Merge branch '46-simplification-of-crystallite-f90-NEW5' into development
This commit is contained in:
commit
6b66563be7
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@ -819,8 +819,8 @@ subroutine crystallite_stressTangent()
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crystallite_invFi(1:3,1:3,c,i,e)) &
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crystallite_invFi(1:3,1:3,c,i,e)) &
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+ math_mul33x33(temp_33_3,dLidS(1:3,1:3,p,o))
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+ math_mul33x33(temp_33_3,dLidS(1:3,1:3,p,o))
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end forall
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end forall
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lhs_3333 = crystallite_subdt(c,i,e)*math_mul3333xx3333(dSdFe,temp_3333) + &
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lhs_3333 = crystallite_subdt(c,i,e)*math_mul3333xx3333(dSdFe,temp_3333) &
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math_mul3333xx3333(dSdFi,dFidS)
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+ math_mul3333xx3333(dSdFi,dFidS)
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call math_invert2(temp_99,error,math_identity2nd(9_pInt)+math_3333to99(lhs_3333))
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call math_invert2(temp_99,error,math_identity2nd(9_pInt)+math_3333to99(lhs_3333))
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if (error) then
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if (error) then
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@ -1350,11 +1350,10 @@ logical function integrateStress(&
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!* calculate Jacobian for correction term
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!* calculate Jacobian for correction term
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if (mod(jacoCounterLp, iJacoLpresiduum) == 0_pInt) then
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if (mod(jacoCounterLp, iJacoLpresiduum) == 0_pInt) then
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forall(o=1_pInt:3_pInt,p=1_pInt:3_pInt) &
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forall(o=1_pInt:3_pInt,p=1_pInt:3_pInt) dFe_dLp(o,1:3,p,1:3) = A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
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dFe_dLp(o,1:3,p,1:3) = A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
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dFe_dLp = - dt * dFe_dLp
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dFe_dLp = - dt * dFe_dLp
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dRLp_dLp = math_identity2nd(9_pInt) &
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dRLp_dLp = math_identity2nd(9_pInt) &
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- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
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- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
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#ifdef DEBUG
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
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.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
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@ -1536,11 +1535,8 @@ end function integrateStress
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!> using Fixed Point Iteration to adapt the stepsize
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!> using Fixed Point Iteration to adapt the stepsize
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine integrateStateFPI()
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subroutine integrateStateFPI()
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use, intrinsic :: &
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IEEE_arithmetic
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use numerics, only: &
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use numerics, only: &
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nState, &
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nState
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rTol_crystalliteState
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use mesh, only: &
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use mesh, only: &
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mesh_element
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mesh_element
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use material, only: &
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use material, only: &
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@ -1550,8 +1546,6 @@ subroutine integrateStateFPI()
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phase_Nsources, &
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phase_Nsources, &
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homogenization_Ngrains
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homogenization_Ngrains
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use constitutive, only: &
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use constitutive, only: &
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constitutive_collectDotState, &
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constitutive_microstructure, &
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constitutive_plasticity_maxSizeDotState, &
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constitutive_plasticity_maxSizeDotState, &
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constitutive_source_maxSizeDotState
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constitutive_source_maxSizeDotState
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@ -1567,13 +1561,12 @@ subroutine integrateStateFPI()
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s, &
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s, &
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sizeDotState
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sizeDotState
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real(pReal) :: &
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real(pReal) :: &
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stateDamper
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zeta
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real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: &
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real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: &
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plasticStateResiduum
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residuum_plastic ! residuum for plastic state
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real(pReal), dimension(constitutive_source_maxSizeDotState, maxval(phase_Nsources)) :: &
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real(pReal), dimension(constitutive_source_maxSizeDotState) :: &
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sourceStateResiduum
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residuum_source ! residuum for source state
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logical :: &
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logical :: &
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converged, &
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doneWithIntegration
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doneWithIntegration
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! --+>> PREGUESS FOR STATE <<+--
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! --+>> PREGUESS FOR STATE <<+--
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@ -1615,71 +1608,60 @@ subroutine integrateStateFPI()
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call update_dotState(1.0_pReal)
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call update_dotState(1.0_pReal)
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!$OMP PARALLEL
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!$OMP PARALLEL
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!$OMP DO PRIVATE(sizeDotState, &
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!$OMP DO PRIVATE(sizeDotState,residuum_plastic,residuum_source,zeta,p,c)
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!$OMP& plasticStateResiduum,sourceStateResiduum, &
