List of changes/modifications:
* IO.f90 :: Adding error messages for RGC homogenization * crystallite.f90 :: Modifying convergent criteria in crystalline_updateState and crystalline_updateTemperature * material.f90 :: Adding IO_lc in homogenization_type(Name) * debug.f90 :: Adding debbugging statement and counter for material point loop * homogenization.f90 :: Adding homogenization_RGC blocks * homogenization_isostrain.f90 :: Modifying argument of homogenization_isostrain_stateInit * mpie_cpfem_marc.f90 :: Adding homogenization_RGC include * numerics.f90 :: Adding numerical parameters for RGC scheme * math.f90 :: Changing function name: math_permut to math_civita
This commit is contained in:
Denny Tjahjanto
parent
f0729a2e52
commit
360fb069ba
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@ -1,893 +0,0 @@
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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_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 if init has been done already
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logical :: CPFEM_calc_done = .false. ! remember if first IP has already calced the results
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!
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real(pReal), dimension (:,:,:,:), allocatable :: GIA_rVect_new ! boundary relaxation vectors
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real(pReal), dimension (:,:,:,:), allocatable :: GIA_rVect_old ! boundary relaxation vectors
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real(pReal), dimension (:,:), allocatable :: GIA_bNorm ! grain boundary normals
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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,b
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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 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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allocate(GIA_rVect_new(3,12,mesh_maxNips,mesh_NcpElems)) ; GIA_rVect_new = 0.0_pReal
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allocate(GIA_rVect_old(3,12,mesh_maxNips,mesh_NcpElems)) ; GIA_rVect_old = 0.0_pReal
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allocate(GIA_bNorm(3,12)) ; GIA_bNorm = 0.0_pReal
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do b = 1,4
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GIA_bNorm(1,b) = 1.0_pReal
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GIA_bNorm(2,b+4) = 1.0_pReal
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GIA_bNorm(3,b+8) = 1.0_pReal
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enddo
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!
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! *** Output to MARC output file ***
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!$OMP CRITICAL (write2out)
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write(6,*)
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write(6,*) 'CPFEM Initialization'
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write(6,*)
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write(6,*) 'CPFEM_Temperature: ', shape(CPFEM_Temperature)
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write(6,*) 'CPFEM_ffn_bar: ', shape(CPFEM_ffn_bar)
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write(6,*) 'CPFEM_ffn1_bar: ', shape(CPFEM_ffn1_bar)
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write(6,*) 'CPFEM_PK1_bar: ', shape(CPFEM_PK1_bar)
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write(6,*) 'CPFEM_dPdF_bar: ', shape(CPFEM_dPdF_bar)
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write(6,*) 'CPFEM_stress_bar: ', shape(CPFEM_stress_bar)
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write(6,*) 'CPFEM_jaco_bar: ', shape(CPFEM_jaco_bar)
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write(6,*) 'CPFEM_jaco_knownGood: ', shape(CPFEM_jaco_knownGood)
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write(6,*) 'CPFEM_results: ', shape(CPFEM_results)
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write(6,*) 'CPFEM_Fp_old: ', shape(CPFEM_Fp_old)
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write(6,*) 'CPFEM_Fp_new: ', shape(CPFEM_Fp_new)
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!
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write(6,*) 'GIA_rVect_new: ', shape(GIA_rVect_new)
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write(6,*) 'GIA_rVect_old: ', shape(GIA_rVect_old)
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write(6,*) 'GIA_bNorm: ', shape(GIA_bNorm)
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write(6,*)
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call flush(6)
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!$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, H_bar_sym
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real(pReal), dimension(CPFEM_ngens) :: CPFEM_stress
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real(pReal), dimension(CPFEM_ngens,CPFEM_ngens) :: CPFEM_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) then
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!$OMP CRITICAL (write2out)
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write(6,'(a6,x,i4,x,a4,x,i4,x,a10,x,f8.4,x,a10,x,i2,x,a10,x,i2,x,a10,x,i2,x,a10,x,i2)') &
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'elem',cp_en,'IP',CPFEM_in,&
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'theTime',theTime,'theInc',theInc,'theCycle',theCycle,'theLovl',theLovl,&
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'mode',CPFEM_mode
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!$OMP END CRITICAL (write2out)
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endif
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!
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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 (.not. CPFEM_calc_done) then ! puuh, me needs doing all the work...
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!$OMP CRITICAL (write2out)
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write (6,*) 'puuh me needs doing all the work', cp_en
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!$OMP END CRITICAL (write2out)
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if (CPFEM_mode == 1) 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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GIA_rVect_old = GIA_rVect_new
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!$OMP CRITICAL (write2out)
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write (6,*) '#### aged results'
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!$OMP END CRITICAL (write2out)
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endif
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debug_cutbackDistribution = 0_pInt ! initialize debugging data
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debug_InnerLoopDistribution = 0_pInt
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debug_OuterLoopDistribution = 0_pInt
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!
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do e=1,mesh_NcpElems ! ## this shall be done in a parallel loop in the future ##
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do i=1,FE_Nips(mesh_element(2,e)) ! iterate over all IPs of this element's type
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debugger = (e==1 .and. i==1) ! switch on debugging for first IP in first element
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call CPFEM_MaterialPoint(CPFEM_updateJaco, CPFEM_dt, i, e)
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enddo
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enddo
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call debug_info() ! output of debugging/performance statistics
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CPFEM_calc_done = .true. ! now calc is done
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endif
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! translate from P and dP/dF to CS and dCS/dE
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!!$OMP CRITICAL (evilmatmul)
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Kirchhoff_bar = math_mul33x33(CPFEM_PK1_bar(:,:,CPFEM_in, cp_en),transpose(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en)))
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!!$OMP END CRITICAL (evilmatmul)
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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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!
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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)*CPFEM_ffn1_bar(l,n,CPFEM_in,cp_en)*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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forall(i=1:3,j=1:3,k=1:3,l=1:3) &
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H_bar_sym(i,j,k,l)= 0.25_pReal*(H_bar(i,j,k,l) +H_bar(j,i,k,l) +H_bar(i,j,l,k) +H_bar(j,i,l,k))
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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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!
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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 (cp_en == 1 .and. CPFEM_in == 1) write (6,*) 'stress',CPFEM_stress
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! if (cp_en == 1 .and. CPFEM_in == 1 .and. CPFEM_updateJaco) write (6,*) 'stiffness',CPFEM_jaco
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! if (cp_en == 1 .and. CPFEM_in == 1) write (6,*) 'vector',GIA_rVect_new(:,:,1,1)
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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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!*** 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,max_cutbacks,i,j,k,l,m,n,iBoun,NRiter,dummy,ii,jj,kk,ll,ip,jp
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logical updateJaco,error,NRconvergent,failed
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|
||||||
real(pReal) CPFEM_dt,volfrac,dTime,shMod,C_kb,resNorm,resMax,subStep,subFrac,temp1,temp2
|
|
||||||
real(pReal), dimension(3,3) :: F0_bar,F1_bar,dF_bar,PK1_per,F1_per
|
|
||||||
real(pReal), dimension(3,3) :: U,R
|
|
||||||
real(pReal), dimension(3,3,8) :: PK1,Fp0,Fp1,Fe1,F1,F0
|
|
||||||
real(pReal), dimension(3,3,12) :: GPK1,GF1,Nye,GRB1
|
|
||||||
real(pReal), dimension(3,3,3,3,8) :: dPdF
|
|
||||||
real(pReal), dimension(3,3,3,3,12) :: dRdX1
|
|
||||||
real(pReal), dimension(36) :: var,res
|
|
||||||
real(pReal), dimension(36,36) :: dresdvar,dvardres
|
|
||||||
real(pReal), dimension(3,12) :: rx,rVect
|
|
||||||
real(pReal), dimension(12) :: NyeNorm
|
|
||||||
real(pReal), dimension(constitutive_maxNstatevars,8) :: state0,state1
|
|
||||||
!
|
|
||||||
if (texture_Ngrains(mesh_element(4,cp_en)) /= 8_pInt) then
|
|
||||||
call IO_error(800)
|
|
||||||
return
|
|
||||||
endif
|
|
||||||
!
|
|
||||||
CPFEM_PK1_bar(:,:,CPFEM_in,cp_en) = 0.0_pReal ! zero out average first PK stress
|
|
||||||
if (updateJaco) CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) = 0.0_pReal ! zero out average consistent tangent
|
|
||||||
!
|
|
||||||
! ------------- GIA loop --------------------
|
|
||||||
!
|
|
||||||
! collect information
|
|
||||||
shMod = 0.2_pReal*(material_C11(1) - material_C12(1)) + 0.3_pReal*material_C44(1) ! equivalent shear modulus
|
|
||||||
C_kb = material_bg(1)*shMod/material_GrainSize(1) ! equivalent boundary stiffness
|
|
||||||
!
|
|
||||||
F0_bar = CPFEM_ffn_bar(:,:,CPFEM_in,cp_en) ! effective deformation gradient at t_n
|
|
||||||
state0 = constitutive_state_old(:,:,CPFEM_in,cp_en) ! state variables at t_n
|
|
||||||
Fp0 = CPFEM_Fp_old(:,:,:,CPFEM_in,cp_en) ! grain plastic def. gradient at t_n
|
|
||||||
rVect = GIA_rVect_old(:,:,CPFEM_in,cp_en) ! relaxation vectors from previous convergent step
|
|
||||||
!
|
|
||||||
dF_bar = CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en) - CPFEM_ffn_bar(:,:,CPFEM_in,cp_en) ! deformation gradient increment
|
|
||||||
subFrac = 0.0_pReal
|
|
||||||
subStep = 1.0_pReal
|
|
||||||
!
|
|
||||||
! Substepping procedure to improve N-R iteration
|
|
||||||
SubStepping: do
|
|
||||||
dTime = subStep*CPFEM_dt
|
|
||||||
call GIA_RelaxedDeformation(F0,F0_bar,rVect) ! def. gradient of indiv. grains at t_n
|
|
||||||
F1_bar = F0_bar + subStep*dF_bar ! effective def. gradient at t_n+1
|
|
||||||
forall (iBoun=1:12,i=1:3) var(3_pInt*(iBoun-1_pInt)+i) = rVect(i,iBoun) ! primary variable: relaxation vector
|
|
||||||
!
