added vacancy state integrators
This commit is contained in:
Pratheek Shanthraj
parent
9301b56aa3
commit
347dac74c6
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@ -535,6 +535,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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plasticState, &
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damageState, &
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thermalState, &
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vacancyState, &
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mappingConstitutive, &
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homogenization_maxNgrains
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use constitutive, only: &
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@ -633,6 +634,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%partionedState0(:,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%subState0( :,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%partionedState0(:,mappingConstitutive(1,g,i,e))
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vacancyState( mappingConstitutive(2,g,i,e))%subState0( :,mappingConstitutive(1,g,i,e)) = &
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vacancyState( mappingConstitutive(2,g,i,e))%partionedState0(:,mappingConstitutive(1,g,i,e))
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crystallite_subFp0(1:3,1:3,g,i,e) = crystallite_partionedFp0(1:3,1:3,g,i,e) ! ...plastic def grad
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crystallite_subLp0(1:3,1:3,g,i,e) = crystallite_partionedLp0(1:3,1:3,g,i,e) ! ...plastic velocity grad
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crystallite_dPdF0(1:3,1:3,1:3,1:3,g,i,e) = crystallite_partioneddPdF0(1:3,1:3,1:3,1:3,g,i,e) ! ...stiffness
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@ -918,6 +921,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
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crystallite_subTstar0_v(1:6,g,i,e) = crystallite_Tstar_v(1:6,g,i,e) ! ...2nd PK stress
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if (crystallite_syncSubFrac(i,e)) then ! if we just did a synchronization of states, then we wind forward without any further time integration
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crystallite_syncSubFracCompleted(i,e) = .true.
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@ -967,6 +972,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
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crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e) ! ...2nd PK stress
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! cant restore dotState here, since not yet calculated in first cutback after initialization
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@ -1200,6 +1207,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
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plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e)) = &
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plasticState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e))
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@ -1207,6 +1216,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e))
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F_backup(1:3,1:3,g,i,e) = crystallite_subF(1:3,1:3,g,i,e) ! ... and kinematics
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Fp_backup(1:3,1:3,g,i,e) = crystallite_Fp(1:3,1:3,g,i,e)
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@ -1246,6 +1257,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
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plasticState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
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plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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@ -1253,6 +1266,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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crystallite_Fp(1:3,1:3,g,i,e) = Fp_backup(1:3,1:3,g,i,e)
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crystallite_invFp(1:3,1:3,g,i,e) = InvFp_backup(1:3,1:3,g,i,e)
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@ -1274,6 +1289,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
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plasticState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
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plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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@ -1281,6 +1298,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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crystallite_Fp(1:3,1:3,g,i,e) = crystallite_subFp0(1:3,1:3,g,i,e)
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crystallite_Fe(1:3,1:3,g,i,e) = crystallite_subFe0(1:3,1:3,g,i,e)
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@ -1374,6 +1393,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
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plasticState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
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plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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@ -1381,6 +1402,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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damageState( mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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thermalState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
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thermalState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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vacancyState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
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vacancyState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
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crystallite_subF(1:3,1:3,g,i,e) = F_backup(1:3,1:3,g,i,e)
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crystallite_Fp(1:3,1:3,g,i,e) = Fp_backup(1:3,1:3,g,i,e)
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@ -1428,6 +1451,7 @@ subroutine crystallite_integrateStateRK4()
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plasticState, &
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damageState, &
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thermalState, &
