diff --git a/src/crystallite.f90 b/src/crystallite.f90 index f230aebeb..3d8e4b841 100644 --- a/src/crystallite.f90 +++ b/src/crystallite.f90 @@ -1404,7 +1404,7 @@ end subroutine integrateStateRK4 !> adaptive step size (use 5th order solution to advance = "local extrapolation") !-------------------------------------------------------------------------------------------------- subroutine integrateStateRKCK45 - + real(pReal), dimension(5,5), parameter :: & A = reshape([& .2_pReal, .075_pReal, .3_pReal, -11.0_pReal/54.0_pReal, 1631.0_pReal/55296.0_pReal, & @@ -1413,7 +1413,7 @@ subroutine integrateStateRKCK45 .0_pReal, .0_pReal, .0_pReal, 35.0_pReal/27.0_pReal, 44275.0_pReal/110592.0_pReal, & .0_pReal, .0_pReal, .0_pReal, .0_pReal, 253.0_pReal/4096.0_pReal], & [5,5], order=[2,1]) !< coefficients in Butcher tableau (used for preliminary integration in stages 2 to 6) - + real(pReal), dimension(6), parameter :: & B = & [37.0_pReal/378.0_pReal, .0_pReal, 250.0_pReal/621.0_pReal, & @@ -1421,10 +1421,10 @@ subroutine integrateStateRKCK45 DB = B - & [2825.0_pReal/27648.0_pReal, .0_pReal, 18575.0_pReal/48384.0_pReal,& 13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 0.25_pReal] !< coefficients in Butcher tableau (used for final integration and error estimate) - + real(pReal), dimension(5), parameter :: & CC = [0.2_pReal, 0.3_pReal, 0.6_pReal, 1.0_pReal, 0.875_pReal] !< coefficients in Butcher tableau (fractions of original time step in stages 2 to 6) - + integer :: & e, & ! element index in element loop i, & ! integration point index in ip loop @@ -1437,7 +1437,7 @@ subroutine integrateStateRKCK45 sizeDotState logical :: & nonlocalBroken - + real(pReal), dimension(constitutive_plasticity_maxSizeDotState, & homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: & residuum_plastic @@ -1445,30 +1445,30 @@ subroutine integrateStateRKCK45 maxval(phase_Nsources), & homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: & residuum_source - - + + call update_dotState(1.0_pReal) - + nonlocalBroken = .false. - + !$OMP PARALLEL DO PRIVATE(sizeDotState,p,c) do e = FEsolving_execElem(1),FEsolving_execElem(2) do i = FEsolving_execIP(1),FEsolving_execIP(2) do g = 1,homogenization_Ngrains(material_homogenizationAt(e)) if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then - + p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e) - + do stage = 1,5 - + plasticState(p)%RKCK45dotState(stage,:,c) = plasticState(p)%dotState(:,c) plasticState(p)%dotState(:,c) = A(1,stage) * plasticState(p)%RKCK45dotState(1,:,c) - + do s = 1, phase_Nsources(p) sourceState(p)%p(s)%RKCK45dotState(stage,:,c) = sourceState(p)%p(s)%dotState(:,c) sourceState(p)%p(s)%dotState(:,c) = A(1,stage) * sourceState(p)%p(s)%RKCK45dotState(1,:,c) enddo - + do n = 2, stage plasticState(p)%dotState(:,c) = plasticState(p)%dotState(:,c) & + A(n,stage) * plasticState(p)%RKCK45dotState(n,:,c) @@ -1477,7 +1477,7 @@ subroutine integrateStateRKCK45 + A(n,stage) * sourceState(p)%p(s)%RKCK45dotState(n,:,c) enddo enddo - + sizeDotState = plasticState(p)%sizeDotState plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) & + plasticState(p)%dotState (1:sizeDotState,c) & @@ -1488,16 +1488,16 @@ subroutine integrateStateRKCK45 + sourceState(p)%p(s)%dotState (1:sizeDotState,c) & * crystallite_subdt(g,i,e) enddo - + call constitutive_dependentState(crystallite_Fe(1:3,1:3,g,i,e), & crystallite_Fp(1:3,1:3,g,i,e), & g, i, e) - + crystallite_todo(g,i,e) = integrateStress(g,i,e,CC(stage)) if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) & nonlocalBroken = .true. if(.not. crystallite_todo(g,i,e)) cycle - + call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), & crystallite_partionedF0, & crystallite_Fi(1:3,1:3,g,i,e), & @@ -1510,9 +1510,9 @@ subroutine integrateStateRKCK45 if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) & nonlocalBroken = .true. if(.not. crystallite_todo(g,i,e)) cycle - + enddo - + if(.not. crystallite_todo(g,i,e)) exit sizeDotState = plasticState(p)%sizeDotState @@ -1537,14 +1537,23 @@ subroutine integrateStateRKCK45 matmul(B,sourceState(p)%p(s)%RKCK45dotState(1:6,1:sizeDotState,c)) enddo + sizeDotState = plasticState(p)%sizeDotState + plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) & + + plasticState(p)%dotState (1:sizeDotState,c) & + * crystallite_subdt(g,i,e) + do s = 1, phase_Nsources(p) + sizeDotState = sourceState(p)%p(s)%sizeDotState + sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%subState0(1:sizeDotState,c) & + + sourceState(p)%p(s)%dotState (1:sizeDotState,c) & + * crystallite_subdt(g,i,e) + enddo + endif enddo; enddo; enddo !$OMP END PARALLEL DO if(nonlocalBroken) where(.not. crystallite_localPlasticity) crystallite_todo = .false. - call update_state(1.0_pReal) - ! --- relative residui and state convergence --- !$OMP PARALLEL DO PRIVATE(sizeDotState,p,c) @@ -1575,7 +1584,7 @@ subroutine integrateStateRKCK45 call update_deltaState call update_dependentState call update_stress(1.0_pReal) - + call setConvergenceFlag if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck