!############################################################## MODULE CPFEM !############################################################## ! *** CPFEM engine *** ! use prec, only: pReal,pInt implicit none ! ! **************************************************************** ! *** General variables for the material behaviour calculation *** ! **************************************************************** real(pReal), dimension (:,:), allocatable :: CPFEM_Temperature real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ffn_bar real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ffn1_bar real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_PK1_bar real(pReal), dimension (:,:,:,:,:,:),allocatable :: CPFEM_dPdF_bar real(pReal), dimension (:,:,:), allocatable :: CPFEM_stress_bar real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jaco_bar real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jaco_knownGood real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_results real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Lp real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_old real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_new real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, CPFEM_odd_jacobian = 1e50_pReal integer(pInt) :: CPFEM_Nresults = 4_pInt ! three Euler angles plus volume fraction logical :: CPFEM_init_done = .false. ! remember if init has been done already logical :: CPFEM_calc_done = .false. ! remember if first IP has already calced the results ! CONTAINS ! !********************************************************* !*** allocate the arrays defined in module CPFEM *** !*** and initialize them *** !********************************************************* SUBROUTINE CPFEM_init(Temperature) ! use prec use math, only: math_EulertoR, math_I3, math_identity2nd use mesh use constitutive ! implicit none ! real(pReal) Temperature integer(pInt) e,i,g ! ! *** mpie.marc parameters *** allocate(CPFEM_Temperature (mesh_maxNips,mesh_NcpElems)) ; CPFEM_Temperature = Temperature allocate(CPFEM_ffn_bar (3,3,mesh_maxNips,mesh_NcpElems)) forall(e=1:mesh_NcpElems,i=1:mesh_maxNips) CPFEM_ffn_bar(:,:,i,e) = math_I3 allocate(CPFEM_ffn1_bar (3,3,mesh_maxNips,mesh_NcpElems)) ; CPFEM_ffn1_bar = CPFEM_ffn_bar allocate(CPFEM_PK1_bar (3,3,mesh_maxNips,mesh_NcpElems)) ; CPFEM_PK1_bar = 0.0_pReal allocate(CPFEM_dPdF_bar(3,3,3,3,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dPdF_bar = 0.0_pReal allocate(CPFEM_stress_bar(6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_stress_bar = 0.0_pReal allocate(CPFEM_jaco_bar(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_jaco_bar = 0.0_pReal allocate(CPFEM_jaco_knownGood(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_jaco_knownGood = 0.0_pReal ! ! *** User defined results !!! MISSING incorporate consti_Nresults *** allocate(CPFEM_results(CPFEM_Nresults+constitutive_maxNresults,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) CPFEM_results = 0.0_pReal ! ! *** Plastic velocity gradient *** allocate(CPFEM_Lp(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; CPFEM_Lp = 0.0_pReal ! *** Plastic deformation gradient at (t=t0) and (t=t1) *** allocate(CPFEM_Fp_new(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; CPFEM_Fp_new = 0.0_pReal allocate(CPFEM_Fp_old(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) forall (e=1:mesh_NcpElems,i=1:mesh_maxNips,g=1:constitutive_maxNgrains) & CPFEM_Fp_old(:,:,g,i,e) = math_EulerToR(constitutive_EulerAngles(:,g,i,e)) ! plastic def gradient reflects init orientation ! ! *** Output to MARC output file *** !