|
|
||||||
! Newton-Raphson iteration block
|
|
||||||
NRiter = 1_pInt
|
|
||||||
NRIteration: do
|
|
||||||
forall (iBoun=1:12,i=1:3) rx(i,iBoun) = var(3_pInt*(iBoun-1_pInt)+i) ! relaxation vectors (guess)
|
|
||||||
!
|
|
||||||
! deformation gradients of grains at t_n+1 (guess)
|
|
||||||
call GIA_RelaxedDeformation(F1,F1_bar,rx)
|
|
||||||
!
|
|
||||||
! -------------- grain loop -----------------
|
|
||||||
do grain = 1,texture_Ngrains(mesh_element(4,cp_en))
|
|
||||||
call SingleCrystallite(msg,PK1(:,:,grain),dPdF(:,:,:,:,grain),&
|
|
||||||
CPFEM_results(CPFEM_Nresults+1:CPFEM_Nresults+constitutive_Nresults(grain,CPFEM_in,cp_en),&
|
|
||||||
grain,CPFEM_in,cp_en),&
|
|
||||||
Fp1(:,:,grain),Fe1(:,:,grain),state1(:,grain),& ! output up to here
|
|
||||||
dTime,cp_en,CPFEM_in,grain,.true.,&
|
|
||||||
CPFEM_Temperature(CPFEM_in,cp_en),F1(:,:,grain),F0(:,:,grain),Fp0(:,:,grain),state0(:,grain))
|
|
||||||
if (msg /= 'ok') then ! solution not reached --> exit NRIteration
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,*) 'GIA: grain loop failed to converge @ EL:',cp_en,' IP:',CPFEM_in
|
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
NRconvergent = .false.
|
|
||||||
exit NRiteration
|
|
||||||
endif
|
|
||||||
enddo ! grain loop
|
|
||||||
!
|
|
||||||
! calculate the deformation jump and stress jump across the boundaries
|
|
||||||
call GIA_BoundaryJump(GF1,F1)
|
|
||||||
call GIA_BoundaryJump(GPK1,PK1)
|
|
||||||
!
|
|
||||||
! compute the Nye tensor at the boundary
|
|
||||||
Nye = 0.0_pReal
|
|
||||||
NyeNorm = 0.0_pReal
|
|
||||||
do iBoun = 1,12
|
|
||||||
do i = 1,3
|
|
||||||
do j = 1,3
|
|
||||||
do k = 1,3
|
|
||||||
do l = 1,3
|
|
||||||
Nye(i,j,iBoun) = Nye(i,j,iBoun) - 0.5_pReal*math_permut(j,k,l)*GIA_bNorm(k,iBoun)*GF1(i,l,iBoun)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
NyeNorm(iBoun) = NyeNorm(iBoun) + Nye(i,j,iBoun)*Nye(i,j,iBoun)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
NyeNorm(iBoun) = sqrt(NyeNorm(iBoun))
|
|
||||||
if (NyeNorm(iBoun) > 1.0e-8_pReal) Nye(:,:,iBoun) = Nye(:,:,iBoun)/NyeNorm(iBoun)
|
|
||||||
enddo
|
|
||||||
!
|
|
||||||
! compute the stress-like penalty at the boundary
|
|
||||||
GRB1 = 0.0_pReal
|
|
||||||
do iBoun = 1,12
|
|
||||||
do i = 1,3
|
|
||||||
do j = 1,3
|
|
||||||
do k = 1,3
|
|
||||||
do l = 1,3
|
|
||||||
GRB1(i,j,iBoun) = GRB1(i,j,iBoun) + Nye(i,k,iBoun)*GIA_bNorm(l,iBoun)*math_permut(k,l,j)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
GRB1(:,:,iBoun) = 0.5_pReal*(C_kb + C_kb)*GRB1(:,:,iBoun)
|
|
||||||
enddo
|
|
||||||
!
|
|
||||||
! compute the resiudal of stress at the boundary
|
|
||||||
res = 0.0_pReal
|
|
||||||
resNorm = 0.0_pReal
|
|
||||||
do iBoun = 1,12
|
|
||||||
do j = 1,3
|
|
||||||
do i = 1,3
|
|
||||||
res(3_pInt*(iBoun-1_pInt)+j) = res(3_pInt*(iBoun-1_pInt)+j) - &
|
|
||||||
GIA_bNorm(i,iBoun)*(GPK1(i,j,iBoun) - GRB1(i,j,iBoun))
|
|
||||||
enddo
|
|
||||||
resNorm = resNorm + res(3_pInt*(iBoun-1_pInt)+j)*res(3_pInt*(iBoun-1_pInt)+j)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
resNorm = sqrt(resNorm)
|
|
||||||
!
|
|
||||||
if (debugger) then
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(x,a,i3,a,i3,a,i3,a,e10.4)')'EL:',cp_en,' IP:',CPFEM_in,' Iter:',NRiter,' RNorm:',resNorm
|
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
if (NRiter == 1_pInt) resMax = resNorm
|
|
||||||
if ((resNorm < resToler*resMax) .or. (resNorm < resAbsol)) then ! resNorm < tolerance ===> convergent
|
|
||||||
NRconvergent = .true.
|
|
||||||
exit NRiteration
|
|
||||||
elseif ((NRiter > NRiterMax) .or. (resNorm > resBound*resMax)) then ! resNorm > up. bound ===> substepping
|
|
||||||
NRconvergent = .false.
|
|
||||||
exit NRiteration
|
|
||||||
else ! update the residual
|
|
||||||
dRdX1 = 0.0_pReal
|
|
||||||
do iBoun = 1,12
|
|
||||||
if (NyeNorm(iBoun) < 1.0e-8_pReal) NyeNorm(iBoun) = 1.0e-8_pReal
|
|
||||||
do i = 1,3
|
|
||||||
do j = 1,3
|
|
||||||
do k = 1,3
|
|
||||||
do l = 1,3
|
|
||||||
temp1 = 0.0_pReal
|
|
||||||
temp2 = 0.0_pReal
|
|
||||||
do ii = 1,3
|
|
||||||
do jj = 1,3
|
|
||||||
do kk = 1,3
|
|
||||||
temp1 = temp1 + GIA_bNorm(jj,iBoun)*math_permut(ii,jj,j)*math_delta(i,k)* &
|
|
||||||
GIA_bNorm(kk,iBoun)*math_permut(ii,kk,l)
|
|
||||||
do ll = 1,3
|
|
||||||
temp2 = temp2 + Nye(i,ii,iBoun)*GIA_bNorm(jj,iBoun)*math_permut(ii,jj,j)* &
|
|
||||||
Nye(k,kk,iBoun)*GIA_bNorm(ll,iBoun)*math_permut(kk,ll,l)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
dRdX1(i,j,k,l,iBoun) = 0.25_pReal*(C_kb + C_kb)*(temp1 - temp2)/NyeNorm(iBoun)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
call GIA_JacobianMatrix(dresdvar,dPdF,dRdX1)
|
|
||||||
dvardres = 0.0_pReal
|
|
||||||
call math_invert(36,dresdvar,dvardres,dummy,failed)
|
|
||||||
if (failed) then
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,*) 'GIA: failed to invert the Jacobian @ EL:',cp_en,' IP:',CPFEM_in
|
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
NRconvergent = .false.
|
|
||||||
exit NRiteration
|
|
||||||
endif
|
|
||||||
forall (i=1:36,j=1:36) var(i) = var(i) - dvardres(i,j)*res(j)
|
|
||||||
endif
|
|
||||||
!
|
|
||||||
NRiter = NRiter + 1_pInt
|
|
||||||
enddo NRIteration ! End of N-R iteration blok
|
|
||||||
!
|
|
||||||
if (.not. NRconvergent) then
|
|
||||||
subStep = 0.5_pReal*subStep
|
|
||||||
else
|
|
||||||
subFrac = subFrac + subStep
|
|
||||||
subStep = 1.0_pReal - subFrac
|
|
||||||
Fp0 = Fp1
|
|
||||||
F0_bar = F1_bar
|
|
||||||
state0 = state1
|
|
||||||
rVect = rx
|
|
||||||
endif
|
|
||||||
!
|
|
||||||
if (subStep < subStepMin) exit SubStepping
|
|
||||||
enddo SubStepping ! End of substepping blok
|
|
||||||
!
|
|
||||||
! ------------- GIA loop (end) --------------
|
|
||||||
!
|
|
||||||
! return to the general subroutine when convergence is not reached
|
|
||||||
if (.not. NRconvergent) then
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(x,a)') 'GIA: convergence is not reached @ EL:',cp_en,' IP:',CPFEM_in
|
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
call IO_error(600)
|
|
||||||
return
|
|
||||||
endif
|
|
||||||
!
|
|
||||||
! updates all variables, deformation gradients, and vectors
|
|
||||||
GIA_rVect_new(:,:,CPFEM_in,cp_en) = rVect
|
|
||||||
CPFEM_Fp_new(:,:,:,CPFEM_in,cp_en) = Fp1
|
|
||||||
constitutive_state_new(:,:,CPFEM_in,cp_en) = state1
|
|
||||||
!
|
|
||||||
! compute the effective stress and consistent tangent
|
|
||||||
do grain = 1,texture_Ngrains(mesh_element(4,cp_en))
|
|
||||||
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(:,:,grain) ! average Cauchy stress
|
|
||||||
!
|
|
||||||
! update results plotted in MENTAT
|
|
||||||
call math_pDecomposition(Fe1(:,:,grain),U,R,error) ! polar decomposition
|
|
||||||
if (error) then
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,*) Fe1(:,:,grain)
|
|
||||||
write(6,*) 'polar decomposition'
|
|
||||||
write(6,*) 'Grain: ',grain
|
|
||||||
write(6,*) 'Integration point: ',CPFEM_in
|
|
||||||
write(6,*) 'Element: ',mesh_element(1,cp_en)
|
|
||||||
!$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
|
|
||||||
!
|
|
||||||
if (theCycle >= 0_pInt) then
|
|
||||||
forall (grain=1:texture_Ngrains(mesh_element(4,cp_en))) &
|
|
||||||
CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) = CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) + volfrac*dPdF(:,:,:,:,grain)
|
|
||||||
else
|
|
||||||
do ip = 1,3
|
|
||||||
do jp = 1,3
|
|
||||||
F1_per = F1_bar
|
|
||||||
F1_per(ip,jp) = F1_per(ip,jp) + 1.0e-5_pReal
|
|
||||||
forall (iBoun=1:12,i=1:3) var(3_pInt*(iBoun-1_pInt)+i) = rVect(i,iBoun)
|
|
||||||
NRiter = 1_pInt
|
|
||||||
!