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!$OMP& stateDamper, converged,p,c)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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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 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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do g = 1,homogenization_Ngrains(mesh_element(3,e))
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if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
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if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
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p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
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p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
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StateDamper = damper(plasticState(p)%dotState (:,c), &
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plasticState(p)%previousDotState (:,c), &
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plasticState(p)%previousDotState2(:,c))
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sizeDotState = plasticState(p)%sizeDotState
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sizeDotState = plasticState(p)%sizeDotState
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plasticStateResiduum(1:sizeDotState) = plasticState(p)%state (1:sizeDotState,c) &
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zeta = damper(plasticState(p)%dotState (:,c), &
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plasticState(p)%previousDotState (:,c), &
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plasticState(p)%previousDotState2(:,c))
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residuum_plastic(1:SizeDotState) = plasticState(p)%state (1:sizeDotState,c) &
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- plasticState(p)%subState0(1:sizeDotState,c) &
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- plasticState(p)%subState0(1:sizeDotState,c) &
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- ( plasticState(p)%dotState (:,c) * stateDamper &
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- ( plasticState(p)%dotState (:,c) * zeta &
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+ plasticState(p)%previousDotState(:,c) * (1.0_pReal-stateDamper) &
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+ plasticState(p)%previousDotState(:,c) * (1.0_pReal-zeta) &
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) * crystallite_subdt(g,i,e)
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) * crystallite_subdt(g,i,e)
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plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%state(1:sizeDotState,c) &
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plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%state(1:sizeDotState,c) &
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- plasticStateResiduum(1:sizeDotState)
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- residuum_plastic(1:sizeDotState)
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plasticState(p)%dotState(:,c) = plasticState(p)%dotState(:,c) * zeta &
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plasticState(p)%dotState(:,c) = plasticState(p)%dotState(:,c) * stateDamper &
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+ plasticState(p)%previousDotState(:,c) * (1.0_pReal - zeta)
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+ plasticState(p)%previousDotState(:,c) * (1.0_pReal - stateDamper)
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crystallite_converged(g,i,e) = converged(residuum_plastic(1:sizeDotState), &
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converged = all( abs(plasticStateResiduum(1:sizeDotState)) < &
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plasticState(p)%state(1:sizeDotState,c), &
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plasticState(p)%aTolState(1:sizeDotState) &
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plasticState(p)%aTolState(1:sizeDotState))
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.or. abs(plasticStateResiduum(1:sizeDotState)) < &
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rTol_crystalliteState * abs( plasticState(p)%state(1:sizeDotState,c)))
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do s = 1_pInt, phase_Nsources(p)
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do s = 1_pInt, phase_Nsources(p)
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stateDamper = damper(sourceState(p)%p(s)%dotState (:,c), &
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sourceState(p)%p(s)%previousDotState (:,c), &
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sourceState(p)%p(s)%previousDotState2(:,c))
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sizeDotState = sourceState(p)%p(s)%sizeDotState
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sizeDotState = sourceState(p)%p(s)%sizeDotState
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sourceStateResiduum(1:sizeDotState,s) = sourceState(p)%p(s)%state (1:sizeDotState,c) &
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- sourceState(p)%p(s)%subState0(1:sizeDotState,c) &
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zeta = damper(sourceState(p)%p(s)%dotState (:,c), &
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- ( sourceState(p)%p(s)%dotState (:,c) * stateDamper &
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sourceState(p)%p(s)%previousDotState (:,c), &
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+ sourceState(p)%p(s)%previousDotState(:,c) * (1.0_pReal - stateDamper) &
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sourceState(p)%p(s)%previousDotState2(:,c))
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) * crystallite_subdt(g,i,e)
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! --- correct state with residuum ---
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residuum_source(1:sizeDotState) = sourceState(p)%p(s)%state (1:sizeDotState,c) &
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sourceState(p)%p(s)%state(1:sizeDotState,c) = &
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- sourceState(p)%p(s)%subState0(1:sizeDotState,c) &
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sourceState(p)%p(s)%state(1:sizeDotState,c) &
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- ( sourceState(p)%p(s)%dotState (:,c) * zeta &
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- sourceStateResiduum(1:sizeDotState,s) ! need to copy to local variable, since we cant flush a pointer in openmp
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+ sourceState(p)%p(s)%previousDotState(:,c) * (1.0_pReal - zeta) &
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) * crystallite_subdt(g,i,e)
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sourceState(p)%p(s)%dotState(:,c) = &
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sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%state(1:sizeDotState,c) &
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sourceState(p)%p(s)%dotState(:,c) * stateDamper &
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- residuum_source(1:sizeDotState)
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+ sourceState(p)%p(s)%previousDotState(:,c) &
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sourceState(p)%p(s)%dotState(:,c) = sourceState(p)%p(s)%dotState(:,c) * zeta &
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* (1.0_pReal - stateDamper)
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+ sourceState(p)%p(s)%previousDotState(:,c)* (1.0_pReal - zeta)
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converged = converged .and. &
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crystallite_converged(g,i,e) = crystallite_converged(g,i,e) .and. &
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all( abs(sourceStateResiduum(1:sizeDotState,s)) < &
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converged(residuum_source(1:sizeDotState), &
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sourceState(p)%p(s)%aTolState(1:sizeDotState) &
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sourceState(p)%p(s)%state(1:sizeDotState,c), &
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.or. abs(sourceStateResiduum(1:sizeDotState,s)) < &
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sourceState(p)%p(s)%aTolState(1:sizeDotState))
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rTol_crystalliteState * abs(sourceState(p)%p(s)%state(1:sizeDotState,c)))
