!-------------------------------------------------------------------------------------------------- !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @brief CPFEM engine !-------------------------------------------------------------------------------------------------- module CPFEM use DAMASK_interface use prec use IO use YAML_types use YAML_parse use HDF5_utilities use results use config use math use rotations use lattice use material use phase use homogenization use discretization use discretization_marc implicit none private real(pReal), dimension (:,:,:), allocatable, private :: & CPFEM_cs !< Cauchy stress real(pReal), dimension (:,:,:,:), allocatable, private :: & CPFEM_dcsdE !< Cauchy stress tangent real(pReal), dimension (:,:,:,:), allocatable, private :: & CPFEM_dcsdE_knownGood !< known good tangent integer(pInt), public :: & cycleCounter = 0_pInt !< needs description integer(pInt), parameter, public :: & CPFEM_CALCRESULTS = 2_pInt**0_pInt, & CPFEM_AGERESULTS = 2_pInt**1_pInt, & CPFEM_BACKUPJACOBIAN = 2_pInt**2_pInt, & CPFEM_RESTOREJACOBIAN = 2_pInt**3_pInt type, private :: tNumerics integer :: & iJacoStiffness !< frequency of stiffness update end type tNumerics type(tNumerics), private :: num type, private :: tDebugOptions logical :: & basic, & extensive, & selective integer:: & element, & ip end type tDebugOptions type(tDebugOptions), private :: debugCPFEM public :: & CPFEM_general, & CPFEM_initAll, & CPFEM_results contains !-------------------------------------------------------------------------------------------------- !> @brief Initialize all modules. !-------------------------------------------------------------------------------------------------- subroutine CPFEM_initAll call DAMASK_interface_init call prec_init call IO_init call YAML_types_init call YAML_parse_init call HDF5_utilities_init call results_init(.false.) call config_init call math_init call rotations_init call lattice_init call discretization_marc_init call material_init(.false.) call phase_init call homogenization_init call crystallite_init call CPFEM_init call config_deallocate end subroutine CPFEM_initAll !-------------------------------------------------------------------------------------------------- !> @brief allocate the arrays defined in module CPFEM and initialize them !-------------------------------------------------------------------------------------------------- subroutine CPFEM_init class(tNode), pointer :: & debug_CPFEM print'(/,1x,a)', '<<<+- CPFEM init -+>>>'; flush(IO_STDOUT) allocate(CPFEM_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal) allocate(CPFEM_dcsdE( 6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal) allocate(CPFEM_dcsdE_knownGood(6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal) !------------------------------------------------------------------------------ ! read debug options debug_CPFEM => config_debug%get('CPFEM',defaultVal=emptyList) debugCPFEM%basic = debug_CPFEM%contains('basic') debugCPFEM%extensive = debug_CPFEM%contains('extensive') debugCPFEM%selective = debug_CPFEM%contains('selective') debugCPFEM%element = config_debug%get_asInt('element',defaultVal = 1) debugCPFEM%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1) if(debugCPFEM%basic) then print'(a32,1x,6(i8,1x))', 'CPFEM_cs: ', shape(CPFEM_cs) print'(a32,1x,6(i8,1x))', 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE) print'(a32,1x,6(i8,1x),/)', 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood) flush(IO_STDOUT) endif end subroutine CPFEM_init !-------------------------------------------------------------------------------------------------- !> @brief perform initialization at first call, update variables and call the actual material model !-------------------------------------------------------------------------------------------------- subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyStress, jacobian) integer(pInt), intent(in) :: elFE, & !< FE element number ip !< integration point number real(pReal), intent(in) :: dt !< time increment real(pReal), dimension (3,3), intent(in) :: ffn, & !< deformation gradient for t=t0 ffn1 !< deformation gradient for t=t1 integer(pInt), intent(in) :: mode !< computation mode 1: regular computation plus aging of results real(pReal), intent(in) :: temperature_inp !< temperature real(pReal), dimension(6), intent(out) :: cauchyStress !< stress as 6 vector real(pReal), dimension(6,6), intent(out) :: jacobian !