|
|
||||||
NRPerturbation: do
|
|
||||||
forall (iBoun=1:12,i=1:3) rx(i,iBoun) = var(3_pInt*(iBoun-1_pInt)+i) ! relaxation vectors (guess)
|
|
||||||
call GIA_RelaxedDeformation(F1,F1_bar,rx)
|
|
||||||
do grain = 1,8
|
|
||||||
call SingleCrystallite(msg,PK1(:,:,grain),dPdF(:,:,:,:,grain),&
|
|
||||||
CPFEM_results(CPFEM_Nresults+1:CPFEM_Nresults+constitutive_Nresults(grain,CPFEM_in,cp_en),&
|
|
||||||
grain,CPFEM_in,cp_en),&
|
|
||||||
Fp1(:,:,grain),Fe1(:,:,grain),state1(:,grain),& ! output up to here
|
|
||||||
dTime,cp_en,CPFEM_in,grain,.true.,&
|
|
||||||
CPFEM_Temperature(CPFEM_in,cp_en),F1(:,:,grain),F0(:,:,grain),Fp0(:,:,grain),state0(:,grain))
|
|
||||||
if (msg /= 'ok') then ! solution not reached --> exit NRIteration
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,*) 'GIA: perturbation grain loop failed to converge within allowable step-size'
|
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
NRconvergent = .false.
|
|
||||||
exit NRPerturbation
|
|
||||||
endif
|
|
||||||
enddo
|
|
||||||
call GIA_BoundaryJump(GF1,F1)
|
|
||||||
call GIA_BoundaryJump(GPK1,PK1)
|
|
||||||
!
|
|
||||||
Nye = 0.0_pReal
|
|
||||||
NyeNorm = 0.0_pReal
|
|
||||||
do iBoun = 1,12
|
|
||||||
do i = 1,3
|
|
||||||
do j = 1,3
|
|
||||||
do k = 1,3
|
|
||||||
do l = 1,3
|
|
||||||
Nye(i,j,iBoun) = Nye(i,j,iBoun) - 0.5_pReal*math_permut(j,k,l)*GIA_bNorm(k,iBoun)*GF1(i,l,iBoun)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
NyeNorm(iBoun) = NyeNorm(iBoun) + Nye(i,j,iBoun)*Nye(i,j,iBoun)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
NyeNorm(iBoun) = sqrt(NyeNorm(iBoun))
|
|
||||||
if (NyeNorm(iBoun) > 1.0e-8_pReal) Nye(:,:,iBoun) = Nye(:,:,iBoun)/NyeNorm(iBoun)
|
|
||||||
enddo
|
|
||||||
!
|
|
||||||
GRB1 = 0.0_pReal
|
|
||||||
do iBoun = 1,12
|
|
||||||
do i = 1,3
|
|
||||||
do j = 1,3
|
|
||||||
do k = 1,3
|
|
||||||
do l = 1,3
|
|
||||||
GRB1(i,j,iBoun) = GRB1(i,j,iBoun) + Nye(i,k,iBoun)*GIA_bNorm(l,iBoun)*math_permut(k,l,j)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
GRB1(:,:,iBoun) = 0.5_pReal*(C_kb + C_kb)*GRB1(:,:,iBoun)
|
|
||||||
enddo
|
|
||||||
!
|
|
||||||
res = 0.0_pReal
|
|
||||||
resNorm = 0.0_pReal
|
|
||||||
do iBoun = 1,12
|
|
||||||
do j = 1,3
|
|
||||||
do i = 1,3
|
|
||||||
res(3_pInt*(iBoun-1_pInt)+j) = res(3_pInt*(iBoun-1_pInt)+j) - &
|
|
||||||
GIA_bNorm(i,iBoun)*(GPK1(i,j,iBoun) - GRB1(i,j,iBoun))
|
|
||||||
enddo
|
|
||||||
resNorm = resNorm + res(3_pInt*(iBoun-1_pInt)+j)*res(3_pInt*(iBoun-1_pInt)+j)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
resNorm = sqrt(resNorm)
|
|
||||||
!
|
|
||||||
! if (debugger) then
|
|
||||||
!!$OMP CRITICAL (write2out)
|
|
||||||
! write(6,'(x,a,i3,a,i3,a,i3,a,i3,a,e10.4)')'EL = ',cp_en,':IP = ',CPFEM_in,':pert = ',3*(ip-1)+jp,':Iter = ',NRiter,':RNorm = ',resNorm
|
|
||||||
!!$OMP END CRITICAL (write2out)
|
|
||||||
! endif
|
|
||||||
if (NRiter == 1_pInt) resMax = resNorm
|
|
||||||
if ((resNorm < resToler*resMax) .or. (resNorm < resAbsol)) then ! resNorm < tolerance ===> convergent
|
|
||||||
NRconvergent = .true.
|
|
||||||
exit NRPerturbation
|
|
||||||
elseif ((NRiter > NRiterMax) .or. (resNorm > resBound*resMax)) then ! resNorm > up. bound ===> substepping
|
|
||||||
NRconvergent = .false.
|
|
||||||
exit NRPerturbation
|
|
||||||
else ! update the residual
|
|
||||||
dRdX1 = 0.0_pReal
|
|
||||||
do iBoun = 1,12
|
|
||||||
if (NyeNorm(iBoun) < 1.0e-8_pReal) NyeNorm(iBoun) = 1.0e-8_pReal
|
|
||||||
do i = 1,3
|
|
||||||
do j = 1,3
|
|
||||||
do k = 1,3
|
|
||||||
do l = 1,3
|
|
||||||
temp1 = 0.0_pReal
|
|
||||||
temp2 = 0.0_pReal
|
|
||||||
do ii = 1,3
|
|
||||||
do jj = 1,3
|
|
||||||
do kk = 1,3
|
|
||||||
temp1 = temp1 + GIA_bNorm(jj,iBoun)*math_permut(ii,jj,j)*math_delta(i,k)* &
|
|
||||||
GIA_bNorm(kk,iBoun)*math_permut(ii,kk,l)
|
|
||||||
do ll = 1,3
|
|
||||||
temp2 = temp2 + Nye(i,ii,iBoun)*GIA_bNorm(jj,iBoun)*math_permut(ii,jj,j)* &
|
|
||||||
Nye(k,kk,iBoun)*GIA_bNorm(ll,iBoun)*math_permut(kk,ll,l)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
dRdX1(i,j,k,l,iBoun) = 0.25_pReal*(C_kb + C_kb)*(temp1 - temp2)/NyeNorm(iBoun)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
call GIA_JacobianMatrix(dresdvar,dPdF,dRdX1)
|
|
||||||
dvardres = 0.0_pReal
|
|
||||||
call math_invert(36,dresdvar,dvardres,dummy,failed)
|
|
||||||
if (failed) then
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,*) 'GIA: perturbation failed to invert the Jacobian'
|
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
NRconvergent = .false.
|
|
||||||
exit NRPerturbation
|
|
||||||
endif
|
|
||||||
forall (i=1:36,j=1:36) var(i) = var(i) - dvardres(i,j)*res(j)
|
|
||||||
endif
|
|
||||||
NRiter = NRiter + 1_pInt
|
|
||||||
enddo NRPerturbation ! End of N-R iteration blok
|
|
||||||
!
|
|
||||||
PK1_per = 0.0_pReal
|
|
||||||
do grain = 1,texture_Ngrains(mesh_element(4,cp_en))
|
|
||||||
volfrac = constitutive_matVolFrac(grain,CPFEM_in,cp_en)*constitutive_texVolFrac(grain,CPFEM_in,cp_en)
|
|
||||||
PK1_per = PK1_per + volfrac*PK1(:,:,grain)
|
|
||||||
enddo
|
|
||||||
CPFEM_dPdF_bar(:,:,ip,jp,CPFEM_in,cp_en) = (PK1_per - CPFEM_PK1_bar(:,:,CPFEM_in,cp_en))/1.0e-5_pReal
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
endif
|
|
||||||
!
|
|
||||||
return
|
|
||||||
!
|
|
||||||
END SUBROUTINE
|
|
||||||
!
|
|
||||||
!
|
|
||||||
!********************************************************************
|
|
||||||
! Calculates the relaxed deformation gradients of grains
|
|
||||||
!********************************************************************
|
|
||||||
subroutine GIA_RelaxedDeformation(&
|
|
||||||
F,& ! relaxed deformation gradient of grains
|
|
||||||
F_bar,& ! effective deformation gradient
|
|
||||||
r) ! relaxation vectors at boundary
|
|
||||||
!
|
|
||||||
implicit none
|
|
||||||
!
|
|
||||||
real(pReal), dimension(3,3) :: F_bar
|
|
||||||
real(pReal), dimension(3,3,8) :: F
|
|
||||||
real(pReal), dimension(3,12) :: r,n
|
|
||||||
integer(pInt) i,j,iBoun,grain
|
|
||||||
!
|
|
||||||
n = GIA_bNorm
|
|
||||||
do i = 1,3
|
|
||||||
do j = 1,3
|
|
||||||
F(i,j,1) = F_bar(i,j) + n(i, 1)*r(j, 1) + n(i, 5)*r(j, 5) + n(i, 9)*r(j, 9)
|
|
||||||
F(i,j,2) = F_bar(i,j) - n(i, 1)*r(j, 1) + n(i, 6)*r(j, 6) + n(i,10)*r(j,10)
|
|
||||||
F(i,j,3) = F_bar(i,j) + n(i, 2)*r(j, 2) - n(i, 5)*r(j, 5) + n(i,11)*r(j,11)
|
|
||||||
F(i,j,4) = F_bar(i,j) - n(i, 2)*r(j, 2) - n(i, 6)*r(j, 6) + n(i,12)*r(j,12)
|
|
||||||
F(i,j,5) = F_bar(i,j) + n(i, 3)*r(j, 3) + n(i, 7)*r(j, 7) - n(i, 9)*r(j, 9)
|
|
||||||
F(i,j,6) = F_bar(i,j) - n(i, 3)*r(j, 3) + n(i, 8)*r(j, 8) - n(i,10)*r(j,10)
|
|
||||||
F(i,j,7) = F_bar(i,j) + n(i, 4)*r(j, 4) - n(i, 7)*r(j, 7) - n(i,11)*r(j,11)
|
|
||||||
F(i,j,8) = F_bar(i,j) - n(i, 4)*r(j, 4) - n(i, 8)*r(j, 8) - n(i,12)*r(j,12)
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
!