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enddo
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enddo
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endif
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if (converged) crystallite_converged(g,i,e) = .true. ! ... converged per definition
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enddo; enddo; enddo
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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!$OMP ENDDO
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! --- STATE JUMP ---
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!$OMP DO
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!$OMP DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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@ -1736,7 +1718,7 @@ subroutine integrateStateFPI()
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|
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dot_prod12 = dot_product(current - previous, previous - previous2)
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dot_prod12 = dot_product(current - previous, previous - previous2)
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dot_prod22 = dot_product(previous - previous2, previous - previous2)
|
dot_prod22 = dot_product(previous - previous2, previous - previous2)
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if (dot_prod22 > 0.0_pReal .and. (dot_prod12 < 0.0_pReal .or. dot_product(current,previous) < 0.0_pReal)) then
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if ((dot_product(current,previous) < 0.0_pReal .or. dot_prod12 < 0.0_pReal) .and. dot_prod22 > 0.0_pReal) then
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damper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
|
damper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
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else
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else
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damper = 1.0_pReal
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damper = 1.0_pReal
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@ -1771,10 +1753,6 @@ end subroutine integrateStateEuler
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!> @brief integrate stress, state with 1st order Euler method with adaptive step size
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!> @brief integrate stress, state with 1st order Euler method with adaptive step size
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!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
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subroutine integrateStateAdaptiveEuler()
|
subroutine integrateStateAdaptiveEuler()
|
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use, intrinsic :: &
|
|
||||||
IEEE_arithmetic
|
|
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use numerics, only: &
|
|
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rTol_crystalliteState
|
|
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use mesh, only: &
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use mesh, only: &
|
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mesh_element, &
|
mesh_element, &
|
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mesh_NcpElems, &
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mesh_NcpElems, &
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|
@ -1787,8 +1765,6 @@ subroutine integrateStateAdaptiveEuler()
|
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phase_Nsources, &
|
phase_Nsources, &
|
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homogenization_maxNgrains
|
homogenization_maxNgrains
|
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use constitutive, only: &
|
use constitutive, only: &
|
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constitutive_collectDotState, &
|
|
||||||
constitutive_microstructure, &
|
|
||||||
constitutive_plasticity_maxSizeDotState, &
|
constitutive_plasticity_maxSizeDotState, &
|
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constitutive_source_maxSizeDotState
|
constitutive_source_maxSizeDotState
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|
|
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|
@ -1797,150 +1773,102 @@ subroutine integrateStateAdaptiveEuler()
|
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e, & ! element index in element loop
|
e, & ! element index in element loop
|
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i, & ! integration point index in ip loop
|
i, & ! integration point index in ip loop
|
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g, & ! grain index in grain loop
|
g, & ! grain index in grain loop
|
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s, & ! state index
|
|
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p, &
|
p, &
|
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c, &
|
c, &
|
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mySource, &
|
s, &
|
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mySizePlasticDotState, & ! size of dot states
|
sizeDotState
|
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mySizeSourceDotState
|
|
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real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
|
! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of adaptive Euler
|
||||||
|
real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
|
||||||
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
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plasticStateResiduum, & ! residuum from evolution in micrstructure
|
residuum_plastic
|
||||||
relPlasticStateResiduum ! relative residuum from evolution in microstructure
|
|
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real(pReal), dimension(constitutive_source_maxSizeDotState,&
|
real(pReal), dimension(constitutive_source_maxSizeDotState,&
|
||||||
maxval(phase_Nsources), &
|
maxval(phase_Nsources), &
|
||||||
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||||
sourceStateResiduum, & ! residuum from evolution in micrstructure
|
residuum_source
|
||||||
relSourceStateResiduum ! relative residuum from evolution in microstructure
|
|
||||||
|
|
||||||
logical :: &
|
|
||||||
converged
|
|
||||||
|
|
||||||
|
|
||||||
plasticStateResiduum = 0.0_pReal
|
|
||||||
relPlasticStateResiduum = 0.0_pReal
|
|
||||||
sourceStateResiduum = 0.0_pReal
|
|
||||||
relSourceStateResiduum = 0.0_pReal
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! contribution to state and relative residui and from Euler integration
|
! contribution to state and relative residui and from Euler integration
|
||||||
call update_dotState(1.0_pReal)
|
call update_dotState(1.0_pReal)
|
||||||
|
|
||||||
!$OMP PARALLEL DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,c)
|
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c)
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
||||||
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
|
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
|
||||||
|
sizeDotState = plasticState(p)%sizeDotState
|
||||||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
|
||||||
plasticStateResiduum(1:mySizePlasticDotState,g,i,e) = &
|
residuum_plastic(1:sizeDotState,g,i,e) = plasticState(p)%dotstate(1:sizeDotState,c) &
|
||||||
- 0.5_pReal &
|
* (- 0.5_pReal * crystallite_subdt(g,i,e))
|
||||||
* plasticState(p)%dotstate(1:mySizePlasticDotState,c) &
|
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%state(1:sizeDotState,c) &
|
||||||
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
|
+ plasticState(p)%dotstate(1:sizeDotState,c) * crystallite_subdt(g,i,e) !ToDo: state, partitioned state?
|
||||||
plasticState(p)%state (1:mySizePlasticDotState,c) = &
|
do s = 1_pInt, phase_Nsources(p)
|
||||||
plasticState(p)%state (1:mySizePlasticDotState,c) &
|
sizeDotState = sourceState(p)%p(s)%sizeDotState
|
||||||
+ plasticState(p)%dotstate(1:mySizePlasticDotState,c) &
|
|
||||||
* crystallite_subdt(g,i,e)
|
residuum_source(1:sizeDotState,s,g,i,e) = sourceState(p)%p(s)%dotstate(1:sizeDotState,c) &
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
* (- 0.5_pReal * crystallite_subdt(g,i,e))
|
||||||
mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState
|
sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%state(1:sizeDotState,c) &
|
||||||
sourceStateResiduum(1:mySizeSourceDotState,mySource,g,i,e) = &
|
+ sourceState(p)%p(s)%dotstate(1:sizeDotState,c) * crystallite_subdt(g,i,e) !ToDo: state, partitioned state?
