! any non-local is broken?
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crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! all nonlocal crystallites can be skipped
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crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! all nonlocal crystallites can be skipped
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if (debugger) then
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!$OMP CRITICAL (write2out)
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@ -635,7 +636,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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!$OMPEND CRITICAL (write2out)
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endif
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if (any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) & ! any non-local not yet converged?
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crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! all non-local not converged
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crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! all non-local not converged
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crystallite_todo = crystallite_todo .and. .not. crystallite_converged ! skip all converged
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@ -662,11 +663,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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! call IO_warning(600,e,i,g)
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invFp = math_inv3x3(crystallite_partionedFp0(:,:,g,i,e))
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Fe_guess = math_mul33x33(crystallite_partionedF(:,:,g,i,e),invFp)
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Tstar = math_Mandel6to33( &
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math_mul66x6( 0.5_pReal*constitutive_homogenizedC(g,i,e), &
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math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) &
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) &
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)
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Tstar = math_Mandel6to33( math_mul66x6( 0.5_pReal*constitutive_homogenizedC(g,i,e), &
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math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) ) )
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crystallite_P(:,:,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp)))
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endif
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enddo
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@ -690,15 +688,15 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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storedState(1:mySizeState,g,i,e) = constitutive_state(g,i,e)%p ! remember unperturbed, converged state, ...
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storedDotState(1:mySizeDotState,g,i,e) = constitutive_dotState(g,i,e)%p ! ... dotStates, ...
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enddo; enddo; enddo
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storedTemperature = crystallite_Temperature ! ... Temperature, ...
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storedF = crystallite_subF ! ... and kinematics
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storedFp = crystallite_Fp
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storedInvFp = crystallite_invFp
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storedFe = crystallite_Fe
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storedLp = crystallite_Lp
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storedTstar_v = crystallite_Tstar_v
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storedP = crystallite_P
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storedConvergenceFlag = crystallite_converged
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storedTemperature = crystallite_Temperature ! ... Temperature, ...
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storedF = crystallite_subF ! ... and kinematics
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storedFp = crystallite_Fp
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storedInvFp = crystallite_invFp
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storedFe = crystallite_Fe
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storedLp = crystallite_Lp
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storedTstar_v = crystallite_Tstar_v
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storedP = crystallite_P
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storedConvergenceFlag = crystallite_converged
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if (all(crystallite_localConstitution) .or. theInc < 2 .or. forceLocalStiffnessCalculation) then ! all grains have local constitution, so local convergence of perturbed grain is sufficient
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@ -783,11 +781,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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enddo ! perturbation direction
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select case(pert_method)
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case (1)
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crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation(:,:,:,:,1)
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crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation(:,:,:,:,1)
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case (2)
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crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation(:,:,:,:,2)
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crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation(:,:,:,:,2)
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case (3)
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crystallite_dPdF(:,:,:,:,g,i,e) = 0.5_pReal*(dPdF_perturbation(:,:,:,:,1)+dPdF_perturbation(:,:,:,:,2))
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crystallite_dPdF(:,:,:,:,g,i,e) = 0.5_pReal*(dPdF_perturbation(:,:,:,:,1)+dPdF_perturbation(:,:,:,:,2))
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end select
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else ! grain did not converge
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crystallite_dPdF(:,:,:,:,g,i,e) = crystallite_fallbackdPdF(:,:,:,:,g,i,e) ! use (elastic) fallback
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@ -818,8 +816,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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NiterationState = 0_pInt
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crystallite_todo = .true.
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do while ( any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2))) &
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.and. NiterationState < nState)
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do while ( any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2))) .and. NiterationState < nState)
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NiterationState = NiterationState + 1_pInt
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do ee = FEsolving_execElem(1),FEsolving_execElem(2)
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@ -828,7 +825,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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do gg = 1,myNgrains
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if (crystallite_todo(gg,ii,ee)) &
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crystallite_onTrack(gg,ii,ee) = crystallite_integrateStress(gg,ii,ee) ! stress integration
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enddo; enddo; enddo
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enddo; enddo; enddo
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crystallite_todo = crystallite_todo .and. crystallite_onTrack ! continue with non-broken grains
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if (any(.not. crystallite_onTrack .and. .not. crystallite_localConstitution)) & ! any non-local is broken?
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@ -863,9 +860,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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crystallite_converged(gg,ii,ee) = crystallite_stateConverged(gg,ii,ee) &
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.and. crystallite_temperatureConverged(gg,ii,ee)
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endif
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enddo
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enddo
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enddo
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enddo; enddo; enddo
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if (any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) & ! any non-local not yet converged?