|
|
||||||
return
|
|
||||||
!
|
|
||||||
END SUBROUTINE
|
|
||||||
!
|
|
||||||
!
|
|
||||||
!********************************************************************
|
|
||||||
! Calculates the jump of tensors across the grain boundary
|
|
||||||
!********************************************************************
|
|
||||||
subroutine GIA_BoundaryJump(&
|
|
||||||
F_boun,& ! tensor jump across the boundary
|
|
||||||
F_bulk) ! bulk tensor
|
|
||||||
!
|
|
||||||
implicit none
|
|
||||||
!
|
|
||||||
real(pReal), dimension(3,3,12) :: F_boun
|
|
||||||
real(pReal), dimension(3,3,8) :: F_bulk
|
|
||||||
integer(pInt) i,j,iBoun,grain
|
|
||||||
!
|
|
||||||
F_boun(:,:, 1) = F_bulk(:,:,2) - F_bulk(:,:,1)
|
|
||||||
F_boun(:,:, 2) = F_bulk(:,:,4) - F_bulk(:,:,3)
|
|
||||||
F_boun(:,:, 3) = F_bulk(:,:,6) - F_bulk(:,:,5)
|
|
||||||
F_boun(:,:, 4) = F_bulk(:,:,8) - F_bulk(:,:,7)
|
|
||||||
F_boun(:,:, 5) = F_bulk(:,:,3) - F_bulk(:,:,1)
|
|
||||||
F_boun(:,:, 6) = F_bulk(:,:,4) - F_bulk(:,:,2)
|
|
||||||
F_boun(:,:, 7) = F_bulk(:,:,7) - F_bulk(:,:,5)
|
|
||||||
F_boun(:,:, 8) = F_bulk(:,:,8) - F_bulk(:,:,6)
|
|
||||||
F_boun(:,:, 9) = F_bulk(:,:,5) - F_bulk(:,:,1)
|
|
||||||
F_boun(:,:,10) = F_bulk(:,:,6) - F_bulk(:,:,2)
|
|
||||||
F_boun(:,:,11) = F_bulk(:,:,7) - F_bulk(:,:,3)
|
|
||||||
F_boun(:,:,12) = F_bulk(:,:,8) - F_bulk(:,:,4)
|
|
||||||
!
|
|
||||||
return
|
|
||||||
!
|
|
||||||
END SUBROUTINE
|
|
||||||
!
|
|
||||||
!
|
|
||||||
!********************************************************************
|
|
||||||
! Calculates the jump of tensors across the grain boundary
|
|
||||||
!********************************************************************
|
|
||||||
subroutine GIA_JacobianMatrix(&
|
|
||||||
dresdvar,& ! Jacobian matrix
|
|
||||||
dPdF,& ! stress consistent tangent of bulk
|
|
||||||
dRdX) ! stress-like penalty tangent at boundary
|
|
||||||
!
|
|
||||||
implicit none
|
|
||||||
!
|
|
||||||
real(pReal), dimension(3,3,3,3,8) :: dPdF
|
|
||||||
real(pReal), dimension(3,3,3,3,12) :: dRdX
|
|
||||||
real(pReal), dimension(36,36) :: dresdvar
|
|
||||||
real(pReal), dimension(3,12) :: n
|
|
||||||
integer(pInt) i,j,k,l
|
|
||||||
!
|
|
||||||
n = GIA_bNorm
|
|
||||||
dresdvar = 0.0_pReal
|
|
||||||
do i = 1,3
|
|
||||||
do k = 1,3
|
|
||||||
do l = 1,3
|
|
||||||
do j = 1,3
|
|
||||||
!
|
|
||||||
! at boundary 1, influenced by boundary +5, -6, +9, -10
|
|
||||||
dresdvar(( 1-1)*3 + j,( 1-1)*3 + l) = dresdvar(( 1-1)*3 + j,( 1-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 1) + dPdF(i,j,k,l, 2))*n(i, 1)*n(k, 1) &
|
|
||||||
+ (dRdX(i,j,k,l, 1) + dRdX(i,j,k,l, 1))*n(i, 1)*n(k, 1)
|
|
||||||
dresdvar(( 1-1)*3 + j,( 5-1)*3 + l) = dresdvar(( 1-1)*3 + j,( 5-1)*3 + l) + dPdF(i,j,k,l, 1)*n(i, 1)*n(k, 5) &
|
|
||||||
+ dRdX(i,j,k,l, 1)*n(i, 1)*n(k, 5)
|
|
||||||
dresdvar(( 1-1)*3 + j,( 6-1)*3 + l) = dresdvar(( 1-1)*3 + j,( 6-1)*3 + l) - dPdF(i,j,k,l, 2)*n(i, 1)*n(k, 6) &
|
|
||||||
- dRdX(i,j,k,l, 1)*n(i, 1)*n(k, 6)
|
|
||||||
dresdvar(( 1-1)*3 + j,( 9-1)*3 + l) = dresdvar(( 1-1)*3 + j,( 9-1)*3 + l) + dPdF(i,j,k,l, 1)*n(i, 1)*n(k, 9) &
|
|
||||||
+ dRdX(i,j,k,l, 1)*n(i, 1)*n(k, 9)
|
|
||||||
dresdvar(( 1-1)*3 + j,(10-1)*3 + l) = dresdvar(( 1-1)*3 + j,(10-1)*3 + l) - dPdF(i,j,k,l, 2)*n(i, 1)*n(k,10) &
|
|
||||||
- dRdX(i,j,k,l, 1)*n(i, 1)*n(k,10)
|
|
||||||
!
|
|
||||||
! at boundary 2, influenced by boundary -5, +6, +11, -12
|
|
||||||
dresdvar(( 2-1)*3 + j,( 2-1)*3 + l) = dresdvar(( 2-1)*3 + j,( 2-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 3) + dPdF(i,j,k,l, 4))*n(i, 2)*n(k, 2) &
|
|
||||||
+ (dRdX(i,j,k,l, 2) + dRdX(i,j,k,l, 2))*n(i, 2)*n(k, 2)
|
|
||||||
dresdvar(( 2-1)*3 + j,( 5-1)*3 + l) = dresdvar(( 2-1)*3 + j,( 5-1)*3 + l) - dPdF(i,j,k,l, 3)*n(i, 2)*n(k, 5) &
|
|
||||||
- dRdX(i,j,k,l, 2)*n(i, 2)*n(k, 5)
|
|
||||||
dresdvar(( 2-1)*3 + j,( 6-1)*3 + l) = dresdvar(( 2-1)*3 + j,( 6-1)*3 + l) + dPdF(i,j,k,l, 4)*n(i, 2)*n(k, 6) &
|
|
||||||
+ dRdX(i,j,k,l, 2)*n(i, 2)*n(k, 6)
|
|
||||||
dresdvar(( 2-1)*3 + j,(11-1)*3 + l) = dresdvar(( 2-1)*3 + j,(11-1)*3 + l) + dPdF(i,j,k,l, 3)*n(i, 2)*n(k,11) &
|
|
||||||
+ dRdX(i,j,k,l, 2)*n(i, 2)*n(k,11)
|
|
||||||
dresdvar(( 2-1)*3 + j,(12-1)*3 + l) = dresdvar(( 2-1)*3 + j,(12-1)*3 + l) - dPdF(i,j,k,l, 4)*n(i, 2)*n(k,12) &
|
|
||||||
- dRdX(i,j,k,l, 2)*n(i, 2)*n(k,12)
|
|
||||||
!
|
|
||||||
! at boundary 3, influenced by boundary +7, -8, -9, +10
|
|
||||||
dresdvar(( 3-1)*3 + j,( 3-1)*3 + l) = dresdvar(( 3-1)*3 + j,( 3-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 5) + dPdF(i,j,k,l, 6))*n(i, 3)*n(k, 3) &
|
|
||||||
+ (dRdX(i,j,k,l, 3) + dRdX(i,j,k,l, 3))*n(i, 3)*n(k, 3)
|
|
||||||
dresdvar(( 3-1)*3 + j,( 7-1)*3 + l) = dresdvar(( 3-1)*3 + j,( 7-1)*3 + l) + dPdF(i,j,k,l, 5)*n(i, 3)*n(k, 7) &
|
|
||||||
+ dRdX(i,j,k,l, 3)*n(i, 3)*n(k, 7)
|
|
||||||
dresdvar(( 3-1)*3 + j,( 8-1)*3 + l) = dresdvar(( 3-1)*3 + j,( 8-1)*3 + l) - dPdF(i,j,k,l, 6)*n(i, 3)*n(k, 8) &
|
|
||||||
- dRdX(i,j,k,l, 3)*n(i, 3)*n(k, 8)
|
|
||||||
dresdvar(( 3-1)*3 + j,( 9-1)*3 + l) = dresdvar(( 3-1)*3 + j,( 9-1)*3 + l) - dPdF(i,j,k,l, 5)*n(i, 3)*n(k, 9) &
|
|
||||||
- dRdX(i,j,k,l, 3)*n(i, 3)*n(k, 9)
|
|
||||||
dresdvar(( 3-1)*3 + j,(10-1)*3 + l) = dresdvar(( 3-1)*3 + j,(10-1)*3 + l) + dPdF(i,j,k,l, 6)*n(i, 3)*n(k,10) &
|
|
||||||
+ dRdX(i,j,k,l, 3)*n(i, 3)*n(k,10)
|
|
||||||
!