|
||||||
- 0.5_pReal &
|
|
||||||
* sourceState(p)%p(mySource)%dotstate(1:mySizeSourceDotState,c) &
|
|
||||||
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
|
|
||||||
sourceState(p)%p(mySource)%state (1:mySizeSourceDotState,c) = &
|
|
||||||
sourceState(p)%p(mySource)%state (1:mySizeSourceDotState,c) &
|
|
||||||
+ sourceState(p)%p(mySource)%dotstate(1:mySizeSourceDotState,c) &
|
|
||||||
* crystallite_subdt(g,i,e)
|
|
||||||
enddo
|
enddo
|
||||||
endif
|
endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP END PARALLEL DO
|
!$OMP END PARALLEL DO
|
||||||
|
|
||||||
call update_deltaState
|
call update_deltaState
|
||||||
call update_dependentState
|
call update_dependentState
|
||||||
call update_stress(1.0_pReal)
|
call update_stress(1.0_pReal)
|
||||||
call update_dotState(1.0_pReal)
|
call update_dotState(1.0_pReal)
|
||||||
|
|
||||||
relPlasticStateResiduum = 0.0_pReal
|
|
||||||
relSourceStateResiduum = 0.0_pReal
|
|
||||||
|
|
||||||
|
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c)
|
||||||
!$OMP PARALLEL DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,converged,p,c,s)
|
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
if (crystallite_todo(g,i,e)) then
|
||||||
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
|
|
||||||
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
|
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
|
||||||
|
sizeDotState = plasticState(p)%sizeDotState
|
||||||
|
|
||||||
|
residuum_plastic(1:sizeDotState,g,i,e) = residuum_plastic(1:sizeDotState,g,i,e) &
|
||||||
|
+ 0.5_pReal * plasticState(p)%dotState(:,c) * crystallite_subdt(g,i,e)
|
||||||
|
|
||||||
|
crystallite_converged(g,i,e) = converged(residuum_plastic(1:sizeDotState,g,i,e), &
|
||||||
|
plasticState(p)%state(1:sizeDotState,c), &
|
||||||
|
plasticState(p)%aTolState(1:sizeDotState))
|
||||||
|
|
||||||
! --- contribution of heun step to absolute residui ---
|
do s = 1_pInt, phase_Nsources(p)
|
||||||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
sizeDotState = sourceState(p)%p(s)%sizeDotState
|
||||||
plasticStateResiduum(1:mySizePlasticDotState,g,i,e) = &
|
|
||||||
plasticStateResiduum(1:mySizePlasticDotState,g,i,e) &
|
residuum_source(1:sizeDotState,s,g,i,e) = residuum_source(1:sizeDotState,s,g,i,e) &
|
||||||
+ 0.5_pReal * plasticState(p)%dotState(:,c) &
|
+ 0.5_pReal * sourceState(p)%p(s)%dotState(:,c) * crystallite_subdt(g,i,e)
|
||||||
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
|
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
|
||||||
mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState
|
|
||||||
sourceStateResiduum(1:mySizeSourceDotState,mySource,g,i,e) = &
|
|
||||||
sourceStateResiduum(1:mySizeSourceDotState,mySource,g,i,e) &
|
|
||||||
+ 0.5_pReal * sourceState(p)%p(mySource)%dotState(:,c) &
|
|
||||||
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
|
|
||||||
enddo
|
|
||||||
|
|
||||||
! --- relative residui ---
|
crystallite_converged(g,i,e) = crystallite_converged(g,i,e) .and.&
|
||||||
forall (s = 1_pInt:mySizePlasticDotState, abs(plasticState(p)%dotState(s,c)) > 0.0_pReal) &
|
converged(residuum_source(1:sizeDotState,s,g,i,e), &
|
||||||
relPlasticStateResiduum(s,g,i,e) = &
|
sourceState(p)%p(s)%state(1:sizeDotState,c), &
|
||||||
plasticStateResiduum(s,g,i,e) / plasticState(p)%dotState(s,c)
|
sourceState(p)%p(s)%aTolState(1:sizeDotState))
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
enddo
|
||||||
mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState
|
|
||||||
forall (s = 1_pInt:mySizeSourceDotState,abs(sourceState(p)%p(mySource)%dotState(s,c)) > 0.0_pReal) &
|
|
||||||
relSourceStateResiduum(s,mySource,g,i,e) = &
|
|
||||||
sourceStateResiduum(s,mySource,g,i,e) / sourceState(p)%p(mySource)%dotState(s,c)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
! --- converged ? ---
|
|
||||||
converged = all(abs(relPlasticStateResiduum(1:mySizePlasticDotState,g,i,e)) < &
|
|
||||||
rTol_crystalliteState .or. &
|
|
||||||
abs(plasticStateResiduum(1:mySizePlasticDotState,g,i,e)) < &
|
|
||||||
plasticState(p)%aTolState(1:mySizePlasticDotState))
|
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
|
||||||
mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState
|
|
||||||
converged = converged .and. &
|
|
||||||
all(abs(relSourceStateResiduum(1:mySizeSourceDotState,mySource,g,i,e)) < &
|
|
||||||
rTol_crystalliteState .or. &
|
|
||||||
abs(sourceStateResiduum(1:mySizeSourceDotState,mySource,g,i,e)) < &
|
|
||||||
sourceState(p)%p(mySource)%aTolState(1:mySizeSourceDotState))
|
|
||||||
enddo
|
|
||||||
if (converged) crystallite_converged(g,i,e) = .true. ! ... converged per definition
|
|
||||||
endif
|
endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP END PARALLEL DO
|
!$OMP END PARALLEL DO
|
||||||
|
|
||||||
if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck
|
if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck
|
||||||
|
|
||||||
end subroutine integrateStateAdaptiveEuler
|
end subroutine integrateStateAdaptiveEuler
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief integrate stress, state with 4th order explicit Runge Kutta method
|
!> @brief integrate stress, state with 4th order explicit Runge Kutta method
|
||||||
|
! ToDo: This is totally BROKEN: RK4dotState is never used!!!
