325 lines
16 KiB
Fortran
325 lines
16 KiB
Fortran
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!##############################################################
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MODULE CPFEM
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!##############################################################
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! *** CPFEM engine ***
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!
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use prec, only: pReal,pInt
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implicit none
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!
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! ****************************************************************
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! *** General variables for the material behaviour calculation ***
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! ****************************************************************
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real(pReal), dimension (:,:), allocatable :: CPFEM_Temperature
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ffn_bar
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ffn1_bar
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_PK1_bar
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real(pReal), dimension (:,:,:,:,:,:),allocatable :: CPFEM_dPdF_bar
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real(pReal), dimension (:,:,:), allocatable :: CPFEM_stress_bar
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jaco_bar
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jaco_knownGood
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_results
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real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Lp
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real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_old
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real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_new
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real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, CPFEM_odd_jacobian = 1e50_pReal
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integer(pInt) :: CPFEM_Nresults = 4_pInt ! three Euler angles plus volume fraction
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logical :: CPFEM_init_done = .false. ! remember whether init has been done already
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logical :: CPFEM_calc_done = .false. ! remember whether first IP has already calced the results
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logical :: CPFEM_results_aged = .false. ! remember whether results have been aged at inc start
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!
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CONTAINS
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!
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!*********************************************************
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!*** allocate the arrays defined in module CPFEM ***
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!*** and initialize them ***
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!*********************************************************
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SUBROUTINE CPFEM_init(Temperature)
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!
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use prec
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use math, only: math_EulertoR, math_I3, math_identity2nd
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use mesh
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use constitutive
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!
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implicit none
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!
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real(pReal) Temperature
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integer(pInt) e,i,g
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!
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! *** mpie.marc parameters ***
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allocate(CPFEM_Temperature (mesh_maxNips,mesh_NcpElems)) ; CPFEM_Temperature = Temperature
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allocate(CPFEM_ffn_bar (3,3,mesh_maxNips,mesh_NcpElems))
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forall(e=1:mesh_NcpElems,i=1:mesh_maxNips) CPFEM_ffn_bar(:,:,i,e) = math_I3
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allocate(CPFEM_ffn1_bar (3,3,mesh_maxNips,mesh_NcpElems)) ; CPFEM_ffn1_bar = CPFEM_ffn_bar
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allocate(CPFEM_PK1_bar (3,3,mesh_maxNips,mesh_NcpElems)) ; CPFEM_PK1_bar = 0.0_pReal
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allocate(CPFEM_dPdF_bar(3,3,3,3,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dPdF_bar = 0.0_pReal
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allocate(CPFEM_stress_bar(6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_stress_bar = 0.0_pReal
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allocate(CPFEM_jaco_bar(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_jaco_bar = 0.0_pReal
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allocate(CPFEM_jaco_knownGood(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_jaco_knownGood = 0.0_pReal
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!
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! *** User defined results !!! MISSING incorporate consti_Nresults ***
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allocate(CPFEM_results(CPFEM_Nresults+constitutive_maxNresults,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems))
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CPFEM_results = 0.0_pReal
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!
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! *** Plastic velocity gradient ***
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allocate(CPFEM_Lp(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; CPFEM_Lp = 0.0_pReal
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! *** Plastic deformation gradient at (t=t0) and (t=t1) ***
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allocate(CPFEM_Fp_new(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; CPFEM_Fp_new = 0.0_pReal
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allocate(CPFEM_Fp_old(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems))
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forall (e=1:mesh_NcpElems,i=1:mesh_maxNips,g=1:constitutive_maxNgrains) &
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CPFEM_Fp_old(:,:,g,i,e) = math_EulerToR(constitutive_EulerAngles(:,g,i,e)) ! plastic def gradient reflects init orientation
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!