$OMP CRITICAL (write2out) write(6,*) write(6,*) 'CPFEM Initialization' write(6,*) write(6,*) 'CPFEM_Temperature: ', shape(CPFEM_Temperature) write(6,*) 'CPFEM_ffn_bar: ', shape(CPFEM_ffn_bar) write(6,*) 'CPFEM_ffn1_bar: ', shape(CPFEM_ffn1_bar) write(6,*) 'CPFEM_PK1_bar: ', shape(CPFEM_PK1_bar) write(6,*) 'CPFEM_dPdF_bar: ', shape(CPFEM_dPdF_bar) write(6,*) 'CPFEM_stress_bar: ', shape(CPFEM_stress_bar) write(6,*) 'CPFEM_jaco_bar: ', shape(CPFEM_jaco_bar) write(6,*) 'CPFEM_jaco_knownGood: ', shape(CPFEM_jaco_knownGood) write(6,*) 'CPFEM_results: ', shape(CPFEM_results) write(6,*) 'CPFEM_Lp: ', shape(CPFEM_Lp) write(6,*) 'CPFEM_Fp_old: ', shape(CPFEM_Fp_old) write(6,*) 'CPFEM_Fp_new: ', shape(CPFEM_Fp_new) write(6,*) call flush(6) !$OMP END CRITICAL (write2out) return ! END SUBROUTINE ! ! !*********************************************************************** !*** perform initialization at first call, update variables and *** !*** call the actual material model *** ! ! CPFEM_mode computation mode (regular, collection, recycle) ! ffn deformation gradient for t=t0 ! ffn1 deformation gradient for t=t1 ! Temperature temperature ! CPFEM_dt time increment ! CPFEM_en element number ! CPFEM_in intergration point number ! CPFEM_stress stress vector in Mandel notation ! CPFEM_updateJaco flag to initiate computation of Jacobian ! CPFEM_jaco jacobian in Mandel notation ! CPFEM_ngens size of stress strain law !*********************************************************************** SUBROUTINE CPFEM_general(CPFEM_mode, ffn, ffn1, Temperature, CPFEM_dt,& CPFEM_en, CPFEM_in, CPFEM_stress, CPFEM_updateJaco, CPFEM_jaco, CPFEM_ngens) ! note: CPFEM_stress = Cauchy stress cs(6) and CPFEM_jaco = Consistent tangent dcs/de ! use prec, only: pReal,pInt use FEsolving use debug use math use mesh, only: mesh_init,mesh_FEasCP, mesh_NcpElems, FE_Nips, FE_mapElemtype, mesh_element use lattice, only: lattice_init use constitutive, only: constitutive_init,constitutive_state_old,constitutive_state_new,material_Cslip_66 implicit none ! integer(pInt) CPFEM_en, CPFEM_in, cp_en, CPFEM_ngens, i,j,k,l,m,n, e real(pReal), dimension (3,3) :: ffn,ffn1,Kirchhoff_bar real(pReal), dimension (3,3,3,3) :: H_bar real(pReal), dimension(CPFEM_ngens) :: CPFEM_stress real(pReal), dimension(CPFEM_ngens,CPFEM_ngens) :: CPFEM_jaco, odd_jaco real(pReal) Temperature,CPFEM_dt,J_inverse integer(pInt) CPFEM_mode ! 1: regular computation with aged results& ! 2: regular computation& ! 3: collection of FEM data& ! 4: recycling of former results (MARC speciality)& ! 5: record tangent from former converged inc& ! 6: restore tangent from former converged inc logical CPFEM_updateJaco ! if (.not. CPFEM_init_done) then ! initialization step (three dimensional stress state check missing?) call math_init() call mesh_init() call lattice_init() call constitutive_init() call CPFEM_init(Temperature) CPFEM_init_done = .true. endif ! cp_en = mesh_FEasCP('elem',CPFEM_en) if (cp_en == 1 .and. CPFEM_in == 1) & write(6,'(a10,1x,f8.4,1x,a10,1x,i4,1x,a10,1x,i3,1x,a10,1x,i2,x,a10,1x,i2)') & 'theTime',theTime,'theInc',theInc,'theCycle',theCycle,'theLovl',theLovl,& 'mode',CPFEM_mode ! select case (CPFEM_mode) case (2,1) ! regular computation (with aging of results) if (any(abs(ffn1 - CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en)) > relevantStrain)) then CPFEM_stress_bar(1:CPFEM_ngens,:,:) = CPFEM_odd_stress odd_jaco = CPFEM_odd_jacobian*math_identity2nd(CPFEM_ngens) forall (i=1:mesh_NcpElems, j=1:FE_Nips(mesh_element(2,e))) & CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,j,i) = odd_jaco outdatedFFN1 = .true. if (.not. CPFEM_calc_done .AND.CPFEM_mode == 1) then CPFEM_Fp_old = CPFEM_Fp_new constitutive_state_old = constitutive_state_new endif !