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vacancyState, &
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mappingConstitutive, &
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homogenization_maxNgrains
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use constitutive, only: &
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@ -1448,7 +1472,8 @@ subroutine crystallite_integrateStateRK4()
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n, &
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mySizePlasticDotState, &
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mySizeDamageDotState, &
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mySizeThermalDotState
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mySizeThermalDotState, &
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mySizeVacancyDotState
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integer(pInt), dimension(2) :: eIter ! bounds for element iteration
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integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
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gIter ! bounds for grain iteration
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@ -1468,6 +1493,7 @@ subroutine crystallite_integrateStateRK4()
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forall(p = 1_pInt:size(plasticState)) plasticState(p)%RK4dotState = 0.0_pReal
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forall(p = 1_pInt:size(damageState)) damageState(p)%RK4dotState = 0.0_pReal
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forall(p = 1_pInt:size(thermalState)) thermalState(p)%RK4dotState = 0.0_pReal
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forall(p = 1_pInt:size(vacancyState)) vacancyState(p)%RK4dotState = 0.0_pReal
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else
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e = eIter(1)
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i = iIter(1,e)
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@ -1475,6 +1501,7 @@ subroutine crystallite_integrateStateRK4()
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plasticState(mappingConstitutive(2,g,i,e))%RK4dotState(:,mappingConstitutive(1,g,i,e)) = 0.0_pReal
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damageState( mappingConstitutive(2,g,i,e))%RK4dotState(:,mappingConstitutive(1,g,i,e)) = 0.0_pReal
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thermalState(mappingConstitutive(2,g,i,e))%RK4dotState(:,mappingConstitutive(1,g,i,e)) = 0.0_pReal
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vacancyState(mappingConstitutive(2,g,i,e))%RK4dotState(:,mappingConstitutive(1,g,i,e)) = 0.0_pReal
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enddo
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endif
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@ -1499,7 +1526,8 @@ subroutine crystallite_integrateStateRK4()
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p = mappingConstitutive(2,g,i,e)
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if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or.&
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any(damageState(p)%dotState(:,c) /= damageState(p)%dotState(:,c)) .or.&
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or.&
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any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -1531,11 +1559,13 @@ subroutine crystallite_integrateStateRK4()
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+ weight(n)*damageState(p)%dotState(:,c)
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thermalState(p)%RK4dotState(:,c) = thermalState(p)%RK4dotState(:,c) &
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+ weight(n)*thermalState(p)%dotState(:,c)
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vacancyState(p)%RK4dotState(:,c) = vacancyState(p)%RK4dotState(:,c) &
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+ weight(n)*vacancyState(p)%dotState(:,c)
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c)
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!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState,p,c)
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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if (crystallite_todo(g,i,e)) then
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@ -1544,6 +1574,7 @@ subroutine crystallite_integrateStateRK4()
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mySizePlasticDotState = plasticState(p)%sizeDotState
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mySizeDamageDotState = damageState(p)%sizeDotState
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mySizeThermalDotState = thermalState(p)%sizeDotState
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mySizeVacancyDotState = vacancyState(p)%sizeDotState
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plasticState(p)%state(1:mySizePlasticDotState,c) = plasticState(p)%subState0(1:mySizePlasticDotState,c) &
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+ plasticState(p)%dotState (1:mySizePlasticDotState,c) &
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* crystallite_subdt(g,i,e) * timeStepFraction(n)
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@ -1553,6 +1584,9 @@ subroutine crystallite_integrateStateRK4()
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thermalState(p)%state(1:mySizeThermalDotState,c) = thermalState(p)%subState0(1:mySizeThermalDotState,c) &
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+ thermalState(p)%dotState (1:mySizeThermalDotState,c) &
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* crystallite_subdt(g,i,e) * timeStepFraction(n)
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vacancyState(p)%state(1:mySizeVacancyDotState,c) = vacancyState(p)%subState0(1:mySizeVacancyDotState,c) &
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+ vacancyState(p)%dotState (1:mySizeVacancyDotState,c) &
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* crystallite_subdt(g,i,e) * timeStepFraction(n)
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#ifndef _OPENMP
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if (n == 4 &
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@ -1642,7 +1676,8 @@ subroutine crystallite_integrateStateRK4()
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c = mappingConstitutive(1,g,i,e)