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! *** Output to MARC output file ***
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!$OMP CRITICAL (write2out)
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write(6,*)
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write(6,*) 'CPFEM Initialization'
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write(6,*)
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write(6,*) 'CPFEM_Temperature: ', shape(CPFEM_Temperature)
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write(6,*) 'CPFEM_ffn_bar: ', shape(CPFEM_ffn_bar)
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write(6,*) 'CPFEM_ffn1_bar: ', shape(CPFEM_ffn1_bar)
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write(6,*) 'CPFEM_PK1_bar: ', shape(CPFEM_PK1_bar)
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write(6,*) 'CPFEM_dPdF_bar: ', shape(CPFEM_dPdF_bar)
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write(6,*) 'CPFEM_stress_bar: ', shape(CPFEM_stress_bar)
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write(6,*) 'CPFEM_jaco_bar: ', shape(CPFEM_jaco_bar)
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write(6,*) 'CPFEM_jaco_knownGood: ', shape(CPFEM_jaco_knownGood)
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write(6,*) 'CPFEM_results: ', shape(CPFEM_results)
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write(6,*) 'CPFEM_Lp: ', shape(CPFEM_Lp)
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write(6,*) 'CPFEM_Fp_old: ', shape(CPFEM_Fp_old)
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write(6,*) 'CPFEM_Fp_new: ', shape(CPFEM_Fp_new)
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write(6,*)
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call flush(6)
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!$OMP END CRITICAL (write2out)
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return
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!
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END SUBROUTINE
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!
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!
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!***********************************************************************
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!*** perform initialization at first call, update variables and ***
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!*** call the actual material model ***
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!
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! CPFEM_mode computation mode (regular, collection, recycle)
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! ffn deformation gradient for t=t0
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! ffn1 deformation gradient for t=t1
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! Temperature temperature
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! CPFEM_dt time increment
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! CPFEM_en element number
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! CPFEM_in intergration point number
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! CPFEM_stress stress vector in Mandel notation
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! CPFEM_updateJaco flag to initiate computation of Jacobian
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! CPFEM_jaco jacobian in Mandel notation
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! CPFEM_ngens size of stress strain law
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!***********************************************************************
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SUBROUTINE CPFEM_general(CPFEM_mode, ffn, ffn1, Temperature, CPFEM_dt,&
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CPFEM_en, CPFEM_in, CPFEM_stress, CPFEM_updateJaco, CPFEM_jaco, CPFEM_ngens)
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! note: CPFEM_stress = Cauchy stress cs(6) and CPFEM_jaco = Consistent tangent dcs/de
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!
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use prec, only: pReal,pInt
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use FEsolving
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use debug
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use math
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use mesh, only: mesh_init,mesh_FEasCP, mesh_NcpElems, FE_Nips, FE_mapElemtype, mesh_element
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use lattice, only: lattice_init
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use constitutive, only: constitutive_init,constitutive_state_old,constitutive_state_new,material_Cslip_66
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implicit none
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!
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integer(pInt) CPFEM_en, CPFEM_in, cp_en, CPFEM_ngens, i,j,k,l,m,n, e
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real(pReal), dimension (3,3) :: ffn,ffn1,Kirchhoff_bar
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real(pReal), dimension (3,3,3,3) :: H_bar
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real(pReal), dimension(CPFEM_ngens) :: CPFEM_stress
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real(pReal), dimension(CPFEM_ngens,CPFEM_ngens) :: CPFEM_jaco, odd_jaco
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real(pReal) Temperature,CPFEM_dt,J_inverse
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integer(pInt) CPFEM_mode ! 1: regular computation with aged results&
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! 2: regular computation&
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! 3: collection of FEM data&
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! 4: recycling of former results (MARC speciality)&
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! 5: record tangent from former converged inc&
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! 6: restore tangent from former converged inc
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logical CPFEM_updateJaco
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!
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if (.not. CPFEM_init_done) then ! initialization step (three dimensional stress state check missing?)
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call math_init()
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call mesh_init()
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call lattice_init()
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call constitutive_init()
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call CPFEM_init(Temperature)
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CPFEM_init_done = .true.
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endif
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!
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cp_en = mesh_FEasCP('elem',CPFEM_en)
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if (cp_en == 1 .and. CPFEM_in == 1) &
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write(6,'(a10,1x,f8.4,1x,a10,1x,i4,1x,a10,1x,i3,1x,a10,1x,i2,x,a10,1x,i2)') &
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'theTime',theTime,'theInc',theInc,'theCycle',theCycle,'theLovl',theLovl,&
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'mode',CPFEM_mode
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if (CPFEM_mode /= 1) CPFEM_results_aged = .false.