$OMP CRITICAL (write2out) write(6,*) 'WARNING: FFN1 changed for ip', CPFEM_in, 'of element', cp_en !$OMP END CRITICAL (write2out) return else if (.not. CPFEM_calc_done) then ! puuh, me needs doing all the work... if (CPFEM_mode == 1) then ! age results at start of new increment CPFEM_Fp_old = CPFEM_Fp_new constitutive_state_old = constitutive_state_new endif debug_cutbackDistribution = 0_pInt ! initialize debugging data debug_InnerLoopDistribution = 0_pInt debug_OuterLoopDistribution = 0_pInt ! !$OMP PARALLEL DO do e=1,mesh_NcpElems ! ## this shall be done in a parallel loop in the future ## do i=1,FE_Nips(mesh_element(2,e)) ! iterate over all IPs of this element's type debugger = (e==1 .and. i==1) ! switch on debugging for first IP in first element call CPFEM_MaterialPoint(CPFEM_updateJaco, CPFEM_dt, i, e) enddo enddo !$OMP END PARALLEL DO call debug_info() ! output of debugging/performance statistics CPFEM_calc_done = .true. ! now calc is done endif ! translate from P and dP/dF to CS and dCS/dE !!$OMP CRITICAL (evilmatmul) Kirchhoff_bar = math_mul33x33(CPFEM_PK1_bar(:,:,CPFEM_in, cp_en),transpose(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en))) !!$OMP END CRITICAL (evilmatmul) J_inverse = 1.0_pReal/math_det3x3(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en)) CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en) = math_Mandel33to6(J_inverse*Kirchhoff_bar) ! H_bar = 0.0_pReal forall(i=1:3,j=1:3,k=1:3,l=1:3,m=1:3,n=1:3) & H_bar(i,j,k,l) = H_bar(i,j,k,l) + & CPFEM_ffn1_bar(j,m,CPFEM_in,cp_en) * & CPFEM_ffn1_bar(l,n,CPFEM_in,cp_en) * & CPFEM_dPdF_bar(i,m,k,n,CPFEM_in,cp_en) - & math_I3(j,l)*CPFEM_ffn1_bar(i,m,CPFEM_in,cp_en)*CPFEM_PK1_bar(k,m,CPFEM_in,cp_en) + & 0.5_pReal*(math_I3(i,k)*Kirchhoff_bar(j,l) + math_I3(j,l)*Kirchhoff_bar(i,k) + & math_I3(i,l)*Kirchhoff_bar(j,k) + math_I3(j,k)*Kirchhoff_bar(i,l)) ! Do we have to symmetrize H_bar? CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en) = math_Mandel3333to66(J_inverse*H_bar) ! if (CPFEM_in==8 .and. cp_en==80) then ! do e=1,80 ! do i=1,8 ! write(6,*) ! write(6,*) e, i ! write(6,*) CPFEM_stress_bar(1:CPFEM_ngens,i,e) ! write(6,*) ! write(6,*) CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,i,e) ! enddo ! enddo ! endif ! endif case (3) ! collect and return odd result CPFEM_Temperature(CPFEM_in,cp_en) = Temperature CPFEM_ffn_bar(:,:,CPFEM_in,cp_en) = ffn CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en) = ffn1 CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en) = CPFEM_odd_stress CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en) = CPFEM_odd_jacobian*math_identity2nd(CPFEM_ngens) CPFEM_calc_done = .false. ! if (CPFEM_in==8 .and. cp_en==80) then ! do e=1,80 ! do i=1,8 ! write(6,*) ! write(6,*) e, i ! write(6,*) ffn1 ! enddo ! enddo ! endif case (4) ! do nothing since we can recycle the former results (MARC specialty) case (5) ! record consistent tangent at beginning of new increment CPFEM_jaco_knownGood = CPFEM_jaco_bar case (6) ! restore consistent tangent after cutback CPFEM_jaco_bar = CPFEM_jaco_knownGood end select ! ! return the local stress and the jacobian from storage CPFEM_stress(1:CPFEM_ngens) = CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en) CPFEM_jaco(1:CPFEM_ngens,1:CPFEM_ngens) = CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en) ! return ! END SUBROUTINE ! ! !