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine integrateStateRK4()
|
subroutine integrateStateRK4()
|
||||||
use, intrinsic :: &
|
|
||||||
IEEE_arithmetic
|
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
mesh_element, &
|
mesh_element
|
||||||
mesh_NcpElems
|
|
||||||
use material, only: &
|
use material, only: &
|
||||||
homogenization_Ngrains, &
|
homogenization_Ngrains, &
|
||||||
plasticState, &
|
plasticState, &
|
||||||
sourceState, &
|
sourceState, &
|
||||||
phase_Nsources, &
|
phase_Nsources, &
|
||||||
phaseAt, phasememberAt
|
phaseAt, phasememberAt
|
||||||
use config, only: &
|
|
||||||
material_Nphase
|
|
||||||
use constitutive, only: &
|
|
||||||
constitutive_collectDotState, &
|
|
||||||
constitutive_microstructure
|
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
real(pReal), dimension(4), parameter :: &
|
real(pReal), dimension(4), parameter :: &
|
||||||
|
@ -1954,78 +1882,39 @@ subroutine integrateStateRK4()
|
||||||
p, & ! phase loop
|
p, & ! phase loop
|
||||||
c, &
|
c, &
|
||||||
n, &
|
n, &
|
||||||
mySource
|
s
|
||||||
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
|
|
||||||
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
|
|
||||||
gIter ! bounds for grain iteration
|
|
||||||
logical :: singleRun ! flag indicating computation for single (g,i,e) triple
|
|
||||||
|
|
||||||
eIter = FEsolving_execElem(1:2)
|
|
||||||
do e = eIter(1),eIter(2)
|
|
||||||
iIter(1:2,e) = FEsolving_execIP(1:2,e)
|
|
||||||
gIter(1:2,e) = [ 1_pInt,homogenization_Ngrains(mesh_element(3,e))]
|
|
||||||
enddo
|
|
||||||
|
|
||||||
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! initialize dotState
|
|
||||||
if (.not. singleRun) then
|
|
||||||
do p = 1_pInt, material_Nphase
|
|
||||||
plasticState(p)%RK4dotState = 0.0_pReal
|
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
|
||||||
sourceState(p)%p(mySource)%RK4dotState = 0.0_pReal
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
else
|
|
||||||
e = eIter(1)
|
|
||||||
i = iIter(1,e)
|
|
||||||
do g = gIter(1,e), gIter(2,e)
|
|
||||||
plasticState(phaseAt(g,i,e))%RK4dotState(:,phasememberAt(g,i,e)) = 0.0_pReal
|
|
||||||
do mySource = 1_pInt, phase_Nsources(phaseAt(g,i,e))
|
|
||||||
sourceState(phaseAt(g,i,e))%p(mySource)%RK4dotState(:,phasememberAt(g,i,e)) = 0.0_pReal
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
endif
|
|
||||||
|
|
||||||
call update_dotState(1.0_pReal)
|
call update_dotState(1.0_pReal)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! --- SECOND TO FOURTH RUNGE KUTTA STEP PLUS FINAL INTEGRATION ---
|
|
||||||
|
|
||||||
do n = 1_pInt,4_pInt
|
do n = 1_pInt,4_pInt
|
||||||
! --- state update ---
|
|
||||||
|
|
||||||
!$OMP PARALLEL
|
!$OMP PARALLEL DO PRIVATE(p,c)
|
||||||
!$OMP DO PRIVATE(p,c)
|
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
p = phaseAt(g,i,e)
|
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
|
||||||
c = phasememberAt(g,i,e)
|
|
||||||
plasticState(p)%RK4dotState(:,c) = plasticState(p)%RK4dotState(:,c) &
|
plasticState(p)%RK4dotState(:,c) = WEIGHT(n)*plasticState(p)%dotState(:,c) &
|
||||||
+ weight(n)*plasticState(p)%dotState(:,c)
|
+ merge(plasticState(p)%RK4dotState(:,c),0.0_pReal,n>1_pInt)
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
do s = 1_pInt, phase_Nsources(p)
|
||||||
sourceState(p)%p(mySource)%RK4dotState(:,c) = sourceState(p)%p(mySource)%RK4dotState(:,c) &
|
sourceState(p)%p(s)%RK4dotState(:,c) = WEIGHT(n)*sourceState(p)%p(s)%dotState(:,c) &
|
||||||
+ weight(n)*sourceState(p)%p(mySource)%dotState(:,c)
|
+ merge(sourceState(p)%p(s)%RK4dotState(:,c),0.0_pReal,n>1_pInt)
|
||||||
enddo
|
enddo
|
||||||
endif
|
endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$OMP END PARALLEL DO
|
||||||
!$OMP END PARALLEL
|
|
||||||
|
|
||||||
call update_state(TIMESTEPFRACTION(n))
|
call update_state(TIMESTEPFRACTION(n))
|
||||||
call update_deltaState
|
call update_deltaState
|
||||||
call update_dependentState
|
call update_dependentState
|
||||||
call update_stress(TIMESTEPFRACTION(n))
|
call update_stress(TIMESTEPFRACTION(n))
|
||||||
|
|
||||||
! --- dot state and RK dot state---
|
! --- dot state and RK dot state---
|
||||||
|
|
||||||
first3steps: if (n < 4) then
|
first3steps: if (n < 4) then
|
||||||
call update_dotState(timeStepFraction(n))
|
call update_dotState(TIMESTEPFRACTION(n))
|
||||||
endif first3steps
|
endif first3steps
|
||||||
|
|
||||||
|
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
|
@ -2040,10 +1929,6 @@ end subroutine integrateStateRK4
|
||||||
!> adaptive step size (use 5th order solution to advance = "local extrapolation")
|
!> adaptive step size (use 5th order solution to advance = "local extrapolation")
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine integrateStateRKCK45()
|
subroutine integrateStateRKCK45()
|
||||||
use, intrinsic :: &
|
|
||||||
IEEE_arithmetic
|
|
||||||
use numerics, only: &
|
|
||||||
rTol_crystalliteState
|
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
mesh_element, &
|
mesh_element, &
|
||||||
mesh_NcpElems, &
|
mesh_NcpElems, &
|
||||||
|
@ -2056,10 +1941,8 @@ subroutine integrateStateRKCK45()
