diff --git a/trunk/CPFEM_Taylor_sequential.f90 b/trunk/CPFEM_Taylor_sequential.f90 new file mode 100644 index 000000000..25ca68c3b --- /dev/null +++ b/trunk/CPFEM_Taylor_sequential.f90 @@ -0,0 +1,324 @@ +!############################################################## + 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 whether init has been done already + logical :: CPFEM_calc_done = .false. ! remember whether first IP has already calced the results + logical :: CPFEM_results_aged = .false. ! remember whether results have been aged at inc start +! + 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 + + if (CPFEM_mode /= 1) CPFEM_results_aged = .false. + + select case (CPFEM_mode) + + case (2,1) ! *** regular computation (with aging of results) *** + if (CPFEM_mode == 1 .and. & + .not. CPFEM_results_aged) then ! age results at start of new increment + CPFEM_Fp_old = CPFEM_Fp_new + constitutive_state_old = constitutive_state_new + CPFEM_results_aged = .true. ! aging is done + write (6,*) ')))))))))))))) results aged (((((((((((((((',cp_en,CPFEM_in + endif + + CPFEM_Temperature(CPFEM_in,cp_en) = Temperature ! store temperature + CPFEM_ffn_bar(:,:,CPFEM_in,cp_en) = ffn ! store def grad for start of inc + CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en) = ffn1 ! store def grad for end of inc + debugger = (cp_en == 1160 .and. CPFEM_in == 6) ! switch on debugging + call CPFEM_MaterialPoint(CPFEM_updateJaco, CPFEM_dt, CPFEM_in, cp_en) ! call for result at this IP + +! translate from P and dP/dF to CS and dCS/dE + + Kirchhoff_bar = math_mul33x33(CPFEM_PK1_bar(:,:,CPFEM_in, cp_en),transpose(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en))) + 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)) + CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en) = math_Mandel3333to66(J_inverse*H_bar) + + 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. + + 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) + if (debugger) write (6,'(a,/,6(6(f9.3,x)/))') 'stiffness / GPa',CPFEM_jaco(1:CPFEM_ngens,:)/1e9_pReal + + +! + 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 + + if (debugger) then +!$OMP CRITICAL (write2out) + write (6,*) 'single crystallite integrating.',cp_en,CPFEM_in,grain + write (6,'(a,/,3(3(f12.7,x)/))') 'Fg',CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en) + write (6,'(a,/,3(3(f12.7,x)/))') 'Lp (guess)',CPFEM_Lp(1:3,:,grain,CPFEM_in,cp_en) + write (6,'(a,/,3(3(f12.7,x)/))') 'Fp (old)',CPFEM_Fp_old(1:3,:,grain,CPFEM_in,cp_en) + write (6,'(a,/,3(4(f9.3,x)/))') 'state (old) / MPa',constitutive_state_old(:,grain,CPFEM_in,cp_en)/1e6_pReal + write (6,'(a,/,3(4(f9.3,x)/))') 'state (new) / MPa',constitutive_state_new(:,grain,CPFEM_in,cp_en)/1e6_pReal + write (6,*) +!$OMP END CRITICAL (write2out) + endif + + 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 + + if (debugger) then +!$OMP CRITICAL (write2out) + write (6,*) msg + write (6,*) 'single crystallite convergence reached.',cp_en,CPFEM_in,grain + write (6,'(a,/,3(3(f12.7,x)/))') 'Lp',CPFEM_Lp(1:3,:,grain,CPFEM_in,cp_en) + write (6,'(a,/,3(3(f12.7,x)/))') 'Fp (new)',CPFEM_Fp_new(1:3,:,grain,CPFEM_in,cp_en) + write (6,'(a,/,3(4(f9.3,x)/))') 'state (new)/ MPa',constitutive_state_new(:,grain,CPFEM_in,cp_en)/1e6_pReal + write (6,'(a,/,3(3(f9.3,x)/))') 'P / MPa',PK1/1e6_pReal + write (6,'(a,/,9(9(f9.3,x)/))') 'dP/dF / GPa',dPdF/1e9_pReal +!$OMP END CRITICAL (write2out) + 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 +!############################################################## +