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select case (CPFEM_mode)
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case (2,1) ! *** regular computation (with aging of results) ***
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if (CPFEM_mode == 1 .and. &
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.not. CPFEM_results_aged) then ! age results at start of new increment
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CPFEM_Fp_old = CPFEM_Fp_new
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constitutive_state_old = constitutive_state_new
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CPFEM_results_aged = .true. ! aging is done
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write (6,*) ')))))))))))))) results aged (((((((((((((((',cp_en,CPFEM_in
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endif
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CPFEM_Temperature(CPFEM_in,cp_en) = Temperature ! store temperature
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CPFEM_ffn_bar(:,:,CPFEM_in,cp_en) = ffn ! store def grad for start of inc
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CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en) = ffn1 ! store def grad for end of inc
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debugger = (cp_en == 1160 .and. CPFEM_in == 6) ! switch on debugging
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call CPFEM_MaterialPoint(CPFEM_updateJaco, CPFEM_dt, CPFEM_in, cp_en) ! call for result at this IP
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! translate from P and dP/dF to CS and dCS/dE
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Kirchhoff_bar = math_mul33x33(CPFEM_PK1_bar(:,:,CPFEM_in, cp_en),transpose(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en)))
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J_inverse = 1.0_pReal/math_det3x3(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en))
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CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en) = math_Mandel33to6(J_inverse*Kirchhoff_bar)
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H_bar = 0.0_pReal
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forall(i=1:3,j=1:3,k=1:3,l=1:3,m=1:3,n=1:3) &
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H_bar(i,j,k,l) = H_bar(i,j,k,l) + &
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CPFEM_ffn1_bar(j,m,CPFEM_in,cp_en) * &
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CPFEM_ffn1_bar(l,n,CPFEM_in,cp_en) * &
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CPFEM_dPdF_bar(i,m,k,n,CPFEM_in,cp_en) - &
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math_I3(j,l)*CPFEM_ffn1_bar(i,m,CPFEM_in,cp_en)*CPFEM_PK1_bar(k,m,CPFEM_in,cp_en) + &
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0.5_pReal*(math_I3(i,k)*Kirchhoff_bar(j,l) + math_I3(j,l)*Kirchhoff_bar(i,k) + &
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math_I3(i,l)*Kirchhoff_bar(j,k) + math_I3(j,k)*Kirchhoff_bar(i,l))
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CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en) = math_Mandel3333to66(J_inverse*H_bar)
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case (3) ! *** collect and return odd result ***
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CPFEM_Temperature(CPFEM_in,cp_en) = Temperature
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CPFEM_ffn_bar(:,:,CPFEM_in,cp_en) = ffn
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CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en) = ffn1
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CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en) = CPFEM_odd_stress
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CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en) = CPFEM_odd_jacobian*math_identity2nd(CPFEM_ngens)
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CPFEM_calc_done = .false.
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case (4) ! *** do nothing since we can recycle the former results (MARC specialty) ***
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case (5) ! *** record consistent tangent at beginning of new increment ***
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CPFEM_jaco_knownGood = CPFEM_jaco_bar
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case (6) ! *** restore consistent tangent after cutback ***
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CPFEM_jaco_bar = CPFEM_jaco_knownGood
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end select
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!
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! return the local stress and the jacobian from storage
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CPFEM_stress(1:CPFEM_ngens) = CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en)
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CPFEM_jaco(1:CPFEM_ngens,1:CPFEM_ngens) = CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en)
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if (debugger) write (6,'(a,/,6(6(f9.3,x)/))') 'stiffness / GPa',CPFEM_jaco(1:CPFEM_ngens,:)/1e9_pReal
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!
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return
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!
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END SUBROUTINE
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!
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!
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!**********************************************************
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!*** calculate the material point behaviour ***
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!**********************************************************
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SUBROUTINE CPFEM_MaterialPoint(&
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updateJaco,& ! flag to initiate Jacobian updating
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CPFEM_dt,& ! Time increment (dt)
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CPFEM_in,& ! Integration point number
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cp_en) ! Element number
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!
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use prec
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use FEsolving, only: theCycle
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use debug
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use math, only: math_pDecomposition,math_RtoEuler,inDeg,math_I3,math_invert3x3,math_permut,math_invert,math_delta
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use IO, only: IO_error
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use mesh, only: mesh_element
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use crystallite
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use constitutive
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implicit none
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!