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crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! all non-local not converged
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@ -889,14 +884,14 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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constitutive_state(gg,ii,ee)%p = storedState(1:mySizeState,gg,ii,ee)
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constitutive_dotState(gg,ii,ee)%p = storedDotState(1:mySizeDotState,gg,ii,ee)
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enddo; enddo; enddo
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crystallite_Temperature = storedTemperature
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crystallite_subF = storedF
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crystallite_Fp = storedFp
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crystallite_invFp = storedInvFp
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crystallite_Fe = storedFe
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crystallite_Lp = storedLp
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crystallite_Tstar_v = storedTstar_v
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crystallite_P = storedP
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crystallite_Temperature = storedTemperature
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crystallite_subF = storedF
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crystallite_Fp = storedFp
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crystallite_invFp = storedInvFp
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crystallite_Fe = storedFe
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crystallite_Lp = storedLp
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crystallite_Tstar_v = storedTstar_v
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crystallite_P = storedP
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!$OMP CRITICAL (out)
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debug_StiffnessStateLoopDistribution(NiterationState) = debug_StiffnessstateLoopDistribution(NiterationState) + 1
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@ -1377,28 +1372,28 @@ LpLoop: do
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subroutine crystallite_orientations()
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!*** variables and functions from other modules ***!
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use prec, only: pInt, &
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pReal
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use math, only: math_pDecomposition, &
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math_RtoEuler, &
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math_misorientation, &
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inDeg
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use FEsolving, only: FEsolving_execElem, &
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FEsolving_execIP
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use IO, only: IO_warning
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use material, only: material_phase, &
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homogenization_Ngrains, &
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phase_constitution, &
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phase_constitutionInstance
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use mesh, only: mesh_element, &
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mesh_ipNeighborhood, &
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FE_NipNeighbors
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use prec, only: pInt, &
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pReal
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use math, only: math_pDecomposition, &
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math_RtoEuler, &
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math_misorientation, &
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inDeg
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use FEsolving, only: FEsolving_execElem, &
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FEsolving_execIP
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use IO, only: IO_warning
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use material, only: material_phase, &
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homogenization_Ngrains, &
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phase_constitution, &
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phase_constitutionInstance
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use mesh, only: mesh_element, &
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mesh_ipNeighborhood, &
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FE_NipNeighbors
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use constitutive_phenopowerlaw, only: constitutive_phenopowerlaw_label, &
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constitutive_phenopowerlaw_structure
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use constitutive_dislotwin, only: constitutive_dislotwin_label, &
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constitutive_dislotwin_structure
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use constitutive_nonlocal, only: constitutive_nonlocal_label, &
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constitutive_nonlocal_structure
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constitutive_phenopowerlaw_structure
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use constitutive_dislotwin, only: constitutive_dislotwin_label, &
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constitutive_dislotwin_structure
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use constitutive_nonlocal, only: constitutive_nonlocal_label, &
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constitutive_nonlocal_structure
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implicit none
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@ -1407,97 +1402,97 @@ implicit none
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!*** output variables ***!
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!*** local variables ***!
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integer(pInt) e, & ! element index
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i, & ! integration point index
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g, & ! grain index
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n, & ! neighbor index
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myPhase, & ! phase
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myStructure, & ! lattice structure
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neighboring_e, & ! element index of my neighbor
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neighboring_i, & ! integration point index of my neighbor
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neighboringPhase, & ! phase of my neighbor
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neighboringStructure, & ! lattice structure of my neighbor
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symmetryType ! type of crystal symmetry
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real(pReal), dimension(3,3) :: U, R, & ! polar decomposition of Fe
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netRotation ! net rotation between two orientations
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integer(pInt) e, & ! element index
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i, & ! integration point index
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g, & ! grain index
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n, & ! neighbor index
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myPhase, & ! phase
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myStructure, & ! lattice structure
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neighboring_e, & ! element index of my neighbor
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neighboring_i, & ! integration point index of my neighbor
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neighboringPhase, & ! phase of my neighbor
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neighboringStructure, & ! lattice structure of my neighbor
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symmetryType ! type of crystal symmetry
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real(pReal), dimension(3,3) :: U, R, & ! polar decomposition of Fe
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netRotation ! net rotation between two orientations
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logical error
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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do g = 1,homogenization_Ngrains(mesh_element(3,e))
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! calculate orientation in terms of rotation matrix and euler angles
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call math_pDecomposition(crystallite_Fe(:,:,g,i,e), U, R, error) ! polar decomposition of Fe
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if (error) then
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call IO_warning(650, e, i, g)
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crystallite_R(:,:,g,i,e) = 0.0_pReal
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crystallite_eulerangles(:,g,i,e) = (/400.0, 400.0, 400.0/) ! fake orientation
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else
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crystallite_R(:,:,g,i,e) = transpose(R)
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crystallite_eulerangles(:,g,i,e) = math_RtoEuler(crystallite_R(:,:,g,i,e)) * inDeg