|
||||||
phaseAt, phasememberAt, &
|
phaseAt, phasememberAt, &
|
||||||
homogenization_maxNgrains
|
homogenization_maxNgrains
|
||||||
use constitutive, only: &
|
use constitutive, only: &
|
||||||
constitutive_collectDotState, &
|
|
||||||
constitutive_plasticity_maxSizeDotState, &
|
constitutive_plasticity_maxSizeDotState, &
|
||||||
constitutive_source_maxSizeDotState, &
|
constitutive_source_maxSizeDotState
|
||||||
constitutive_microstructure
|
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
real(pReal), dimension(5,5), parameter :: &
|
real(pReal), dimension(5,5), parameter :: &
|
||||||
|
@ -2087,76 +1970,58 @@ subroutine integrateStateRKCK45()
|
||||||
i, & ! integration point index in ip loop
|
i, & ! integration point index in ip loop
|
||||||
g, & ! grain index in grain loop
|
g, & ! grain index in grain loop
|
||||||
stage, & ! stage index in integration stage loop
|
stage, & ! stage index in integration stage loop
|
||||||
s, & ! state index
|
|
||||||
n, &
|
n, &
|
||||||
p, &
|
p, &
|
||||||
cc, &
|
cc, &
|
||||||
mySource, &
|
s, &
|
||||||
mySizePlasticDotState, & ! size of dot States
|
sizeDotState
|
||||||
mySizeSourceDotState
|
|
||||||
|
|
||||||
|
! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of RKCK45
|
||||||
|
|
||||||
real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
|
real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
|
||||||
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||||
plasticStateResiduum, & ! residuum from evolution in microstructure
|
residuum_plastic ! relative residuum from evolution in microstructure
|
||||||
relPlasticStateResiduum ! relative residuum from evolution in microstructure
|
|
||||||
real(pReal), dimension(constitutive_source_maxSizeDotState, &
|
real(pReal), dimension(constitutive_source_maxSizeDotState, &
|
||||||
maxval(phase_Nsources), &
|
maxval(phase_Nsources), &
|
||||||
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||||
sourceStateResiduum, & ! residuum from evolution in microstructure
|
residuum_source ! relative residuum from evolution in microstructure
|
||||||
relSourceStateResiduum ! relative residuum from evolution in microstructure
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
call update_dotState(1.0_pReal)
|
call update_dotState(1.0_pReal)
|
||||||
|
|
||||||
|
|
||||||
! --- SECOND TO SIXTH RUNGE KUTTA STEP ---
|
! --- SECOND TO SIXTH RUNGE KUTTA STEP ---
|
||||||
|
|
||||||
do stage = 1_pInt,5_pInt
|
do stage = 1_pInt,5_pInt
|
||||||
|
|
||||||
! --- state update ---
|
! --- state update ---
|
||||||
|
|
||||||
!$OMP PARALLEL
|
!$OMP PARALLEL DO PRIVATE(p,cc)
|
||||||
!$OMP DO PRIVATE(p,cc)
|
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
p = phaseAt(g,i,e)
|
p = phaseAt(g,i,e); cc = phasememberAt(g,i,e)
|
||||||
cc = phasememberAt(g,i,e)
|
|
||||||
plasticState(p)%RKCK45dotState(stage,:,cc) = plasticState(p)%dotState(:,cc) ! store Runge-Kutta dotState
|
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
|
||||||
sourceState(p)%p(mySource)%RKCK45dotState(stage,:,cc) = sourceState(p)%p(mySource)%dotState(:,cc)
|
|
||||||
enddo
|
|
||||||
endif
|
|
||||||
enddo; enddo; enddo
|
|
||||||
!$OMP ENDDO
|
|
||||||
|
|
||||||
!$OMP DO PRIVATE(p,cc,n)
|
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
|
||||||
if (crystallite_todo(g,i,e)) then
|
|
||||||
p = phaseAt(g,i,e)
|
|
||||||
cc = phasememberAt(g,i,e)
|
|
||||||
|
|
||||||
|
plasticState(p)%RKCK45dotState(stage,:,cc) = plasticState(p)%dotState(:,cc)
|
||||||
plasticState(p)%dotState(:,cc) = A(1,stage) * plasticState(p)%RKCK45dotState(1,:,cc)
|
plasticState(p)%dotState(:,cc) = A(1,stage) * plasticState(p)%RKCK45dotState(1,:,cc)
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
|
||||||
sourceState(p)%p(mySource)%dotState(:,cc) = A(1,stage) * sourceState(p)%p(mySource)%RKCK45dotState(1,:,cc)
|
do s = 1_pInt, phase_Nsources(p)
|
||||||
|
sourceState(p)%p(s)%RKCK45dotState(stage,:,cc) = sourceState(p)%p(s)%dotState(:,cc)
|
||||||
|
sourceState(p)%p(s)%dotState(:,cc) = A(1,stage) * sourceState(p)%p(s)%RKCK45dotState(1,:,cc)
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
do n = 2_pInt, stage
|
do n = 2_pInt, stage
|
||||||
plasticState(p)%dotState(:,cc) = &
|
plasticState(p)%dotState(:,cc) = plasticState(p)%dotState(:,cc) &
|
||||||
plasticState(p)%dotState(:,cc) + A(n,stage) * plasticState(p)%RKCK45dotState(n,:,cc)
|
+ A(n,stage) * plasticState(p)%RKCK45dotState(n,:,cc)
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
do s = 1_pInt, phase_Nsources(p)
|
||||||
sourceState(p)%p(mySource)%dotState(:,cc) = &
|
sourceState(p)%p(s)%dotState(:,cc) = sourceState(p)%p(s)%dotState(:,cc) &
|
||||||
sourceState(p)%p(mySource)%dotState(:,cc) + A(n,stage) * sourceState(p)%p(mySource)%RKCK45dotState(n,:,cc)
|
+ A(n,stage) * sourceState(p)%p(s)%RKCK45dotState(n,:,cc)
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
endif
|
endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$OMP END PARALLEL DO
|
||||||
!$OMP END PARALLEL
|
|
||||||
|
|
||||||
call update_state(1.0_pReal) !MD: 1.0 correct?
|
call update_state(1.0_pReal) !MD: 1.0 correct?