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if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or.&
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any(damageState(p)%dotState(:,c) /= damageState(p)%dotState(:,c)) .or.&
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or.&
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any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -1716,6 +1751,7 @@ subroutine crystallite_integrateStateRKCK45()
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plasticState, &
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damageState, &
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thermalState, &
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vacancyState, &
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mappingConstitutive, &
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homogenization_maxNgrains
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use constitutive, only: &
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@ -1723,6 +1759,7 @@ subroutine crystallite_integrateStateRKCK45()
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constitutive_maxSizeDotState, &
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constitutive_damage_maxSizeDotState, &
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constitutive_thermal_maxSizeDotState, &
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constitutive_vacancy_maxSizeDotState, &
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constitutive_microstructure
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implicit none
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@ -1758,7 +1795,8 @@ subroutine crystallite_integrateStateRKCK45()
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cc, &
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mySizePlasticDotState, & ! size of dot States
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mySizeDamageDotState, &
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mySizeThermalDotState
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mySizeThermalDotState, &
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mySizeVacancyDotState
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integer(pInt), dimension(2) :: &
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eIter ! bounds for element iteration
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integer(pInt), dimension(2,mesh_NcpElems) :: &
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@ -1774,6 +1812,9 @@ subroutine crystallite_integrateStateRKCK45()
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real(pReal), dimension(constitutive_thermal_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
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thermalStateResiduum, & ! residuum from evolution in microstructure
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relThermalStateResiduum ! relative residuum from evolution in microstructure
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real(pReal), dimension(constitutive_vacancy_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
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vacancyStateResiduum, & ! residuum from evolution in microstructure
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relVacancyStateResiduum ! relative residuum from evolution in microstructure
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logical :: &
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singleRun ! flag indicating computation for single (g,i,e) triple
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@ -1811,7 +1852,8 @@ subroutine crystallite_integrateStateRKCK45()
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p = mappingConstitutive(2,g,i,e)
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if ( any(plasticState(p)%dotState(:,cc) /= plasticState(p)%dotState(:,cc)) .or.&
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any(damageState(p)%dotState(:,cc) /= damageState(p)%dotState(:,cc)) .or.&
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any(thermalState(p)%dotState(:,cc) /= thermalState(p)%dotState(:,cc))) then ! NaN occured in dotState
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any(thermalState(p)%dotState(:,cc) /= thermalState(p)%dotState(:,cc)) .or.&
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any(vacancyState(p)%dotState(:,cc) /= vacancyState(p)%dotState(:,cc))) then ! NaN occured in dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -1841,6 +1883,7 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
plasticState(p)%RKCK45dotState(stage,:,cc) = plasticState(p)%dotState(:,cc) ! store Runge-Kutta dotState
|
||||
damageState(p)%RKCK45dotState(stage,:,cc) = damageState(p)%dotState(:,cc) ! store Runge-Kutta dotState
|
||||
thermalState(p)%RKCK45dotState(stage,:,cc) = thermalState(p)%dotState(:,cc) ! store Runge-Kutta dotState
|
||||
vacancyState(p)%RKCK45dotState(stage,:,cc) = vacancyState(p)%dotState(:,cc) ! store Runge-Kutta dotState
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
|
@ -1854,6 +1897,7 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
plasticState(p)%dotState(:,cc) = A(1,stage) * plasticState(p)%RKCK45dotState(1,:,cc)
|
||||
damageState( p)%dotState(:,cc) = A(1,stage) * damageState( p)%RKCK45dotState(1,:,cc)
|
||||
thermalState(p)%dotState(:,cc) = A(1,stage) * thermalState(p)%RKCK45dotState(1,:,cc)
|
||||
vacancyState(p)%dotState(:,cc) = A(1,stage) * vacancyState(p)%RKCK45dotState(1,:,cc)
|
||||
do n = 2_pInt, stage
|
||||
plasticState(p)%dotState(:,cc) = &
|
||||
plasticState(p)%dotState(:,cc) + A(n,stage) * plasticState(p)%RKCK45dotState(n,:,cc)
|
||||
|
|
@ -1861,12 +1905,14 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
damageState( p)%dotState(:,cc) + A(n,stage) * damageState( p)%RKCK45dotState(n,:,cc)
|
||||
thermalState(p)%dotState(:,cc) = &
|
||||
thermalState(p)%dotState(:,cc) + A(n,stage) * thermalState(p)%RKCK45dotState(n,:,cc)
|
||||
vacancyState(p)%dotState(:,cc) = &
|
||||
vacancyState(p)%dotState(:,cc) + A(n,stage) * vacancyState(p)%RKCK45dotState(n,:,cc)
|
||||
enddo
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,cc)
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState,p,cc)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
p = mappingConstitutive(2,g,i,e)
|
||||
|
|
@ -1874,6 +1920,7 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
||||