|
|
||||||
! at boundary 4, influenced by boundary -7, +8, -11, +12
|
|
||||||
dresdvar(( 4-1)*3 + j,( 4-1)*3 + l) = dresdvar(( 4-1)*3 + j,( 4-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 7) + dPdF(i,j,k,l, 8))*n(i, 4)*n(k, 4) &
|
|
||||||
+ (dRdX(i,j,k,l, 4) + dRdX(i,j,k,l, 4))*n(i, 4)*n(k, 4)
|
|
||||||
dresdvar(( 4-1)*3 + j,( 7-1)*3 + l) = dresdvar(( 4-1)*3 + j,( 7-1)*3 + l) - dPdF(i,j,k,l, 7)*n(i, 4)*n(k, 7) &
|
|
||||||
- dRdX(i,j,k,l, 4)*n(i, 4)*n(k, 7)
|
|
||||||
dresdvar(( 4-1)*3 + j,( 8-1)*3 + l) = dresdvar(( 4-1)*3 + j,( 8-1)*3 + l) + dPdF(i,j,k,l, 8)*n(i, 4)*n(k, 8) &
|
|
||||||
+ dRdX(i,j,k,l, 4)*n(i, 4)*n(k, 8)
|
|
||||||
dresdvar(( 4-1)*3 + j,(11-1)*3 + l) = dresdvar(( 4-1)*3 + j,(11-1)*3 + l) - dPdF(i,j,k,l, 7)*n(i, 4)*n(k,11) &
|
|
||||||
- dRdX(i,j,k,l, 4)*n(i, 4)*n(k,11)
|
|
||||||
dresdvar(( 4-1)*3 + j,(12-1)*3 + l) = dresdvar(( 4-1)*3 + j,(12-1)*3 + l) + dPdF(i,j,k,l, 8)*n(i, 4)*n(k,12) &
|
|
||||||
+ dRdX(i,j,k,l, 4)*n(i, 4)*n(k,12)
|
|
||||||
!
|
|
||||||
! at boundary 5, influenced by boundary +1, -2, +9, -11
|
|
||||||
dresdvar(( 5-1)*3 + j,( 5-1)*3 + l) = dresdvar(( 5-1)*3 + j,( 5-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 1) + dPdF(i,j,k,l, 3))*n(i, 5)*n(k, 5) &
|
|
||||||
+ (dRdX(i,j,k,l, 5) + dRdX(i,j,k,l, 5))*n(i, 5)*n(k, 5)
|
|
||||||
dresdvar(( 5-1)*3 + j,( 1-1)*3 + l) = dresdvar(( 5-1)*3 + j,( 1-1)*3 + l) + dPdF(i,j,k,l, 1)*n(i, 5)*n(k, 1) &
|
|
||||||
+ dRdX(i,j,k,l, 5)*n(i, 5)*n(k, 1)
|
|
||||||
dresdvar(( 5-1)*3 + j,( 2-1)*3 + l) = dresdvar(( 5-1)*3 + j,( 2-1)*3 + l) - dPdF(i,j,k,l, 3)*n(i, 5)*n(k, 2) &
|
|
||||||
- dRdX(i,j,k,l, 5)*n(i, 5)*n(k, 2)
|
|
||||||
dresdvar(( 5-1)*3 + j,( 9-1)*3 + l) = dresdvar(( 5-1)*3 + j,( 9-1)*3 + l) + dPdF(i,j,k,l, 1)*n(i, 5)*n(k, 9) &
|
|
||||||
+ dRdX(i,j,k,l, 5)*n(i, 5)*n(k, 9)
|
|
||||||
dresdvar(( 5-1)*3 + j,(11-1)*3 + l) = dresdvar(( 5-1)*3 + j,(11-1)*3 + l) - dPdF(i,j,k,l, 3)*n(i, 5)*n(k,11) &
|
|
||||||
- dRdX(i,j,k,l, 5)*n(i, 5)*n(k,11)
|
|
||||||
!
|
|
||||||
! at boundary 6, influenced by boundary -1, +2, +10, -12
|
|
||||||
dresdvar(( 6-1)*3 + j,( 6-1)*3 + l) = dresdvar(( 6-1)*3 + j,( 6-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 2) + dPdF(i,j,k,l, 4))*n(i, 6)*n(k, 6) &
|
|
||||||
+ (dRdX(i,j,k,l, 6) + dRdX(i,j,k,l, 6))*n(i, 6)*n(k, 6)
|
|
||||||
dresdvar(( 6-1)*3 + j,( 1-1)*3 + l) = dresdvar(( 6-1)*3 + j,( 1-1)*3 + l) - dPdF(i,j,k,l, 2)*n(i, 6)*n(k, 1) &
|
|
||||||
- dRdX(i,j,k,l, 6)*n(i, 6)*n(k, 1)
|
|
||||||
dresdvar(( 6-1)*3 + j,( 2-1)*3 + l) = dresdvar(( 6-1)*3 + j,( 2-1)*3 + l) + dPdF(i,j,k,l, 4)*n(i, 6)*n(k, 2) &
|
|
||||||
+ dRdX(i,j,k,l, 6)*n(i, 6)*n(k, 2)
|
|
||||||
dresdvar(( 6-1)*3 + j,(10-1)*3 + l) = dresdvar(( 6-1)*3 + j,(10-1)*3 + l) + dPdF(i,j,k,l, 2)*n(i, 6)*n(k,10) &
|
|
||||||
+ dRdX(i,j,k,l, 6)*n(i, 6)*n(k,10)
|
|
||||||
dresdvar(( 6-1)*3 + j,(12-1)*3 + l) = dresdvar(( 6-1)*3 + j,(12-1)*3 + l) - dPdF(i,j,k,l, 4)*n(i, 6)*n(k,12) &
|
|
||||||
- dRdX(i,j,k,l, 6)*n(i, 6)*n(k,12)
|
|
||||||
!
|
|
||||||
! at boundary 7, influenced by boundary +3, -4, -9, +11
|
|
||||||
dresdvar(( 7-1)*3 + j,( 7-1)*3 + l) = dresdvar(( 7-1)*3 + j,( 7-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 5) + dPdF(i,j,k,l, 7))*n(i, 7)*n(k, 7) &
|
|
||||||
+ (dRdX(i,j,k,l, 7) + dRdX(i,j,k,l, 7))*n(i, 7)*n(k, 7)
|
|
||||||
dresdvar(( 7-1)*3 + j,( 3-1)*3 + l) = dresdvar(( 7-1)*3 + j,( 3-1)*3 + l) + dPdF(i,j,k,l, 5)*n(i, 7)*n(k, 3) &
|
|
||||||
+ dRdX(i,j,k,l, 7)*n(i, 7)*n(k, 3)
|
|
||||||
dresdvar(( 7-1)*3 + j,( 4-1)*3 + l) = dresdvar(( 7-1)*3 + j,( 4-1)*3 + l) - dPdF(i,j,k,l, 7)*n(i, 7)*n(k, 4) &
|
|
||||||
- dRdX(i,j,k,l, 7)*n(i, 7)*n(k, 4)
|
|
||||||
dresdvar(( 7-1)*3 + j,( 9-1)*3 + l) = dresdvar(( 7-1)*3 + j,( 9-1)*3 + l) - dPdF(i,j,k,l, 5)*n(i, 7)*n(k, 9) &
|
|
||||||
- dRdX(i,j,k,l, 7)*n(i, 7)*n(k, 9)
|
|
||||||
dresdvar(( 7-1)*3 + j,(11-1)*3 + l) = dresdvar(( 7-1)*3 + j,(11-1)*3 + l) + dPdF(i,j,k,l, 7)*n(i, 7)*n(k,11) &
|
|
||||||
+ dRdX(i,j,k,l, 7)*n(i, 7)*n(k,11)
|
|
||||||
!
|
|
||||||
! at boundary 8, influenced by boundary -3, +4, -10, +12
|
|
||||||
dresdvar(( 8-1)*3 + j,( 8-1)*3 + l) = dresdvar(( 8-1)*3 + j,( 8-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 6) + dPdF(i,j,k,l, 8))*n(i, 8)*n(k, 8) &
|
|
||||||
+ (dRdX(i,j,k,l, 8) + dRdX(i,j,k,l, 8))*n(i, 8)*n(k, 8)
|
|
||||||
dresdvar(( 8-1)*3 + j,( 3-1)*3 + l) = dresdvar(( 8-1)*3 + j,( 3-1)*3 + l) - dPdF(i,j,k,l, 6)*n(i, 8)*n(k, 3) &
|
|
||||||
- dRdX(i,j,k,l, 8)*n(i, 8)*n(k, 3)
|
|
||||||
dresdvar(( 8-1)*3 + j,( 4-1)*3 + l) = dresdvar(( 8-1)*3 + j,( 4-1)*3 + l) + dPdF(i,j,k,l, 8)*n(i, 8)*n(k, 4) &
|
|
||||||
+ dRdX(i,j,k,l, 8)*n(i, 8)*n(k, 4)
|
|
||||||
dresdvar(( 8-1)*3 + j,(10-1)*3 + l) = dresdvar(( 8-1)*3 + j,(10-1)*3 + l) - dPdF(i,j,k,l, 6)*n(i, 8)*n(k,10) &
|
|
||||||
- dRdX(i,j,k,l, 8)*n(i, 8)*n(k,10)
|
|
||||||
dresdvar(( 8-1)*3 + j,(12-1)*3 + l) = dresdvar(( 8-1)*3 + j,(12-1)*3 + l) + dPdF(i,j,k,l, 8)*n(i, 8)*n(k,12) &
|
|
||||||
+ dRdX(i,j,k,l, 8)*n(i, 8)*n(k,12)
|
|
||||||
!
|
|
||||||
! at boundary 9, influenced by boundary +1, -3, +5, -7
|
|
||||||
dresdvar(( 9-1)*3 + j,( 9-1)*3 + l) = dresdvar(( 9-1)*3 + j,( 9-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 1) + dPdF(i,j,k,l, 5))*n(i, 9)*n(k, 9) &
|
|
||||||
+ (dRdX(i,j,k,l, 9) + dRdX(i,j,k,l, 9))*n(i, 9)*n(k, 9)
|
|
||||||
dresdvar(( 9-1)*3 + j,( 1-1)*3 + l) = dresdvar(( 9-1)*3 + j,( 1-1)*3 + l) + dPdF(i,j,k,l, 1)*n(i, 9)*n(k, 1) &
|
|
||||||
+ dRdX(i,j,k,l, 9)*n(i, 9)*n(k, 1)
|
|
||||||
dresdvar(( 9-1)*3 + j,( 3-1)*3 + l) = dresdvar(( 9-1)*3 + j,( 3-1)*3 + l) - dPdF(i,j,k,l, 5)*n(i, 9)*n(k, 3) &
|
|
||||||
- dRdX(i,j,k,l, 9)*n(i, 9)*n(k, 3)
|
|
||||||
dresdvar(( 9-1)*3 + j,( 5-1)*3 + l) = dresdvar(( 9-1)*3 + j,( 5-1)*3 + l) + dPdF(i,j,k,l, 1)*n(i, 9)*n(k, 5) &
|
|
||||||
+ dRdX(i,j,k,l, 9)*n(i, 9)*n(k, 5)
|
|
||||||
dresdvar(( 9-1)*3 + j,( 7-1)*3 + l) = dresdvar(( 9-1)*3 + j,( 7-1)*3 + l) - dPdF(i,j,k,l, 5)*n(i, 9)*n(k, 7) &
|
|
||||||
- dRdX(i,j,k,l, 9)*n(i, 9)*n(k, 7)
|
|
||||||
!