< jacobian as 66 tensor (Consistent tangent dcs/dE) real(pReal) J_inverse, & ! inverse of Jacobian rnd real(pReal), dimension (3,3) :: Kirchhoff ! Piola-Kirchhoff stress real(pReal), dimension (3,3,3,3) :: H_sym, & H integer(pInt) elCP, & ! crystal plasticity element number i, j, k, l, m, n, ph, homog, mySource,ce real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress if terminallyIll ODD_JACOBIAN = 1e50_pReal !< return value for jacobian if terminallyIll elCP = discretization_Marc_FEM2DAMASK_elem(elFE) ce = discretization_Marc_FEM2DAMASK_cell(ip,elFE) if (debugCPFEM%basic .and. elCP == debugCPFEM%element .and. ip == debugCPFEM%ip) then print'(/,a)', '#############################################' print'(a1,a22,1x,i8,a13)', '#','element', elCP, '#' print'(a1,a22,1x,i8,a13)', '#','ip', ip, '#' print'(a1,a22,1x,i8,a13)', '#','cycleCounter', cycleCounter, '#' print'(a1,a22,1x,i8,a13)', '#','computationMode',mode, '#' if (terminallyIll) & print'(a,/)', '# --- terminallyIll --- #' print'(a,/)', '#############################################'; flush (6) endif if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) & CPFEM_dcsde_knownGood = CPFEM_dcsde if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) & CPFEM_dcsde = CPFEM_dcsde_knownGood if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) call CPFEM_forward homogenization_F0(1:3,1:3,ce) = ffn homogenization_F(1:3,1:3,ce) = ffn1 if (iand(mode, CPFEM_CALCRESULTS) /= 0_pInt) then validCalculation: if (terminallyIll) then call random_number(rnd) if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6) else validCalculation if (debugCPFEM%extensive) print'(a,i8,1x,i2)', '<< CPFEM >> calculation for elFE ip ',elFE,ip call homogenization_mechanical_response(dt,[ip,ip],[elCP,elCP]) if (.not. terminallyIll) & call homogenization_mechanical_response2(dt,[ip,ip],[elCP,elCP]) terminalIllness: if (terminallyIll) then call random_number(rnd) if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6) else terminalIllness ! translate from P to sigma Kirchhoff = matmul(homogenization_P(1:3,1:3,ce), transpose(homogenization_F(1:3,1:3,ce))) J_inverse = 1.0_pReal / math_det33(homogenization_F(1:3,1:3,ce)) CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.) ! translate from dP/dF to dCS/dE H = 0.0_pReal do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3 H(i,j,k,l) = H(i,j,k,l) & + homogenization_F(j,m,ce) * homogenization_F(l,n,ce) & * homogenization_dPdF(i,m,k,n,ce) & - math_delta(j,l) * homogenization_F(i,m,ce) * homogenization_P(k,m,ce) & + 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) & + Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k)) enddo; enddo; enddo; enddo; enddo; enddo forall(i=1:3, j=1:3,k=1:3,l=1:3) & H_sym(i,j,k,l) = 0.25_pReal * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k)) CPFEM_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.) endif terminalIllness endif validCalculation if (debugCPFEM%extensive & .and. ((debugCPFEM%element == elCP .and. debugCPFEM%ip == ip) .or. .not. debugCPFEM%selective)) then print'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)', & '<< CPFEM >> stress/MPa at elFE ip ', elFE, ip, CPFEM_cs(1:6,ip,elCP)*1.0e-6_pReal print'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))', & '<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal flush(IO_STDOUT) endif endif if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip) cauchyStress = CPFEM_cs (1:6, ip,elCP) jacobian = CPFEM_dcsdE(1:6,1:6,ip,elCP) end subroutine CPFEM_general !-------------------------------------------------------------------------------------------------- !> @brief Forward data for new time increment. !-------------------------------------------------------------------------------------------------- subroutine CPFEM_forward call homogenization_forward call phase_forward end subroutine CPFEM_forward !-------------------------------------------------------------------------------------------------- !> @brief Trigger writing of results. !-------------------------------------------------------------------------------------------------- subroutine CPFEM_results(inc,time) integer(pInt), intent(in) :: inc real(pReal), intent(in) :: time call results_openJobFile call results_addIncrement(inc,time) call phase_results call homogenization_results call discretization_results call results_finalizeIncrement call results_closeJobFile end subroutine CPFEM_results end module CPFEM