mySizeDamageDotState = damageState( p)%sizeDotState
|
||||
mySizeThermalDotState = thermalState(p)%sizeDotState
|
||||
mySizeVacancyDotState = vacancyState(p)%sizeDotState
|
||||
plasticState(p)%state(1:mySizePlasticDotState,cc) = plasticState(p)%subState0(1:mySizePlasticDotState,cc) &
|
||||
+ plasticState(p)%dotState (1:mySizePlasticDotState,cc) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
|
|
@ -1883,6 +1930,9 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
thermalState(p)%state(1:mySizeThermalDotState,cc) = thermalState(p)%subState0(1:mySizeThermalDotState,cc) &
|
||||
+ thermalState(p)%dotState (1:mySizeThermalDotState,cc) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
vacancyState(p)%state(1:mySizeVacancyDotState,cc) = vacancyState(p)%subState0(1:mySizeVacancyDotState,cc) &
|
||||
+ vacancyState(p)%dotState (1:mySizeVacancyDotState,cc) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
|
@ -1961,7 +2011,8 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
cc = mappingConstitutive(1,g,i,e)
|
||||
if ( any(plasticState(p)%dotState(:,cc) /= plasticState(p)%dotState(:,cc)) .or.&
|
||||
any(damageState(p)%dotState(:,cc) /= damageState(p)%dotState(:,cc)) .or.&
|
||||
any(thermalState(p)%dotState(:,cc) /= thermalState(p)%dotState(:,cc))) then ! NaN occured in dotState
|
||||
any(thermalState(p)%dotState(:,cc) /= thermalState(p)%dotState(:,cc)) .or.&
|
||||
any(vacancyState(p)%dotState(:,cc) /= vacancyState(p)%dotState(:,cc))) then ! NaN occured in dotState
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
|
|
@ -1984,6 +2035,7 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
relStateResiduum = 0.0_pReal
|
||||
relDamageStateResiduum = 0.0_pReal
|
||||
relThermalStateResiduum = 0.0_pReal
|
||||
relVacancyStateResiduum = 0.0_pReal
|
||||
!$OMP PARALLEL
|
||||
!$OMP DO PRIVATE(p,cc)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
|
|
@ -1993,11 +2045,12 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
plasticState(p)%RKCK45dotState(6,:,cc) = plasticState(p)%dotState(:,cc) ! store Runge-Kutta dotState
|
||||
damageState( p)%RKCK45dotState(6,:,cc) = damageState( p)%dotState(:,cc) ! store Runge-Kutta dotState
|
||||
thermalState(p)%RKCK45dotState(6,:,cc) = thermalState(p)%dotState(:,cc) ! store Runge-Kutta dotState
|
||||
vacancyState(p)%RKCK45dotState(6,:,cc) = vacancyState(p)%dotState(:,cc) ! store Runge-Kutta dotState
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,cc)
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState,p,cc)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
p = mappingConstitutive(2,g,i,e)
|
||||
|
|
@ -2005,6 +2058,7 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
||||
mySizeDamageDotState = damageState( p)%sizeDotState
|
||||
mySizeThermalDotState = thermalState(p)%sizeDotState
|
||||
mySizeVacancyDotState = vacancyState(p)%sizeDotState
|
||||
|
||||
! --- absolute residuum in state ---
|
||||
! NEED TO DO THE ADDITION IN THIS LENGTHY WAY BECAUSE OF PARALLELIZATION
|
||||
|
|
@ -2026,7 +2080,7 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
+ DB(5) * damageState(p)%RKCK45dotState(5,1:mySizeDamageDotState,cc) &
|
||||
+ DB(6) * damageState(p)%RKCK45dotState(6,1:mySizeDamageDotState,cc) &
|
||||
) * crystallite_subdt(g,i,e)
|
||||
thermalStateResiduum(1:mySizethermalDotState,g,i,e) = &
|
||||
thermalStateResiduum(1:mySizeThermalDotState,g,i,e) = &
|
||||
( DB(1) * thermalState(p)%RKCK45dotState(1,1:mySizeThermalDotState,cc) &
|
||||
+ DB(2) * thermalState(p)%RKCK45dotState(2,1:mySizeThermalDotState,cc) &
|
||||
+ DB(3) * thermalState(p)%RKCK45dotState(3,1:mySizeThermalDotState,cc) &
|
||||
|
|
@ -2034,6 +2088,14 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
+ DB(5) * thermalState(p)%RKCK45dotState(5,1:mySizeThermalDotState,cc) &
|
||||
+ DB(6) * thermalState(p)%RKCK45dotState(6,1:mySizeThermalDotState,cc) &
|
||||
) * crystallite_subdt(g,i,e)
|
||||
vacancyStateResiduum(1:mySizeVacancyDotState,g,i,e) = &
|
||||
( DB(1) * vacancyState(p)%RKCK45dotState(1,1:mySizeVacancyDotState,cc) &
|
||||
+ DB(2) * vacancyState(p)%RKCK45dotState(2,1:mySizeVacancyDotState,cc) &
|
||||
+ DB(3) * vacancyState(p)%RKCK45dotState(3,1:mySizeVacancyDotState,cc) &
|
||||
+ DB(4) * vacancyState(p)%RKCK45dotState(4,1:mySizeVacancyDotState,cc) &
|
||||
+ DB(5) * vacancyState(p)%RKCK45dotState(5,1:mySizeVacancyDotState,cc) &
|
||||
+ DB(6) * vacancyState(p)%RKCK45dotState(6,1:mySizeVacancyDotState,cc) &
|
||||
) * crystallite_subdt(g,i,e)
|
||||
|
||||
! --- dot state ---
|
||||
|
||||
|
|
@ -2055,13 +2117,19 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
+ B(4) * thermalState(p)%RKCK45dotState(4,:,cc) &
|
||||
+ B(5) * thermalState(p)%RKCK45dotState(5,:,cc) &
|
||||
+ B(6) * thermalState(p)%RKCK45dotState(6,:,cc)
|
||||
vacancyState(p)%dotState (:,cc) = B(1) * vacancyState(p)%RKCK45dotState(1,:,cc) &
|
||||
+ B(2) * vacancyState(p)%RKCK45dotState(2,:,cc) &
|
||||
+ B(3) * vacancyState(p)%RKCK45dotState(3,:,cc) &
|
||||
+ B(4) * vacancyState(p)%RKCK45dotState(4,:,cc) &
|
||||
+ B(5) * vacancyState(p)%RKCK45dotState(5,:,cc) &
|
||||
+ B(6) * vacancyState(p)%RKCK45dotState(6,:,cc)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
! --- state and update ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,cc)
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState,p,cc)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
|
||||
|
|
@ -2070,6 +2138,7 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
||||
mySizeDamageDotState = damageState( p)%sizeDotState
|
||||
mySizeThermalDotState = thermalState(p)%sizeDotState
|
||||
mySizeVacancyDotState = vacancyState(p)%sizeDotState
|
||||
plasticState(p)%state(1:mySizePlasticDotState,cc) = plasticState(p)%subState0(1:mySizePlasticDotState,cc)&
|
||||
+ plasticState(p)%dotState (1:mySizePlasticDotState,cc)&
|
||||
* crystallite_subdt(g,i,e)
|
||||
|
|
@ -2079,13 +2148,16 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
thermalState(p)%state(1:mySizeThermalDotState,cc) = thermalState(p)%subState0(1:mySizeThermalDotState,cc)&
|
||||
+ thermalState(p)%dotState (1:mySizeThermalDotState,cc)&
|
||||
* crystallite_subdt(g,i,e)
|
||||
vacancyState(p)%state(1:mySizeVacancyDotState,cc) = vacancyState(p)%subState0(1:mySizeVacancyDotState,cc)&
|
||||
+ vacancyState(p)%dotState (1:mySizeVacancyDotState,cc)&
|
||||
* crystallite_subdt(g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
! --- relative residui and state convergence ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,cc,s)
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState,p,cc,s)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
p = mappingConstitutive(2,g,i,e)
|
||||
|
|
@ -2093,15 +2165,19 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
||||
mySizeDamageDotState = damageState( p)%sizeDotState
|
||||
mySizeThermalDotState = thermalState(p)%sizeDotState
|
||||
mySizeVacancyDotState = vacancyState(p)%sizeDotState
|
||||
forall (s = 1_pInt:mySizePlasticDotState, abs(plasticState(p)%state(s,cc)) > 0.0_pReal) &
|
||||
relStateResiduum(s,g,i,e) = stateResiduum(s,g,i,e) / plasticState(p)%state(s,cc)
|
||||
forall (s = 1_pInt:mySizeDamageDotState, abs(damageState( p)%state(s,cc)) > 0.0_pReal) &
|
||||
relDamageStateResiduum(s,g,i,e) = damageStateResiduum(s,g,i,e) / damageState(p)%state(s,cc)
|
||||
forall (s = 1_pInt:mySizeThermalDotState, abs(thermalState(p)%state(s,cc)) > 0.0_pReal) &
|
||||
relThermalStateResiduum(s,g,i,e) = thermalStateResiduum(s,g,i,e) / thermalState(p)%state(s,cc)
|
||||
forall (s = 1_pInt:mySizeVacancyDotState, abs(vacancyState(p)%state(s,cc)) > 0.0_pReal) &
|
||||
relVacancyStateResiduum(s,g,i,e) = vacancyStateResiduum(s,g,i,e) / vacancyState(p)%state(s,cc)
|
||||
!$OMP FLUSH(relStateResiduum)
|
||||
!$OMP FLUSH(relDamageStateResiduum)
|
||||
!$OMP FLUSH(relThermalStateResiduum)
|
||||
!$OMP FLUSH(relVacancyStateResiduum)
|
||||
! @Martin: do we need flushing? why..?
|
||||
crystallite_todo(g,i,e) = &
|
||||
( all(abs(relStateResiduum(1:mySizePlasticDotState,g,i,e)) < &
|
||||
|
|
@ -2115,7 +2191,11 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
.and. all(abs(relThermalStateResiduum(1:mySizeThermalDotState,g,i,e)) < &
|
||||
rTol_crystalliteState .or. &
|
||||
abs(thermalStateResiduum(1:mySizeThermalDotState,g,i,e)) < &
|
||||
thermalState(p)%aTolState(1:mySizeThermalDotState)))
|
||||
thermalState(p)%aTolState(1:mySizeThermalDotState)) &
|
||||
.and. all(abs(relVacancyStateResiduum(1:mySizeVacancyDotState,g,i,e)) < &
|
||||
rTol_crystalliteState .or. &
|
||||
abs(vacancyStateResiduum(1:mySizeVacancyDotState,g,i,e)) < &
|
||||
vacancyState(p)%aTolState(1:mySizeVacancyDotState)))
|
||||
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt&
|
||||
|
|
@ -2245,6 +2325,7 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
plasticState, &
|
||||
damageState, &
|
||||
thermalState, &
|
||||
vacancyState, &
|
||||
mappingConstitutive, &
|
||||
homogenization_maxNgrains
|
||||
use constitutive, only: &
|
||||
|
|
@ -2252,7 +2333,8 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
constitutive_microstructure, &
|
||||
constitutive_maxSizeDotState, &
|
||||
constitutive_damage_maxSizeDotState, &
|
||||
constitutive_thermal_maxSizeDotState
|
||||
constitutive_thermal_maxSizeDotState, &
|
||||
constitutive_vacancy_maxSizeDotState
|
||||
|
||||
implicit none
|
||||
integer(pInt) :: &
|
||||
|
|
@ -2264,7 +2346,8 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
c, &
|
||||
mySizePlasticDotState, & ! size of dot states
|
||||
mySizeDamageDotState, &
|
||||
mySizeThermalDotState
|
||||
mySizeThermalDotState, &
|
||||
mySizeVacancyDotState
|
||||
integer(pInt), dimension(2) :: &
|
||||
eIter ! bounds for element iteration
|
||||
integer(pInt), dimension(2,mesh_NcpElems) :: &
|
||||
|
|
@ -2279,6 +2362,9 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
real(pReal), dimension(constitutive_thermal_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
thermalStateResiduum, & ! residuum from evolution in micrstructure
|
||||
relThermalStateResiduum ! relative residuum from evolution in microstructure
|
||||
real(pReal), dimension(constitutive_vacancy_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
vacancyStateResiduum, & ! residuum from evolution in micrstructure
|
||||
relVacancyStateResiduum ! relative residuum from evolution in microstructure
|
||||
|
||||
logical :: &
|
||||
singleRun ! flag indicating computation for single (g,i,e) triple
|
||||
|
|
@ -2300,6 +2386,8 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
relDamageStateResiduum = 0.0_pReal
|
||||
thermalStateResiduum = 0.0_pReal
|
||||
relThermalStateResiduum = 0.0_pReal
|
||||
vacancyStateResiduum = 0.0_pReal
|
||||
relVacancyStateResiduum = 0.0_pReal
|
||||
|
||||
|
||||
integrationMode: if (numerics_integrationMode == 1_pInt) then
|
||||
|
|
@ -2324,7 +2412,8 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
c = mappingConstitutive(1,g,i,e)
|
||||
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
|
||||
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or.&
|
||||
any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
|
|
@ -2340,7 +2429,7 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
|
||||
! --- STATE UPDATE (EULER INTEGRATION) ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c)
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState,p,c)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
p = mappingConstitutive(2,g,i,e)
|
||||
|
|
@ -2348,6 +2437,7 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
||||
mySizeDamageDotState = damageState( p)%sizeDotState
|
||||
mySizeThermalDotState = thermalState(p)%sizeDotState
|
||||
mySizeVacancyDotState = vacancyState(p)%sizeDotState
|
||||
stateResiduum(1:mySizePlasticDotState,g,i,e) = - 0.5_pReal &
|
||||
* plasticState(p)%dotstate(1:mySizePlasticDotState,c) &
|
||||
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
|
||||
|
|
@ -2357,6 +2447,9 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
thermalStateResiduum(1:mySizeThermalDotState,g,i,e) = - 0.5_pReal &
|
||||
* thermalState(p)%dotstate(1:mySizeThermalDotState,c) &
|
||||
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
|
||||
vacancyStateResiduum(1:mySizeVacancyDotState,g,i,e) = - 0.5_pReal &
|
||||
* vacancyState(p)%dotstate(1:mySizeVacancyDotState,c) &
|
||||
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
|
||||
plasticState(p)%state(1:mySizePlasticDotState,c) = plasticState(p)%state(1:mySizePlasticDotState,c) &
|
||||
+ plasticState(p)%dotstate(1:mySizePlasticDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
|
|
@ -2366,6 +2459,9 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
thermalState(p)%state(1:mySizeThermalDotState,c) = thermalState(p)%state(1:mySizeThermalDotState,c) &
|
||||
+ thermalState(p)%dotstate(1:mySizeThermalDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
vacancyState(p)%state(1:mySizeVacancyDotState,c) = vacancyState(p)%state(1:mySizeVacancyDotState,c) &