|
|
||||||
! at boundary 10, influenced by boundary -1, +3, +6, -8
|
|
||||||
dresdvar((10-1)*3 + j,(10-1)*3 + l) = dresdvar((10-1)*3 + j,(10-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 2) + dPdF(i,j,k,l, 6))*n(i,10)*n(k,10) &
|
|
||||||
+ (dRdX(i,j,k,l,10) + dRdX(i,j,k,l,10))*n(i,10)*n(k,10)
|
|
||||||
dresdvar((10-1)*3 + j,( 1-1)*3 + l) = dresdvar((10-1)*3 + j,( 1-1)*3 + l) - dPdF(i,j,k,l, 2)*n(i,10)*n(k, 1) &
|
|
||||||
- dRdX(i,j,k,l,10)*n(i,10)*n(k, 1)
|
|
||||||
dresdvar((10-1)*3 + j,( 3-1)*3 + l) = dresdvar((10-1)*3 + j,( 3-1)*3 + l) + dPdF(i,j,k,l, 6)*n(i,10)*n(k, 3) &
|
|
||||||
+ dRdX(i,j,k,l,10)*n(i,10)*n(k, 3)
|
|
||||||
dresdvar((10-1)*3 + j,( 6-1)*3 + l) = dresdvar((10-1)*3 + j,( 6-1)*3 + l) + dPdF(i,j,k,l, 2)*n(i,10)*n(k, 6) &
|
|
||||||
+ dRdX(i,j,k,l,10)*n(i,10)*n(k, 6)
|
|
||||||
dresdvar((10-1)*3 + j,( 8-1)*3 + l) = dresdvar((10-1)*3 + j,( 8-1)*3 + l) - dPdF(i,j,k,l, 6)*n(i,10)*n(k, 8) &
|
|
||||||
- dRdX(i,j,k,l,10)*n(i,10)*n(k, 8)
|
|
||||||
!
|
|
||||||
! at boundary 11, influenced by boundary +2, -4, -5, +7
|
|
||||||
dresdvar((11-1)*3 + j,(11-1)*3 + l) = dresdvar((11-1)*3 + j,(11-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 3) + dPdF(i,j,k,l, 7))*n(i,11)*n(k,11) &
|
|
||||||
+ (dRdX(i,j,k,l,11) + dRdX(i,j,k,l,11))*n(i,11)*n(k,11)
|
|
||||||
dresdvar((11-1)*3 + j,( 2-1)*3 + l) = dresdvar((11-1)*3 + j,( 2-1)*3 + l) + dPdF(i,j,k,l, 3)*n(i,11)*n(k, 2) &
|
|
||||||
+ dRdX(i,j,k,l,11)*n(i,11)*n(k, 2)
|
|
||||||
dresdvar((11-1)*3 + j,( 4-1)*3 + l) = dresdvar((11-1)*3 + j,( 4-1)*3 + l) - dPdF(i,j,k,l, 7)*n(i,11)*n(k, 4) &
|
|
||||||
- dRdX(i,j,k,l,11)*n(i,11)*n(k, 4)
|
|
||||||
dresdvar((11-1)*3 + j,( 5-1)*3 + l) = dresdvar((11-1)*3 + j,( 5-1)*3 + l) - dPdF(i,j,k,l, 3)*n(i,11)*n(k, 5) &
|
|
||||||
- dRdX(i,j,k,l,11)*n(i,11)*n(k, 5)
|
|
||||||
dresdvar((11-1)*3 + j,( 7-1)*3 + l) = dresdvar((11-1)*3 + j,( 7-1)*3 + l) + dPdF(i,j,k,l, 7)*n(i,11)*n(k, 7) &
|
|
||||||
+ dRdX(i,j,k,l,11)*n(i,11)*n(k, 7)
|
|
||||||
!
|
|
||||||
! at boundary 12, influenced by boundary -2, +4, -6, +8
|
|
||||||
dresdvar((12-1)*3 + j,(12-1)*3 + l) = dresdvar((12-1)*3 + j,(12-1)*3 + l) &
|
|
||||||
+ (dPdF(i,j,k,l, 4) + dPdF(i,j,k,l, 8))*n(i,12)*n(k,12) &
|
|
||||||
+ (dRdX(i,j,k,l,12) + dRdX(i,j,k,l,12))*n(i,12)*n(k,12)
|
|
||||||
dresdvar((12-1)*3 + j,( 2-1)*3 + l) = dresdvar((12-1)*3 + j,( 2-1)*3 + l) - dPdF(i,j,k,l, 4)*n(i,12)*n(k, 2) &
|
|
||||||
- dRdX(i,j,k,l,12)*n(i,12)*n(k, 2)
|
|
||||||
dresdvar((12-1)*3 + j,( 4-1)*3 + l) = dresdvar((12-1)*3 + j,( 4-1)*3 + l) + dPdF(i,j,k,l, 8)*n(i,12)*n(k, 4) &
|
|
||||||
+ dRdX(i,j,k,l,12)*n(i,12)*n(k, 4)
|
|
||||||
dresdvar((12-1)*3 + j,( 6-1)*3 + l) = dresdvar((12-1)*3 + j,( 6-1)*3 + l) - dPdF(i,j,k,l, 4)*n(i,12)*n(k, 6) &
|
|
||||||
- dRdX(i,j,k,l,12)*n(i,12)*n(k, 6)
|
|
||||||
dresdvar((12-1)*3 + j,( 8-1)*3 + l) = dresdvar((12-1)*3 + j,( 8-1)*3 + l) + dPdF(i,j,k,l, 8)*n(i,12)*n(k, 8) &
|
|
||||||
+ dRdX(i,j,k,l,12)*n(i,12)*n(k, 8)
|
|
||||||
!
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
enddo
|
|
||||||
!
|
|
||||||
return
|
|
||||||
!
|
|
||||||
END SUBROUTINE
|
|
||||||
!
|
|
||||||
!
|
|
||||||
END MODULE
|
|
||||||
!##############################################################
|
|
||||||
|
|
||||||
17
code/IO.f90
17
code/IO.f90
|
|
@ -869,14 +869,21 @@ endfunction
|
||||||
msg = 'Non-positive relative tolerance for stress'
|
msg = 'Non-positive relative tolerance for stress'
|
||||||
case (271)
|
case (271)
|
||||||
msg = 'Non-positive absolute tolerance for stress'
|
msg = 'Non-positive absolute tolerance for stress'
|
||||||
|
|
||||||
|
!* Error messages related to RGC numerical parameters <<<updated 31.07.2009>>>
|
||||||
case (272)
|
case (272)
|
||||||
msg = 'Non-positive relative tolerance of residual in GIA iteration'
|
msg = 'Non-positive relative tolerance of residual in RGC'
|
||||||
case (273)
|
case (273)
|
||||||
msg = 'Non-positive absolute tolerance of residual in GIA iteration'
|
msg = 'Non-positive absolute tolerance of residual in RGC'
|
||||||
case (274)
|
case (274)
|
||||||
msg = 'Non-positive relative maximum value (upper bound) for GIA residual'
|
msg = 'Non-positive relative maximum of residual in RGC'
|
||||||
case (275)
|
case (275)
|
||||||
msg = 'Limit for GIA iteration too small'
|
msg = 'Non-positive absolute maximum of residual in RGC'
|
||||||
|
case (276)
|
||||||
|
msg = 'Non-positive penalty perturbation in RGC'
|
||||||
|
case (277)
|
||||||
|
msg = 'Non-positive relevant mismatch in RGC'
|
||||||
|
|
||||||
case (300)
|
case (300)
|
||||||
msg = 'This material can only be used with elements with three direct stress components'
|
msg = 'This material can only be used with elements with three direct stress components'
|
||||||
case (500)
|
case (500)
|
||||||
|
|
@ -887,8 +894,6 @@ endfunction
|
||||||
msg = 'Stress loop not converged'
|
msg = 'Stress loop not converged'
|
||||||
case (700)
|
case (700)
|
||||||
msg = 'Singular matrix in stress iteration'
|
msg = 'Singular matrix in stress iteration'
|
||||||
case (800)
|
|
||||||
msg = 'RGC requires 8 grains per IP (bonehead, you!) -- but now outdated'
|
|
||||||
case default
|
case default
|
||||||
msg = 'Unknown error number...'
|
msg = 'Unknown error number...'