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character(len=128) msg
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integer(pInt) cp_en,CPFEM_in,grain
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logical updateJaco,error
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real(pReal) CPFEM_dt,volfrac
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real(pReal), dimension(3,3) :: U,R,Fe1
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real(pReal), dimension(3,3) :: PK1
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real(pReal), dimension(3,3,3,3) :: dPdF,dPdF_bar_old
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!
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CPFEM_PK1_bar(:,:,CPFEM_in,cp_en) = 0.0_pReal ! zero out average first PK stress
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if (updateJaco) then
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dPdF_bar_old = CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) ! remember former average consistent tangent
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CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) = 0.0_pReal ! zero out avg consistent tangent for later assembly
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endif
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do grain = 1,texture_Ngrains(mesh_element(4,cp_en))
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dPdF = dPdF_bar_old ! preguess consistent tangent of grain with avg
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,*) 'single crystallite integrating.',cp_en,CPFEM_in,grain
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write (6,'(a,/,3(3(f12.7,x)/))') 'Fg',CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en)
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write (6,'(a,/,3(3(f12.7,x)/))') 'Lp (guess)',CPFEM_Lp(1:3,:,grain,CPFEM_in,cp_en)
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write (6,'(a,/,3(3(f12.7,x)/))') 'Fp (old)',CPFEM_Fp_old(1:3,:,grain,CPFEM_in,cp_en)
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write (6,'(a,/,3(4(f9.3,x)/))') 'state (old) / MPa',constitutive_state_old(:,grain,CPFEM_in,cp_en)/1e6_pReal
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write (6,'(a,/,3(4(f9.3,x)/))') 'state (new) / MPa',constitutive_state_new(:,grain,CPFEM_in,cp_en)/1e6_pReal
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write (6,*)
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!$OMP END CRITICAL (write2out)
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endif
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call SingleCrystallite(msg,PK1,dPdF,&
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CPFEM_results(5:4+constitutive_Nresults(grain,CPFEM_in,cp_en),grain,CPFEM_in,cp_en),&
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CPFEM_Lp(:,:,grain,CPFEM_in,cp_en),&
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CPFEM_Fp_new(:,:,grain,CPFEM_in,cp_en),Fe1,constitutive_state_new(:,grain,CPFEM_in,cp_en),& ! output up to here
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CPFEM_dt,cp_en,CPFEM_in,grain,updateJaco,&
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CPFEM_Temperature(CPFEM_in,cp_en),&
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CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en),CPFEM_ffn_bar(:,:,CPFEM_in,cp_en),&
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CPFEM_Fp_old(:,:,grain,CPFEM_in,cp_en),constitutive_state_old(:,grain,CPFEM_in,cp_en))
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if (msg /= 'ok') then ! solution not reached --> exit
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!$OMP CRITICAL (write2out)
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write(6,*) 'grain loop failed to converge @ EL:',cp_en,' IP:',CPFEM_in
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!$OMP END CRITICAL (write2out)
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call IO_error(600)
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return
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endif
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,*) msg
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write (6,*) 'single crystallite convergence reached.',cp_en,CPFEM_in,grain
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write (6,'(a,/,3(3(f12.7,x)/))') 'Lp',CPFEM_Lp(1:3,:,grain,CPFEM_in,cp_en)
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write (6,'(a,/,3(3(f12.7,x)/))') 'Fp (new)',CPFEM_Fp_new(1:3,:,grain,CPFEM_in,cp_en)
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write (6,'(a,/,3(4(f9.3,x)/))') 'state (new)/ MPa',constitutive_state_new(:,grain,CPFEM_in,cp_en)/1e6_pReal
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write (6,'(a,/,3(3(f9.3,x)/))') 'P / MPa',PK1/1e6_pReal
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|
write (6,'(a,/,9(9(f9.3,x)/))') 'dP/dF / GPa',dPdF/1e9_pReal
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||
|
!$OMP END CRITICAL (write2out)
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||
|
endif
|
||
|
|
||
|
volfrac = constitutive_matVolFrac(grain,CPFEM_in,cp_en)*constitutive_texVolFrac(grain,CPFEM_in,cp_en)
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||
|
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
|
||
|
!##############################################################
|
||
|
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