|
||||
+ vacancyState(p)%dotstate(1:mySizeVacancyDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
|
@ -2444,7 +2540,8 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
c = mappingConstitutive(1,g,i,e)
|
||||
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or.&
|
||||
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or.&
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or.&
|
||||
any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
|
|
@ -2464,9 +2561,10 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
relStateResiduum = 0.0_pReal
|
||||
relDamageStateResiduum = 0.0_pReal
|
||||
relThermalStateResiduum = 0.0_pReal
|
||||
relVacancyStateResiduum = 0.0_pReal
|
||||
!$OMP END SINGLE
|
||||
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c,s)
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState,p,c,s)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
p = mappingConstitutive(2,g,i,e)
|
||||
|
|
@ -2474,6 +2572,7 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
||||
mySizeDamageDotState = damageState(p)%sizeDotState
|
||||
mySizeThermalDotState = thermalState(p)%sizeDotState
|
||||
mySizeVacancyDotState = vacancyState(p)%sizeDotState
|
||||
! --- contribution of heun step to absolute residui ---
|
||||
|
||||
stateResiduum(1:mySizePlasticDotState,g,i,e) = stateResiduum(1:mySizePlasticDotState,g,i,e) &
|
||||
|
|
@ -2485,10 +2584,14 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
thermalStateResiduum(1:mySizeThermalDotState,g,i,e) = thermalStateResiduum(1:mySizeThermalDotState,g,i,e) &
|
||||
+ 0.5_pReal * thermalState(p)%dotState(:,c) &
|
||||
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
|
||||
vacancyStateResiduum(1:mySizeVacancyDotState,g,i,e) = vacancyStateResiduum(1:mySizeVacancyDotState,g,i,e) &
|
||||
+ 0.5_pReal * vacancyState(p)%dotState(:,c) &
|
||||
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
|
||||
|
||||
!$OMP FLUSH(stateResiduum)
|
||||
!$OMP FLUSH(damageStateResiduum)
|
||||
!$OMP FLUSH(thermalStateResiduum)
|
||||
!$OMP FLUSH(vacancyStateResiduum)
|
||||
|
||||
! --- relative residui ---
|
||||
forall (s = 1_pInt:mySizePlasticDotState, abs(plasticState(p)%dotState(s,c)) > 0.0_pReal) &
|
||||
|
|
@ -2497,9 +2600,12 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
relDamageStateResiduum(s,g,i,e) = damageStateResiduum(s,g,i,e) / damageState(p)%dotState(s,c)
|
||||
forall (s = 1_pInt:mySizeThermalDotState, abs(thermalState(p)%dotState(s,c)) > 0.0_pReal) &
|
||||
relThermalStateResiduum(s,g,i,e) = thermalStateResiduum(s,g,i,e) / thermalState(p)%dotState(s,c)
|
||||
forall (s = 1_pInt:mySizeVacancyDotState, abs(vacancyState(p)%dotState(s,c)) > 0.0_pReal) &
|
||||
relVacancyStateResiduum(s,g,i,e) = vacancyStateResiduum(s,g,i,e) / vacancyState(p)%dotState(s,c)
|
||||
!$OMP FLUSH(relStateResiduum)
|
||||
!$OMP FLUSH(relDamageStateResiduum)
|
||||
!$OMP FLUSH(relthermalStateResiduum)
|
||||
!$OMP FLUSH(relVacancyStateResiduum)
|
||||
|
||||
#ifndef _OPENMP
|
||||
|
||||
|
|
@ -2529,7 +2635,11 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
.and. all(abs(relThermalStateResiduum(1:mySizeThermalDotState,g,i,e)) < &
|
||||
rTol_crystalliteState .or. &
|
||||
abs(thermalStateResiduum(1:mySizeThermalDotState,g,i,e)) < &
|
||||
thermalState(p)%aTolState(1:mySizeThermalDotState))) then
|
||||
thermalState(p)%aTolState(1:mySizeThermalDotState)) &
|
||||
.and. all(abs(relVacancyStateResiduum(1:mySizeVacancyDotState,g,i,e)) < &
|
||||
rTol_crystalliteState .or. &
|
||||
abs(vacancyStateResiduum(1:mySizeVacancyDotState,g,i,e)) < &
|
||||
vacancyState(p)%aTolState(1:mySizeVacancyDotState))) then
|
||||
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
|
||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (distributionState)
|
||||
|
|
@ -2601,6 +2711,7 @@ subroutine crystallite_integrateStateEuler()
|
|||
plasticState, &
|
||||
damageState, &
|
||||
thermalState, &
|
||||
vacancyState, &
|
||||
mappingConstitutive, &
|
||||
homogenization_Ngrains
|
||||
use constitutive, only: &
|
||||
|
|
@ -2617,7 +2728,8 @@ subroutine crystallite_integrateStateEuler()
|
|||
c, &
|
||||
mySizePlasticDotState, &
|
||||
mySizeDamageDotState, &
|
||||
mySizeThermalDotState
|
||||
mySizeThermalDotState, &
|
||||
mySizeVacancyDotState
|
||||
integer(pInt), dimension(2) :: &
|
||||
eIter ! bounds for element iteration
|
||||
integer(pInt), dimension(2,mesh_NcpElems) :: &
|
||||
|
|
@ -2657,7 +2769,8 @@ eIter = FEsolving_execElem(1:2)
|
|||
p = mappingConstitutive(2,g,i,e)
|
||||
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
|
||||
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or. &
|
||||
any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
|
||||
if (.not. crystallite_localPlasticity(g,i,e) .and. .not. numerics_timeSyncing) then ! if broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
|
|
@ -2673,7 +2786,7 @@ eIter = FEsolving_execElem(1:2)
|
|||
|
||||
! --- UPDATE STATE ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c)
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState,p,c)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
|
||||
p = mappingConstitutive(2,g,i,e)
|
||||
|
|
@ -2681,6 +2794,7 @@ eIter = FEsolving_execElem(1:2)
|
|||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
||||
mySizeDamageDotState = damageState( p)%sizeDotState
|
||||
mySizeThermalDotState = thermalState(p)%sizeDotState
|
||||
mySizeVacancyDotState = vacancyState(p)%sizeDotState
|
||||
plasticState(p)%state(1:mySizePlasticDotState,c) = plasticState(p)%state( 1:mySizePlasticDotState,c) &
|
||||
+ plasticState(p)%dotState(1:mySizePlasticDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
|
|
@ -2690,6 +2804,9 @@ eIter = FEsolving_execElem(1:2)
|
|||
thermalState(p)%state(1:mySizeThermalDotState,c) = thermalState(p)%state( 1:mySizeThermalDotState,c) &
|
||||
+ thermalState(p)%dotState(1:mySizeThermalDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
vacancyState(p)%state(1:mySizeVacancyDotState,c) = vacancyState(p)%state( 1:mySizeVacancyDotState,c) &
|
||||
+ vacancyState(p)%dotState(1:mySizeVacancyDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
|
|
@ -2820,6 +2937,7 @@ subroutine crystallite_integrateStateFPI()
|
|||
plasticState, &
|
||||
damageState, &
|
||||
thermalState, &
|
||||
vacancyState, &
|
||||
mappingConstitutive, &
|
||||
homogenization_Ngrains
|
||||
use constitutive, only: &
|
||||
|
|
@ -2827,7 +2945,8 @@ subroutine crystallite_integrateStateFPI()