|
||||||
end select
|
end select
|
||||||
|
|
|
||||||
|
|
@ -454,8 +454,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
||||||
if ( crystallite_requested(g,i,e) &
|
if ( crystallite_requested(g,i,e) &
|
||||||
.and. crystallite_onTrack(g,i,e) &
|
.and. crystallite_onTrack(g,i,e) &
|
||||||
.and. .not. crystallite_converged(g,i,e)) then ! all undone crystallites
|
.and. .not. crystallite_converged(g,i,e)) then ! all undone crystallites
|
||||||
crystallite_converged(g,i,e) = (crystallite_updateState(g,i,e) .and. &
|
crystallite_converged(g,i,e) = crystallite_updateState(g,i,e) .and. &
|
||||||
crystallite_updateTemperature(g,i,e))
|
crystallite_updateTemperature(g,i,e)
|
||||||
if (debugger) write (6,*) g,i,e,'converged after updState',crystallite_converged(g,i,e)
|
if (debugger) write (6,*) g,i,e,'converged after updState',crystallite_converged(g,i,e)
|
||||||
if (crystallite_converged(g,i,e)) then
|
if (crystallite_converged(g,i,e)) then
|
||||||
!$OMP CRITICAL (distributionState)
|
!$OMP CRITICAL (distributionState)
|
||||||
|
|
@ -653,10 +653,12 @@ endsubroutine
|
||||||
! update the microstructure
|
! update the microstructure
|
||||||
constitutive_state(g,i,e)%p(1:mySize) = constitutive_state(g,i,e)%p(1:mySize) - residuum
|
constitutive_state(g,i,e)%p(1:mySize) = constitutive_state(g,i,e)%p(1:mySize) - residuum
|
||||||
|
|
||||||
! setting flag to true if state is below relative tolerance, otherwise set it to false
|
! setting flag to true if state is below relative tolerance, otherwise set it to false <<<updated 31.07.2009>>>
|
||||||
crystallite_updateState = maxval(abs(residuum/constitutive_state(g,i,e)%p(1:mySize)), &
|
crystallite_updateState = all(constitutive_state(g,i,e)%p(1:mySize) == 0.0_pReal .or. &
|
||||||
constitutive_state(g,i,e)%p(1:mySize) /= 0.0_pReal) < rTol_crystalliteState
|
abs(residuum) < rTol_crystalliteState*abs(constitutive_state(g,i,e)%p(1:mySize)))
|
||||||
|
if (debugger) then
|
||||||
|
write(6,'(a,/,12(f10.5,x))') 'resid tolerance',abs(residuum/rTol_crystalliteState/constitutive_state(g,i,e)%p(1:mySize))
|
||||||
|
endif
|
||||||
return
|
return
|
||||||
|
|
||||||
endfunction
|
endfunction
|
||||||
|
|
@ -718,12 +720,9 @@ endsubroutine
|
||||||
! update the microstructure
|
! update the microstructure
|
||||||
crystallite_Temperature(g,i,e) = crystallite_Temperature(g,i,e) - residuum
|
crystallite_Temperature(g,i,e) = crystallite_Temperature(g,i,e) - residuum
|
||||||
|
|
||||||
! setting flag to true if residuum is below relative tolerance (or zero Kelvin), otherwise set it to false
|
! setting flag to true if residuum is below relative tolerance (or zero Kelvin), otherwise set it to false <<<updated 31.07.2009>>>
|
||||||
if (crystallite_Temperature(g,i,e) /= 0.0_pReal) then
|
crystallite_updateTemperature = crystallite_Temperature(g,i,e) == 0.0_pReal .or. &
|
||||||
crystallite_updateTemperature = abs(residuum/crystallite_Temperature(g,i,e)) < rTol_crystalliteTemperature
|
abs(residuum) < rTol_crystalliteTemperature*crystallite_Temperature(g,i,e)
|
||||||
else
|
|
||||||
crystallite_updateTemperature = .true.
|
|
||||||
endif
|
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -9,6 +9,7 @@
|
||||||
integer(pInt), dimension(:), allocatable :: debug_StateLoopDistribution
|
integer(pInt), dimension(:), allocatable :: debug_StateLoopDistribution
|
||||||
integer(pInt), dimension(:), allocatable :: debug_StiffnessStateLoopDistribution
|
integer(pInt), dimension(:), allocatable :: debug_StiffnessStateLoopDistribution
|
||||||
integer(pInt), dimension(:), allocatable :: debug_CrystalliteLoopDistribution
|
integer(pInt), dimension(:), allocatable :: debug_CrystalliteLoopDistribution
|
||||||
|
integer(pInt), dimension(:), allocatable :: debug_MaterialpointLoopDistribution ! added <<<updated 31.07.2009>>>
|
||||||
integer(pLongInt) :: debug_cumLpTicks = 0_pInt
|
integer(pLongInt) :: debug_cumLpTicks = 0_pInt
|
||||||
integer(pLongInt) :: debug_cumDotStateTicks = 0_pInt
|
integer(pLongInt) :: debug_cumDotStateTicks = 0_pInt
|
||||||
integer(pLongInt) :: debug_cumDotTemperatureTicks = 0_pInt
|
integer(pLongInt) :: debug_cumDotTemperatureTicks = 0_pInt
|
||||||
|
|
@ -25,7 +26,8 @@ subroutine debug_init()
|
||||||
use prec, only: pInt
|
use prec, only: pInt
|
||||||
use numerics, only: nStress, &
|
use numerics, only: nStress, &
|
||||||
nState, &
|
nState, &
|
||||||
nCryst
|
nCryst, &
|
||||||
|
nHomog ! added <<<updated 31.07.2009>>>
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
write(6,*)
|
write(6,*)
|
||||||
|
|
@ -36,6 +38,7 @@ subroutine debug_init()
|
||||||
allocate(debug_StateLoopDistribution(nState)) ; debug_StateLoopDistribution = 0_pInt
|
allocate(debug_StateLoopDistribution(nState)) ; debug_StateLoopDistribution = 0_pInt
|
||||||
allocate(debug_StiffnessStateLoopDistribution(nState)) ; debug_StiffnessStateLoopDistribution = 0_pInt
|
allocate(debug_StiffnessStateLoopDistribution(nState)) ; debug_StiffnessStateLoopDistribution = 0_pInt
|
||||||
allocate(debug_CrystalliteLoopDistribution(nCryst)) ; debug_CrystalliteLoopDistribution = 0_pInt
|
allocate(debug_CrystalliteLoopDistribution(nCryst)) ; debug_CrystalliteLoopDistribution = 0_pInt
|
||||||
|
allocate(debug_MaterialpointLoopDistribution(nhomog)) ; debug_MaterialpointLoopDistribution = 0_pInt ! added <<<updated 31.07.2009>>>
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
|
|
@ -50,6 +53,7 @@ subroutine debug_reset()
|
||||||
debug_StateLoopDistribution = 0_pInt
|
debug_StateLoopDistribution = 0_pInt
|
||||||
debug_StiffnessStateLoopDistribution = 0_pInt
|
debug_StiffnessStateLoopDistribution = 0_pInt
|
||||||
debug_CrystalliteLoopDistribution = 0_pInt
|
debug_CrystalliteLoopDistribution = 0_pInt
|
||||||
|
debug_MaterialpointLoopDistribution = 0_pInt ! added <<<updated 31.07.2009>>>
|
||||||
debug_cumLpTicks = 0_pInt
|
debug_cumLpTicks = 0_pInt
|
||||||
debug_cumDotStateTicks = 0_pInt
|
debug_cumDotStateTicks = 0_pInt
|
||||||
debug_cumDotTemperatureTicks = 0_pInt
|
debug_cumDotTemperatureTicks = 0_pInt
|
||||||
|
|
@ -67,7 +71,8 @@ endsubroutine
|
||||||
use prec
|
use prec
|
||||||
use numerics, only: nStress, &
|
use numerics, only: nStress, &
|
||||||
nState, &
|
nState, &
|
||||||
nCryst
|
nCryst, &
|
||||||
|
nHomog ! added <<<updated 31.07.2009>>>
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
integer(pInt) i,integral
|
integer(pInt) i,integral
|
||||||
|
|
@ -145,6 +150,19 @@ endsubroutine
|
||||||
write(6,'(a15,i10,i10)') ' total',integral,sum(debug_CrystalliteLoopDistribution)
|
write(6,'(a15,i10,i10)') ' total',integral,sum(debug_CrystalliteLoopDistribution)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
|
|
||||||
|
!* Material point loop counter <<<updated 31.07.2009>>>
|
||||||
|
integral = 0_pInt
|
||||||
|
write(6,*)
|
||||||
|
write(6,*) 'distribution_MaterialpointLoop :'
|
||||||
|
do i=1,nCryst
|
||||||
|
if (debug_MaterialpointLoopDistribution(i) /= 0) then
|
||||||
|
integral = integral + i*debug_MaterialpointLoopDistribution(i)
|
||||||
|
write(6,'(i25,i10)') i,debug_MaterialpointLoopDistribution(i)
|
||||||
|
endif
|
||||||
|
enddo
|
||||||
|
write(6,'(a15,i10,i10)') ' total',integral,sum(debug_MaterialpointLoopDistribution)
|
||||||
|
write(6,*)
|
||||||
|
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
||||||
END MODULE debug
|
END MODULE debug
|
||||||
|
|
|
||||||
|
|
@ -60,15 +60,16 @@ subroutine homogenization_init(Temperature)
|
||||||
use constitutive, only: constitutive_maxSizePostResults
|
use constitutive, only: constitutive_maxSizePostResults
|
||||||
use crystallite, only: crystallite_Nresults
|
use crystallite, only: crystallite_Nresults
|
||||||
use homogenization_isostrain
|
use homogenization_isostrain
|
||||||
! use homogenization_RGC
|
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
|
|
||||||
real(pReal) Temperature
|
real(pReal) Temperature
|
||||||
integer(pInt), parameter :: fileunit = 200
|
integer(pInt), parameter :: fileunit = 200
|
||||||
integer(pInt) e,i,g,myInstance
|
integer(pInt) e,i,g,myInstance,j
|
||||||
|
|
||||||
if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
|
if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
|
||||||
|
|
||||||
call homogenization_isostrain_init(fileunit) ! parse all homogenizations of this type
|
call homogenization_isostrain_init(fileunit) ! parse all homogenizations of this type
|
||||||
|
call homogenization_RGC_init(fileunit) ! RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
|
|
||||||
close(fileunit)
|
close(fileunit)
|
||||||
|
|
||||||
|
|
@ -101,6 +102,7 @@ subroutine homogenization_init(Temperature)
|
||||||
myInstance = homogenization_typeInstance(mesh_element(3,e))
|
myInstance = homogenization_typeInstance(mesh_element(3,e))
|
||||||
do i = 1,FE_Nips(mesh_element(2,e)) ! loop over IPs
|
do i = 1,FE_Nips(mesh_element(2,e)) ! loop over IPs
|
||||||
select case(homogenization_type(mesh_element(3,e)))
|
select case(homogenization_type(mesh_element(3,e)))
|
||||||
|
!* isostrain
|
||||||
case (homogenization_isostrain_label)
|
case (homogenization_isostrain_label)
|
||||||
if (homogenization_isostrain_sizeState(myInstance) > 0_pInt) then
|
if (homogenization_isostrain_sizeState(myInstance) > 0_pInt) then
|
||||||
allocate(homogenization_state0(i,e)%p(homogenization_isostrain_sizeState(myInstance)))
|
allocate(homogenization_state0(i,e)%p(homogenization_isostrain_sizeState(myInstance)))
|
||||||
|
|
@ -110,6 +112,16 @@ subroutine homogenization_init(Temperature)
|
||||||
homogenization_sizeState(i,e) = homogenization_isostrain_sizeState(myInstance)
|
homogenization_sizeState(i,e) = homogenization_isostrain_sizeState(myInstance)
|
||||||
endif
|
endif
|
||||||
homogenization_sizePostResults(i,e) = homogenization_isostrain_sizePostResults(myInstance)
|
homogenization_sizePostResults(i,e) = homogenization_isostrain_sizePostResults(myInstance)
|
||||||
|
!* RGC homogenization: added <<<updated 31.07.2009>>>
|
||||||
|
case (homogenization_RGC_label)
|
||||||
|
if (homogenization_RGC_sizeState(myInstance) > 0_pInt) then
|
||||||
|
allocate(homogenization_state0(i,e)%p(homogenization_RGC_sizeState(myInstance)))
|
||||||
|
allocate(homogenization_subState0(i,e)%p(homogenization_RGC_sizeState(myInstance)))
|
||||||
|
allocate(homogenization_state(i,e)%p(homogenization_RGC_sizeState(myInstance)))
|
||||||
|
homogenization_state0(i,e)%p = homogenization_RGC_stateInit(myInstance)
|
||||||
|
homogenization_sizeState(i,e) = homogenization_RGC_sizeState(myInstance)
|
||||||
|
endif
|
||||||
|
homogenization_sizePostResults(i,e) = homogenization_RGC_sizePostResults(myInstance)
|
||||||
case default
|
case default
|
||||||
call IO_error(201,ext_msg=homogenization_type(mesh_element(3,e))) ! unknown type 201 is homogenization!