********************************************************** !*** calculate the material point behaviour *** !********************************************************** SUBROUTINE CPFEM_MaterialPoint(& updateJaco,& ! flag to initiate Jacobian updating CPFEM_dt,& ! Time increment (dt) CPFEM_in,& ! Integration point number cp_en) ! Element number ! use prec use FEsolving, only: theCycle use debug use math, only: math_pDecomposition,math_RtoEuler,inDeg,math_I3,math_invert3x3,math_permut,math_invert,math_delta use IO, only: IO_error use mesh, only: mesh_element use crystallite use constitutive implicit none ! character(len=128) msg integer(pInt) cp_en,CPFEM_in,grain logical updateJaco,error real(pReal) CPFEM_dt,volfrac real(pReal), dimension(3,3) :: U,R,Fe1 real(pReal), dimension(3,3) :: PK1 real(pReal), dimension(3,3,3,3) :: dPdF,dPdF_bar_old ! CPFEM_PK1_bar(:,:,CPFEM_in,cp_en) = 0.0_pReal ! zero out average first PK stress if (updateJaco) then dPdF_bar_old = CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) ! remember former average consistent tangent CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) = 0.0_pReal ! zero out avg consistent tangent for later assembly endif do grain = 1,texture_Ngrains(mesh_element(4,cp_en)) dPdF = dPdF_bar_old ! preguess consistent tangent of grain with avg call SingleCrystallite(msg,PK1,dPdF,& CPFEM_results(5:4+constitutive_Nresults(grain,CPFEM_in,cp_en),grain,CPFEM_in,cp_en),& CPFEM_Lp(:,:,grain,CPFEM_in,cp_en),& CPFEM_Fp_new(:,:,grain,CPFEM_in,cp_en),Fe1,constitutive_state_new(:,grain,CPFEM_in,cp_en),& ! output up to here CPFEM_dt,cp_en,CPFEM_in,grain,updateJaco,& CPFEM_Temperature(CPFEM_in,cp_en),& CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en),CPFEM_ffn_bar(:,:,CPFEM_in,cp_en),& CPFEM_Fp_old(:,:,grain,CPFEM_in,cp_en),constitutive_state_old(:,grain,CPFEM_in,cp_en)) if (msg /= 'ok') then ! solution not reached --> exit !$OMP CRITICAL (write2out) write(6,*) 'grain loop failed to converge @ EL:',cp_en,' IP:',CPFEM_in !$OMP END CRITICAL (write2out) call IO_error(600) return endif volfrac = constitutive_matVolFrac(grain,CPFEM_in,cp_en)*constitutive_texVolFrac(grain,CPFEM_in,cp_en) CPFEM_PK1_bar(:,:,CPFEM_in,cp_en) = CPFEM_PK1_bar(:,:,CPFEM_in,cp_en) + volfrac*PK1 if (updateJaco) CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) = & CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) + volfrac*dPdF ! add up crystallite stiffnesses ! (may have "holes" corresponding ! to former avg tangent) ! ! update results plotted in MENTAT call math_pDecomposition(Fe1,U,R,error) ! polar decomposition if (error) then !$OMP CRITICAL (write2out) write(6,*) 'polar decomposition of', Fe1 write(6,*) 'Grain: ',grain write(6,*) 'Integration point: ',CPFEM_in write(6,*) 'Element: ',mesh_element(1,cp_en) !$OMP END CRITICAL (write2out) call IO_error(650) return endif CPFEM_results(1:3,grain,CPFEM_in,cp_en) = math_RtoEuler(transpose(R))*inDeg ! orientation CPFEM_results(4 ,grain,CPFEM_in,cp_en) = volfrac ! volume fraction of orientation enddo ! grain ! return ! END SUBROUTINE ! END MODULE !##############################################################