|
|||
constitutive_microstructure, &
|
||||
constitutive_maxSizeDotState, &
|
||||
constitutive_damage_maxSizeDotState, &
|
||||
constitutive_thermal_maxSizeDotState
|
||||
constitutive_thermal_maxSizeDotState, &
|
||||
constitutive_vacancy_maxSizeDotState
|
||||
|
||||
implicit none
|
||||
|
||||
|
|
@ -2840,7 +2959,8 @@ subroutine crystallite_integrateStateFPI()
|
|||
c, &
|
||||
mySizePlasticDotState, & ! size of dot states
|
||||
mySizeDamageDotState, &
|
||||
mySizeThermalDotState
|
||||
mySizeThermalDotState, &
|
||||
mySizeVacancyDotState
|
||||
integer(pInt), dimension(2) :: &
|
||||
eIter ! bounds for element iteration
|
||||
integer(pInt), dimension(2,mesh_NcpElems) :: &
|
||||
|
|
@ -2851,7 +2971,8 @@ subroutine crystallite_integrateStateFPI()
|
|||
dot_prod22, &
|
||||
stateDamper, & ! damper for integration of state
|
||||
damageStateDamper, &
|
||||
thermalStateDamper
|
||||
thermalStateDamper, &
|
||||
vacancyStateDamper
|
||||
real(pReal), dimension(constitutive_maxSizeDotState) :: &
|
||||
stateResiduum, &
|
||||
tempState
|
||||
|
|
@ -2861,6 +2982,9 @@ subroutine crystallite_integrateStateFPI()
|
|||
real(pReal), dimension(constitutive_thermal_maxSizeDotState) :: &
|
||||
thermalStateResiduum, & ! residuum from evolution in micrstructure
|
||||
tempThermalState
|
||||
real(pReal), dimension(constitutive_vacancy_maxSizeDotState) :: &
|
||||
vacancyStateResiduum, & ! residuum from evolution in micrstructure
|
||||
tempVacancyState
|
||||
logical :: &
|
||||
singleRun, & ! flag indicating computation for single (g,i,e) triple
|
||||
doneWithIntegration
|
||||
|
|
@ -2888,6 +3012,10 @@ subroutine crystallite_integrateStateFPI()
|
|||
thermalState(p)%previousDotState = 0.0_pReal
|
||||
thermalState(p)%previousDotState2 = 0.0_pReal
|
||||
end forall
|
||||
forall(p = 1_pInt:size(vacancyState))
|
||||
vacancyState(p)%previousDotState = 0.0_pReal
|
||||
vacancyState(p)%previousDotState2 = 0.0_pReal
|
||||
end forall
|
||||
else
|
||||
e = eIter(1)
|
||||
i = iIter(1,e)
|
||||
|
|
@ -2900,6 +3028,8 @@ subroutine crystallite_integrateStateFPI()
|
|||
damageState( p)%previousDotState2(:,c) = 0.0_pReal
|
||||
thermalState(p)%previousDotState (:,c) = 0.0_pReal
|
||||
thermalState(p)%previousDotState2(:,c) = 0.0_pReal
|
||||
vacancyState(p)%previousDotState (:,c) = 0.0_pReal
|
||||
vacancyState(p)%previousDotState2(:,c) = 0.0_pReal
|
||||
enddo
|
||||
endif
|
||||
|
||||
|
|
@ -2926,7 +3056,8 @@ subroutine crystallite_integrateStateFPI()
|
|||
c = mappingConstitutive(1,g,i,e)
|
||||
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
|
||||
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then !NaN occured in dotState
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or. &
|
||||
any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then !NaN occured in dotState
|
||||
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
|
|
@ -2942,7 +3073,7 @@ subroutine crystallite_integrateStateFPI()
|
|||
|
||||
! --- UPDATE STATE ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c)
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState,p,c)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
p = mappingConstitutive(2,g,i,e)
|
||||
|
|
@ -2950,6 +3081,7 @@ subroutine crystallite_integrateStateFPI()
|
|||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
||||
mySizeDamageDotState = damageState( p)%sizeDotState
|
||||
mySizeThermalDotState = thermalState(p)%sizeDotState
|
||||
mySizeVacancyDotState = vacancyState(p)%sizeDotState
|
||||
plasticState(p)%state(1:mySizePlasticDotState,c) = plasticState(p)%subState0(1:mySizePlasticDotState,c) &
|
||||
+ plasticState(p)%dotState (1:mySizePlasticDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
|
|
@ -2959,6 +3091,9 @@ subroutine crystallite_integrateStateFPI()
|
|||
thermalState(p)%state(1:mySizeThermalDotState,c) = thermalState(p)%subState0(1:mySizeThermalDotState,c) &
|
||||
+ thermalState(p)%dotState (1:mySizeThermalDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
vacancyState(p)%state(1:mySizeVacancyDotState,c) = vacancyState(p)%subState0(1:mySizeVacancyDotState,c) &
|
||||
+ vacancyState(p)%dotState (1:mySizeVacancyDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
|
@ -2988,9 +3123,11 @@ subroutine crystallite_integrateStateFPI()
|
|||
plasticState(p)%previousDotState2(:,c) = plasticState(p)%previousDotState(:,c)
|
||||
damageState( p)%previousDotState2(:,c) = damageState( p)%previousDotState(:,c)
|
||||
thermalState(p)%previousDotState2(:,c) = thermalState(p)%previousDotState(:,c)
|
||||
vacancyState(p)%previousDotState2(:,c) = vacancyState(p)%previousDotState(:,c)
|
||||
plasticState(p)%previousDotState (:,c) = plasticState(p)%dotState(:,c)
|
||||
damageState( p)%previousDotState (:,c) = damageState( p)%dotState(:,c)
|
||||
thermalState(p)%previousDotState (:,c) = thermalState(p)%dotState(:,c)
|
||||
vacancyState(p)%previousDotState (:,c) = vacancyState(p)%dotState(:,c)
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
|
@ -3039,7 +3176,8 @@ subroutine crystallite_integrateStateFPI()
|
|||
c = mappingConstitutive(1,g,i,e)
|
||||
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
|
||||
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
|
||||
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or. &
|
||||
any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
|
||||
crystallite_todo(g,i,e) = .false. ! ... skip me next time
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if me is non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
|
|
@ -3056,10 +3194,10 @@ subroutine crystallite_integrateStateFPI()
|
|||
! --- UPDATE STATE ---
|
||||
|
||||
!$OMP DO PRIVATE(dot_prod12,dot_prod22, &
|
||||
!$OMP& mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState, &
|
||||
!$OMP& damageStateResiduum,thermalStateResiduum,damageStateDamper,thermalStateDamper, &
|
||||
!$OMP& tempDamageState,tempThermalState,p,c, &
|
||||
!$OMP& statedamper,stateResiduum,tempState)
|
||||
!$OMP& mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,mySizeVacancyDotState, &
|
||||
!$OMP& stateResiduum, damageStateResiduum,thermalStateResiduum,vacancyStateResiduum, &
|
||||
!$OMP& statedamper, damageStateDamper,thermalStateDamper,vacancyStateDamper, &
|
||||
!$OMP& tempState, tempDamageState,tempThermalState,tempVacancyState,p,c)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
|
||||
|
||||
|
|
@ -3068,6 +3206,7 @@ subroutine crystallite_integrateStateFPI()