|
||||||
call update_deltaState
|
call update_deltaState
|
||||||
|
@ -2170,103 +2035,76 @@ subroutine integrateStateRKCK45()
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! --- STATE UPDATE WITH ERROR ESTIMATE FOR STATE ---
|
! --- STATE UPDATE WITH ERROR ESTIMATE FOR STATE ---
|
||||||
|
|
||||||
relPlasticStateResiduum = 0.0_pReal
|
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,cc)
|
||||||
relSourceStateResiduum = 0.0_pReal
|
|
||||||
!$OMP PARALLEL
|
|
||||||
!$OMP DO PRIVATE(p,cc)
|
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
p = phaseAt(g,i,e)
|
p = phaseAt(g,i,e); cc = phasememberAt(g,i,e)
|
||||||
cc = phasememberAt(g,i,e)
|
|
||||||
plasticState(p)%RKCK45dotState(6,:,cc) = plasticState (p)%dotState(:,cc) ! store Runge-Kutta dotState
|
sizeDotState = plasticState(p)%sizeDotState
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
|
||||||
sourceState(p)%p(mySource)%RKCK45dotState(6,:,cc) = sourceState(p)%p(mySource)%dotState(:,cc) ! store Runge-Kutta dotState
|
plasticState(p)%RKCK45dotState(6,:,cc) = plasticState (p)%dotState(:,cc)
|
||||||
enddo
|
|
||||||
endif
|
residuum_plastic(1:sizeDotState,g,i,e) = &
|
||||||
enddo; enddo; enddo
|
matmul(transpose(plasticState(p)%RKCK45dotState(1:6,1:sizeDotState,cc)),DB) & ! why transpose? Better to transpose constant DB
|
||||||
!$OMP ENDDO
|
|
||||||
|
|
||||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,cc)
|
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
|
||||||
if (crystallite_todo(g,i,e)) then
|
|
||||||
p = phaseAt(g,i,e)
|
|
||||||
cc = phasememberAt(g,i,e)
|
|
||||||
|
|
||||||
! --- absolute residuum in state ---
|
|
||||||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
|
||||||
plasticStateResiduum(1:mySizePlasticDotState,g,i,e) = &
|
|
||||||
matmul(transpose(plasticState(p)%RKCK45dotState(1:6,1:mySizePlasticDotState,cc)),DB) &
|
|
||||||
* crystallite_subdt(g,i,e)
|
* crystallite_subdt(g,i,e)
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
|
||||||
mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState
|
plasticState(p)%dotState(:,cc) = &
|
||||||
sourceStateResiduum(1:mySizeSourceDotState,mySource,g,i,e) = &
|
matmul(transpose(plasticState(p)%RKCK45dotState(1:6,1:sizeDotState,cc)), B) ! why transpose? Better to transpose constant B
|
||||||
matmul(transpose(sourceState(p)%p(mySource)%RKCK45dotState(1:6,1:mySizeSourceDotState,cc)),DB) &
|
|
||||||
|
do s = 1_pInt, phase_Nsources(p)
|
||||||
|
sizeDotState = sourceState(p)%p(s)%sizeDotState
|
||||||
|
|
||||||
|
sourceState(p)%p(s)%RKCK45dotState(6,:,cc) = sourceState(p)%p(s)%dotState(:,cc)
|
||||||
|
|
||||||
|
residuum_source(1:sizeDotState,s,g,i,e) = &
|
||||||
|
matmul(transpose(sourceState(p)%p(s)%RKCK45dotState(1:6,1:sizeDotState,cc)),DB) &
|
||||||
* crystallite_subdt(g,i,e)
|
* crystallite_subdt(g,i,e)
|
||||||
enddo
|
|
||||||
|
|
||||||
! --- dot state ---
|
sourceState(p)%p(s)%dotState(:,cc) = &
|
||||||
plasticState(p)%dotState(:,cc) = &
|
matmul(transpose(sourceState(p)%p(s)%RKCK45dotState(1:6,1:sizeDotState,cc)),B)
|
||||||
matmul(transpose(plasticState(p)%RKCK45dotState(1:6,1:mySizePlasticDotState,cc)), B)
|
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
|
||||||
mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState
|
|
||||||
sourceState(p)%p(mySource)%dotState(:,cc) = &
|
|
||||||
matmul(transpose(sourceState(p)%p(mySource)%RKCK45dotState(1:6,1:mySizeSourceDotState,cc)),B)
|
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
endif
|
endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$OMP END PARALLEL DO
|
||||||
!$OMP END PARALLEL
|
|
||||||
|
|
||||||
call update_state(1.0_pReal)
|
call update_state(1.0_pReal)
|
||||||
|
|
||||||
!$OMP PARALLEL
|
|
||||||
! --- relative residui and state convergence ---
|
! --- relative residui and state convergence ---
|
||||||
|
|
||||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,cc,s)
|
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,cc)
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
p = phaseAt(g,i,e)
|
p = phaseAt(g,i,e); cc = phasememberAt(g,i,e)
|
||||||
cc = phasememberAt(g,i,e)
|
|
||||||
mySizePlasticDotState = plasticState(p)%sizeDotState
|
sizeDotState = plasticState(p)%sizeDotState
|
||||||
forall (s = 1_pInt:mySizePlasticDotState, abs(plasticState(p)%state(s,cc)) > 0.0_pReal) &
|
|
||||||
relPlasticStateResiduum(s,g,i,e) = &
|
crystallite_todo(g,i,e) = converged(residuum_plastic(1:sizeDotState,g,i,e), &
|
||||||
plasticStateResiduum(s,g,i,e) / plasticState(p)%state(s,cc)
|
plasticState(p)%state(1:sizeDotState,cc), &
|
||||||
|
plasticState(p)%aTolState(1:sizeDotState))
|
||||||
|
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
do s = 1_pInt, phase_Nsources(p)
|
||||||
mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState
|
sizeDotState = sourceState(p)%p(s)%sizeDotState
|
||||||
forall (s = 1_pInt:mySizeSourceDotState,abs(sourceState(p)%p(mySource)%state(s,cc)) > 0.0_pReal) &
|
|
||||||
relSourceStateResiduum(s,mySource,g,i,e) = &
|
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and.&
|
||||||
sourceStateResiduum(s,mySource,g,i,e) / sourceState(p)%p(mySource)%state(s,cc)
|
converged(residuum_source(1:sizeDotState,s,g,i,e), &
|
||||||
enddo
|
sourceState(p)%p(s)%state(1:sizeDotState,cc), &
|
||||||
crystallite_todo(g,i,e) = all(abs(relPlasticStateResiduum(1:mySizePlasticDotState,g,i,e)) < &
|
sourceState(p)%p(s)%aTolState(1:sizeDotState))
|
||||||
rTol_crystalliteState .or. &
|
enddo
|
||||||
abs(plasticStateResiduum(1:mySizePlasticDotState,g,i,e)) < &