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endif
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enddo
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enddo
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enddo
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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do g = 1,homogenization_Ngrains(mesh_element(3,e))
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! calculate orientation in terms of rotation matrix and euler angles
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call math_pDecomposition(crystallite_Fe(:,:,g,i,e), U, R, error) ! polar decomposition of Fe
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if (error) then
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call IO_warning(650, e, i, g)
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crystallite_R(:,:,g,i,e) = 0.0_pReal
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crystallite_eulerangles(:,g,i,e) = (/400.0, 400.0, 400.0/) ! fake orientation
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else
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crystallite_R(:,:,g,i,e) = transpose(R)
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crystallite_eulerangles(:,g,i,e) = math_RtoEuler(crystallite_R(:,:,g,i,e)) * inDeg
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endif
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enddo
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enddo
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enddo
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!$OMPEND PARALLEL DO
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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if (homogenization_Ngrains(mesh_element(3,e)) == 1_pInt) then ! if single grain ip
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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if (homogenization_Ngrains(mesh_element(3,e)) == 1_pInt) then ! if single grain ip
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myPhase = material_phase(1,i,e) ! get my crystal structure
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select case (phase_constitution(myPhase))
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case (constitutive_phenopowerlaw_label)
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myStructure = constitutive_phenopowerlaw_structure(phase_constitutionInstance(myPhase))
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case (constitutive_dislotwin_label)
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myStructure = constitutive_dislotwin_structure(phase_constitutionInstance(myPhase))
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case (constitutive_nonlocal_label)
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myStructure = constitutive_nonlocal_structure(phase_constitutionInstance(myPhase))
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case default
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myStructure = ''
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end select
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do n = 1,FE_NipNeighbors(mesh_element(2,e)) ! loop through my neighbors
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neighboring_e = mesh_ipNeighborhood(1,n,i,e)
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neighboring_i = mesh_ipNeighborhood(2,n,i,e)
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myPhase = material_phase(1,i,e) ! get my crystal structure
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select case (phase_constitution(myPhase))
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case (constitutive_phenopowerlaw_label)
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myStructure = constitutive_phenopowerlaw_structure(phase_constitutionInstance(myPhase))
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case (constitutive_dislotwin_label)
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myStructure = constitutive_dislotwin_structure(phase_constitutionInstance(myPhase))
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case (constitutive_nonlocal_label)
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myStructure = constitutive_nonlocal_structure(phase_constitutionInstance(myPhase))
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case default
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myStructure = ''
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end select
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do n = 1,FE_NipNeighbors(mesh_element(2,e)) ! loop through my neighbors
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neighboring_e = mesh_ipNeighborhood(1,n,i,e)
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neighboring_i = mesh_ipNeighborhood(2,n,i,e)
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if ((neighboring_e > 0) .and. (neighboring_i > 0)) then ! if neighbor exists
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if ((neighboring_e > 0) .and. (neighboring_i > 0)) then ! if neighbor exists
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neighboringPhase = material_phase(1,neighboring_i,neighboring_e) ! get my neighbor's crystal structure
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if (myPhase == neighboringPhase) then ! if my neighbor has same phase like me
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select case (myStructure) ! get type of symmetry
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case (1_pInt, 2_pInt) ! fcc and bcc:
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symmetryType = 1_pInt ! -> cubic symmetry
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case (3_pInt) ! hex:
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symmetryType = 2_pInt ! -> hexagonal symmetry
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case default
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symmetryType = 0_pInt
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end select
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call math_misorientation( crystallite_misorientation(1:3,n,1,i,e), &
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crystallite_misorientation(4,n,1,i,e), &
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netRotation, &
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crystallite_R(:,:,1,i,e), &
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crystallite_R(:,:,1,neighboring_i,neighboring_e), &
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symmetryType) ! calculate misorientation
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else ! for neighbor with different phase
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crystallite_misorientation(4,n,1,i,e) = 400.0_pReal ! set misorientation angle to 400
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endif
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else ! no existing neighbor
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crystallite_misorientation(4,n,1,i,e) = 0.0_pReal ! set misorientation angle to zero
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endif
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enddo
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endif
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enddo
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enddo
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neighboringPhase = material_phase(1,neighboring_i,neighboring_e) ! get my neighbor's crystal structure
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if (myPhase == neighboringPhase) then ! if my neighbor has same phase like me
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select case (myStructure) ! get type of symmetry
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case (1_pInt, 2_pInt) ! fcc and bcc:
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symmetryType = 1_pInt ! -> cubic symmetry
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case (3_pInt) ! hex:
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symmetryType = 2_pInt ! -> hexagonal symmetry
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case default
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symmetryType = 0_pInt
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end select
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call math_misorientation( crystallite_misorientation(1:3,n,1,i,e), &
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crystallite_misorientation(4,n,1,i,e), &
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netRotation, &
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crystallite_R(:,:,1,i,e), &
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crystallite_R(:,:,1,neighboring_i,neighboring_e), &
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symmetryType) ! calculate misorientation
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else ! for neighbor with different phase
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crystallite_misorientation(4,n,1,i,e) = 400.0_pReal ! set misorientation angle to 400
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endif
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else ! no existing neighbor
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crystallite_misorientation(4,n,1,i,e) = 0.0_pReal ! set misorientation angle to zero
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endif
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enddo
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endif
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enddo
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enddo
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!$OMPEND PARALLEL DO
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endsubroutine
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