|
|||
mySizePlasticDotState = plasticState(p)%sizeDotState
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||||
mySizeDamageDotState = damageState( p)%sizeDotState
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||||
mySizeThermalDotState = thermalState(p)%sizeDotState
|
||||
mySizeVacancyDotState = vacancyState(p)%sizeDotState
|
||||
|
||||
dot_prod12 = dot_product(plasticState(p)%dotState(:,c) - plasticState(p)%previousDotState(:,c), &
|
||||
plasticState(p)%previousDotState(:,c) - plasticState(p)%previousDotState2(:,c))
|
||||
|
|
@ -3107,6 +3246,19 @@ subroutine crystallite_integrateStateFPI()
|
|||
else
|
||||
thermalStateDamper = 1.0_pReal
|
||||
endif
|
||||
|
||||
dot_prod12 = dot_product(vacancyState(p)%dotState(:,c) - vacancyState(p)%previousDotState(:,c), &
|
||||
vacancyState(p)%previousDotState(:,c) - vacancyState(p)%previousDotState2(:,c))
|
||||
dot_prod22 = dot_product(vacancyState(p)%previousDotState(:,c) - vacancyState(p)%previousDotState2(:,c), &
|
||||
vacancyState(p)%previousDotState(:,c) - vacancyState(p)%previousDotState2(:,c))
|
||||
if ( dot_prod22 > 0.0_pReal &
|
||||
.and. ( dot_prod12 < 0.0_pReal &
|
||||
.or. dot_product(vacancyState(p)%dotState(:,c), &
|
||||
vacancyState(p)%previousDotState(:,c)) < 0.0_pReal) ) then
|
||||
vacancyStateDamper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
|
||||
else
|
||||
vacancyStateDamper = 1.0_pReal
|
||||
endif
|
||||
! --- get residui ---
|
||||
|
||||
stateResiduum(1:mySizePlasticDotState) = plasticState(p)%state(1:mySizePlasticDotState,c) &
|
||||
|
|
@ -3126,6 +3278,11 @@ subroutine crystallite_integrateStateFPI()
|
|||
- (thermalState(p)%dotState(1:mySizeThermalDotState,c) * thermalStateDamper &
|
||||
+ thermalState(p)%previousDotState(1:mySizeThermalDotState,c) &
|
||||
* (1.0_pReal - thermalStateDamper)) * crystallite_subdt(g,i,e)
|
||||
vacancyStateResiduum(1:mySizeVacancyDotState) = vacancyState(p)%state(1:mySizeVacancyDotState,c) &
|
||||
- vacancyState(p)%subState0(1:mySizeVacancyDotState,c) &
|
||||
- (vacancyState(p)%dotState(1:mySizeVacancyDotState,c) * vacancyStateDamper &
|
||||
+ vacancyState(p)%previousDotState(1:mySizeVacancyDotState,c) &
|
||||
* (1.0_pReal - vacancyStateDamper)) * crystallite_subdt(g,i,e)
|
||||
! --- correct state with residuum ---
|
||||
tempState(1:mySizePlasticDotState) = plasticState(p)%state(1:mySizePlasticDotState,c) &
|
||||
- stateResiduum(1:mySizePlasticDotState) ! need to copy to local variable, since we cant flush a pointer in openmp
|
||||
|
|
@ -3133,6 +3290,8 @@ subroutine crystallite_integrateStateFPI()
|
|||
- damageStateResiduum(1:mySizeDamageDotState) ! need to copy to local variable, since we cant flush a pointer in openmp
|
||||
tempThermalState(1:mySizeThermalDotState) = thermalState(p)%state(1:mySizeThermalDotState,c) &
|
||||
- thermalStateResiduum(1:mySizeThermalDotState) ! need to copy to local variable, since we cant flush a pointer in openmp
|
||||
tempVacancyState(1:mySizeVacancyDotState) = vacancyState(p)%state(1:mySizeVacancyDotState,c) &
|
||||
- vacancyStateResiduum(1:mySizeVacancyDotState) ! need to copy to local variable, since we cant flush a pointer in openmp
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
|
|
@ -3154,6 +3313,9 @@ subroutine crystallite_integrateStateFPI()
|
|||
thermalState(p)%dotState(:,c) = thermalState(p)%dotState(:,c) * thermalStateDamper &
|
||||
+ thermalState(p)%previousDotState(:,c) &
|
||||
* (1.0_pReal - thermalStateDamper)
|
||||
vacancyState(p)%dotState(:,c) = vacancyState(p)%dotState(:,c) * vacancyStateDamper &
|
||||
+ vacancyState(p)%previousDotState(:,c) &
|
||||
* (1.0_pReal - vacancyStateDamper)
|
||||
! --- converged ? ---
|
||||
if ( all( abs(stateResiduum(1:mySizePlasticDotState)) < plasticState(p)%aTolState(1:mySizePlasticDotState) &
|
||||
.or. abs(stateResiduum(1:mySizePlasticDotState)) < rTol_crystalliteState &
|
||||
|
|
@ -3163,7 +3325,10 @@ subroutine crystallite_integrateStateFPI()
|
|||
* abs(tempDamageState(1:mySizeDamageDotState)) ) &
|
||||
.and. all( abs(thermalStateResiduum(1:mySizeThermalDotState)) < thermalState(p)%aTolState(1:mySizeThermalDotState) &
|
||||
.or. abs(thermalStateResiduum(1:mySizeThermalDotState)) < rTol_crystalliteState &
|
||||
* abs(tempThermalState(1:mySizeThermalDotState)) )) then
|
||||
* abs(tempThermalState(1:mySizeThermalDotState)) ) &
|
||||
.and. all( abs(vacancyStateResiduum(1:mySizeVacancyDotState)) < vacancyState(p)%aTolState(1:mySizeVacancyDotState) &
|
||||
.or. abs(vacancyStateResiduum(1:mySizeVacancyDotState)) < rTol_crystalliteState &
|
||||
* abs(tempVacancyState(1:mySizeVacancyDotState)) )) then
|
||||
crystallite_converged(g,i,e) = .true. ! ... converged per definition
|
||||
|
||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
|
|
@ -3176,6 +3341,7 @@ subroutine crystallite_integrateStateFPI()
|
|||
plasticState(p)%state(1:mySizePlasticDotState,c) = tempState(1:mySizePlasticDotState)
|
||||
damageState( p)%state(1:mySizeDamageDotState, c) = tempDamageState(1:mySizeDamageDotState)
|
||||
thermalState(p)%state(1:mySizeThermalDotState,c) = tempThermalState(1:mySizeThermalDotState)
|
||||
vacancyState(p)%state(1:mySizeVacancyDotState,c) = tempVacancyState(1:mySizeVacancyDotState)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
|
@ -3255,8 +3421,6 @@ logical function crystallite_stateJump(g,i,e)
|
|||
mesh_NcpElems
|
||||
use material, only: &
|
||||
plasticState, &
|
||||
damageState, &
|
||||
thermalState, &
|
||||
mappingConstitutive, &
|
||||
homogenization_Ngrains
|
||||
use constitutive, only: &
|
||||
|
|
@ -3946,6 +4110,7 @@ function crystallite_postResults(ipc, ip, el)
|
|||
plasticState, &
|
||||
damageState, &
|
||||
thermalState, &
|
||||
vacancyState, &
|
||||
microstructure_crystallite, &
|
||||
crystallite_Noutput, &
|
||||
material_phase, &
|
||||
|
|
@ -3965,7 +4130,8 @@ function crystallite_postResults(ipc, ip, el)
|
|||
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,el))) + &
|
||||
1+plasticState(material_phase(ipc,ip,el))%sizePostResults + &
|
||||
damageState( material_phase(ipc,ip,el))%sizePostResults + &
|
||||
thermalState(material_phase(ipc,ip,el))%sizePostResults) :: &
|
||||
thermalState(material_phase(ipc,ip,el))%sizePostResults + &
|
||||
vacancyState(material_phase(ipc,ip,el))%sizePostResults) :: &
|
||||
crystallite_postResults
|
||||
#else
|
||||
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,el)))+ &
|
||||
|
|
|
|||
Loading…
Reference in New Issue