|
|
||||||
plasticState(p)%aTolState(1:mySizePlasticDotState))
|
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
|
||||||
mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState
|
|
||||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. &
|
|
||||||
all(abs(relSourceStateResiduum(1:mySizeSourceDotState,mySource,g,i,e)) < &
|
|
||||||
rTol_crystalliteState .or. &
|
|
||||||
abs(sourceStateResiduum(1:mySizeSourceDotState,mySource,g,i,e)) < &
|
|
||||||
sourceState(p)%p(mySource)%aTolState(1:mySizeSourceDotState))
|
|
||||||
enddo
|
|
||||||
endif
|
endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$OMP END PARALLEL DO
|
||||||
!$OMP END PARALLEL
|
|
||||||
|
|
||||||
call update_deltaState
|
call update_deltaState
|
||||||
call update_dependentState
|
call update_dependentState
|
||||||
call update_stress(1.0_pReal)
|
call update_stress(1.0_pReal)
|
||||||
call setConvergenceFlag
|
call setConvergenceFlag
|
||||||
if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck
|
if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck
|
||||||
|
|
||||||
end subroutine integrateStateRKCK45
|
end subroutine integrateStateRKCK45
|
||||||
|
|
||||||
|
|
||||||
|
@ -2308,6 +2146,24 @@ subroutine setConvergenceFlag()
|
||||||
end subroutine setConvergenceFlag
|
end subroutine setConvergenceFlag
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief determines whether a point is converged
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
logical pure function converged(residuum,state,aTol)
|
||||||
|
use prec, only: &
|
||||||
|
dEq0
|
||||||
|
use numerics, only: &
|
||||||
|
rTol => rTol_crystalliteState
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
real(pReal), intent(in), dimension(:) ::&
|
||||||
|
residuum, state, aTol
|
||||||
|
|
||||||
|
converged = all(abs(residuum) <= max(aTol, rTol*abs(state)))
|
||||||
|
|
||||||
|
end function converged
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Standard forwarding of state as state = state0 + dotState * (delta t)
|
!> @brief Standard forwarding of state as state = state0 + dotState * (delta t)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
@ -2449,7 +2305,7 @@ subroutine update_dotState(timeFraction)
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
||||||
!$OMP FLUSH(nonlocalStop)
|
!$OMP FLUSH(nonlocalStop)
|
||||||
if (nonlocalStop .or. (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e))) then
|
if ((crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) .and. .not. nonlocalStop) then
|
||||||
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
|
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
|
||||||
crystallite_Fe, &
|
crystallite_Fe, &
|
||||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||||
|
@ -2493,9 +2349,8 @@ subroutine update_deltaState
|
||||||
i, & !< integration point index in ip loop
|
i, & !< integration point index in ip loop
|
||||||
g, & !< grain index in grain loop
|
g, & !< grain index in grain loop
|
||||||
p, &
|
p, &
|
||||||
mySize, &
|
mySize, &
|
||||||
myOffset, &
|
myOffset, &
|
||||||
mySource, &
|
|
||||||
c, &
|
c, &
|
||||||
s
|
s
|
||||||
logical :: &
|
logical :: &
|
||||||
|
@ -2504,12 +2359,12 @@ subroutine update_deltaState
|
||||||
|
|
||||||
nonlocalStop = .false.
|
nonlocalStop = .false.
|
||||||
|
|
||||||
!$OMP PARALLEL DO PRIVATE(p,c,myOffset,mySize,mySource,NaN)
|
!$OMP PARALLEL DO PRIVATE(p,c,myOffset,mySize,NaN)
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
||||||
!$OMP FLUSH(nonlocalStop)
|
!$OMP FLUSH(nonlocalStop)
|
||||||
if (nonlocalStop .or. (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e))) then
|
if ((crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) .and. .not. nonlocalStop) then
|
||||||
call constitutive_collectDeltaState(math_6toSym33(crystallite_Tstar_v(1:6,g,i,e)), &
|
call constitutive_collectDeltaState(math_6toSym33(crystallite_Tstar_v(1:6,g,i,e)), &
|
||||||
crystallite_Fe(1:3,1:3,g,i,e), &
|
crystallite_Fe(1:3,1:3,g,i,e), &
|
||||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||||
|
@ -2524,15 +2379,15 @@ subroutine update_deltaState
|
||||||
plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) = &
|
plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) = &
|
||||||
plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) + &
|
plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) + &
|
||||||
plasticState(p)%deltaState(1:mySize,c)
|
plasticState(p)%deltaState(1:mySize,c)
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
do s = 1_pInt, phase_Nsources(p)
|
||||||
myOffset = sourceState(p)%p(mySource)%offsetDeltaState
|
myOffset = sourceState(p)%p(s)%offsetDeltaState
|
||||||
mySize = sourceState(p)%p(mySource)%sizeDeltaState
|
mySize = sourceState(p)%p(s)%sizeDeltaState
|
||||||
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(1:mySize,c)))
|
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(s)%deltaState(1:mySize,c)))
|
||||||
|
|
||||||
if (.not. NaN) then
|
if (.not. NaN) then
|
||||||
sourceState(p)%p(mySource)%state(myOffset + 1_pInt:myOffset +mySize,c) = &
|
sourceState(p)%p(s)%state(myOffset + 1_pInt:myOffset +mySize,c) = &
|
||||||
sourceState(p)%p(mySource)%state(myOffset + 1_pInt:myOffset +mySize,c) + &
|
sourceState(p)%p(s)%state(myOffset + 1_pInt:myOffset +mySize,c) + &
|
||||||
sourceState(p)%p(mySource)%deltaState(1:mySize,c)
|
sourceState(p)%p(s)%deltaState(1:mySize,c)
|
||||||
endif
|
endif
|
||||||
enddo
|
enddo
|
||||||
endif
|
endif
|
||||||
|
|
Loading…
Reference in New Issue