|
call IO_error(201,ext_msg=homogenization_type(mesh_element(3,e))) ! unknown type 201 is homogenization!
|
||||||
end select
|
end select
|
||||||
|
|
@ -198,6 +210,7 @@ subroutine materialpoint_stressAndItsTangent(&
|
||||||
crystallite_dt, &
|
crystallite_dt, &
|
||||||
crystallite_requested, &
|
crystallite_requested, &
|
||||||
crystallite_stressAndItsTangent
|
crystallite_stressAndItsTangent
|
||||||
|
use debug, only: debug_MaterialpointLoopdistribution ! added <<<updated 31.07.2009>>>
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
|
|
@ -210,11 +223,11 @@ subroutine materialpoint_stressAndItsTangent(&
|
||||||
|
|
||||||
write (6,*)
|
write (6,*)
|
||||||
write (6,*) 'Material Point start'
|
write (6,*) 'Material Point start'
|
||||||
write (6,'(a,/,(f12.7,x))') 'Temp0 of 8 1' ,materialpoint_Temperature(8,1)
|
write (6,'(a,/,(f12.7,x))') 'Temp0 of 1 1' ,materialpoint_Temperature(1,1)
|
||||||
write (6,'(a,/,3(3(f12.7,x)/))') 'F0 of 8 1',materialpoint_F0(1:3,:,8,1)
|
write (6,'(a,/,3(3(f12.7,x)/))') 'F0 of 1 1',materialpoint_F0(1:3,:,1,1)
|
||||||
write (6,'(a,/,3(3(f12.7,x)/))') 'F of 8 1',materialpoint_F(1:3,:,8,1)
|
write (6,'(a,/,3(3(f12.7,x)/))') 'F of 1 1',materialpoint_F(1:3,:,1,1)
|
||||||
write (6,'(a,/,3(3(f12.7,x)/))') 'Fp0 of 1 8 1',crystallite_Fp0(1:3,:,1,8,1)
|
write (6,'(a,/,3(3(f12.7,x)/))') 'Fp0 of 1 1 1',crystallite_Fp0(1:3,:,1,1,1)
|
||||||
write (6,'(a,/,3(3(f12.7,x)/))') 'Lp0 of 1 8 1',crystallite_Lp0(1:3,:,1,8,1)
|
write (6,'(a,/,3(3(f12.7,x)/))') 'Lp0 of 1 1 1',crystallite_Lp0(1:3,:,1,1,1)
|
||||||
|
|
||||||
!$OMP PARALLEL DO
|
!$OMP PARALLEL DO
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
|
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
|
||||||
|
|
@ -302,6 +315,12 @@ subroutine materialpoint_stressAndItsTangent(&
|
||||||
enddo
|
enddo
|
||||||
!$OMP END PARALLEL DO
|
!$OMP END PARALLEL DO
|
||||||
|
|
||||||
|
!* Checks for cutback/substepping loops: added <<<updated 31.07.2009>>>
|
||||||
|
write (6,'(a,/,8(L,x))') 'MP exceeds substep min',materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMin
|
||||||
|
write (6,'(a,/,8(L,x))') 'MP requested',materialpoint_requested(:,FEsolving_execELem(1):FEsolving_execElem(2))
|
||||||
|
write (6,'(a,/,8(f6.4,x))') 'MP subFrac',materialpoint_subFrac(:,FEsolving_execELem(1):FEsolving_execElem(2))
|
||||||
|
write (6,'(a,/,8(f6.4,x))') 'MP subStep',materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2))
|
||||||
|
|
||||||
! ------ convergence loop material point homogenization ------
|
! ------ convergence loop material point homogenization ------
|
||||||
|
|
||||||
homogenization_Niteration = 0_pInt
|
homogenization_Niteration = 0_pInt
|
||||||
|
|
@ -350,6 +369,9 @@ subroutine materialpoint_stressAndItsTangent(&
|
||||||
.not. materialpoint_doneAndHappy(1,i,e)) then
|
.not. materialpoint_doneAndHappy(1,i,e)) then
|
||||||
materialpoint_doneAndHappy(:,i,e) = homogenization_updateState(i,e)
|
materialpoint_doneAndHappy(:,i,e) = homogenization_updateState(i,e)
|
||||||
materialpoint_converged(i,e) = all(materialpoint_doneAndHappy(:,i,e)) ! converged if done and happy
|
materialpoint_converged(i,e) = all(materialpoint_doneAndHappy(:,i,e)) ! converged if done and happy
|
||||||
|
if (materialpoint_converged(i,e)) & ! added <<<updated 31.07.2009>>>
|
||||||
|
debug_MaterialpointLoopdistribution(homogenization_Niteration) = &
|
||||||
|
debug_MaterialpointLoopdistribution(homogenization_Niteration) + 1
|
||||||
endif
|
endif
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
|
@ -434,6 +456,7 @@ subroutine homogenization_partitionDeformation(&
|
||||||
use material, only: homogenization_type, homogenization_maxNgrains
|
use material, only: homogenization_type, homogenization_maxNgrains
|
||||||
use crystallite, only: crystallite_partionedF0,crystallite_partionedF
|
use crystallite, only: crystallite_partionedF0,crystallite_partionedF
|
||||||
use homogenization_isostrain
|
use homogenization_isostrain
|
||||||
|
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
|
|
@ -441,12 +464,21 @@ subroutine homogenization_partitionDeformation(&
|
||||||
|
|
||||||
select case(homogenization_type(mesh_element(3,el)))
|
select case(homogenization_type(mesh_element(3,el)))
|
||||||
case (homogenization_isostrain_label)
|
case (homogenization_isostrain_label)
|
||||||
|
!* isostrain
|
||||||
call homogenization_isostrain_partitionDeformation(crystallite_partionedF(:,:,:,ip,el), &
|
call homogenization_isostrain_partitionDeformation(crystallite_partionedF(:,:,:,ip,el), &
|
||||||
crystallite_partionedF0(:,:,:,ip,el),&
|
crystallite_partionedF0(:,:,:,ip,el),&
|
||||||
materialpoint_subF(:,:,ip,el),&
|
materialpoint_subF(:,:,ip,el),&
|
||||||
homogenization_state(ip,el), &
|
homogenization_state(ip,el), &
|
||||||
ip, &
|
ip, &
|
||||||
el)
|
el)
|
||||||
|
!* RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
|
case (homogenization_RGC_label)
|
||||||
|
call homogenization_RGC_partitionDeformation(crystallite_partionedF(:,:,:,ip,el), &
|
||||||
|
crystallite_partionedF0(:,:,:,ip,el),&
|
||||||
|
materialpoint_subF(:,:,ip,el),&
|
||||||
|
homogenization_state(ip,el), &
|
||||||
|
ip, &
|
||||||
|
el)
|
||||||
end select
|
end select
|
||||||
|
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
@ -463,21 +495,33 @@ function homogenization_updateState(&
|
||||||
use prec, only: pReal,pInt
|
use prec, only: pReal,pInt
|
||||||
use mesh, only: mesh_element
|
use mesh, only: mesh_element
|
||||||
use material, only: homogenization_type, homogenization_maxNgrains
|
use material, only: homogenization_type, homogenization_maxNgrains
|
||||||
use crystallite, only: crystallite_P,crystallite_dPdF
|
use crystallite, only: crystallite_P,crystallite_dPdF,crystallite_partionedF,crystallite_partionedF0 ! modified <<<updated 31.07.2009>>>
|
||||||
|
|
||||||
use homogenization_isostrain
|
use homogenization_isostrain
|
||||||
|
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
integer(pInt), intent(in) :: ip,el
|
integer(pInt), intent(in) :: ip,el
|
||||||
logical, dimension(2) :: homogenization_updateState
|
logical, dimension(2) :: homogenization_updateState
|
||||||
|
|
||||||
select case(homogenization_type(mesh_element(3,el)))
|
select case(homogenization_type(mesh_element(3,el)))
|
||||||
|
!* isostrain
|
||||||
case (homogenization_isostrain_label)
|
case (homogenization_isostrain_label)
|
||||||
homogenization_updateState = homogenization_isostrain_updateState( homogenization_state(ip,el), &
|
homogenization_updateState = homogenization_isostrain_updateState( homogenization_state(ip,el), &
|
||||||
crystallite_P(:,:,:,ip,el), &
|
crystallite_P(:,:,:,ip,el), &
|
||||||
crystallite_dPdF(:,:,:,:,:,ip,el), &
|
crystallite_dPdF(:,:,:,:,:,ip,el), &
|
||||||
ip, &
|
ip, &
|
||||||
el)
|
el)
|
||||||
|
!* RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
|
case (homogenization_RGC_label)
|
||||||
|
homogenization_updateState = homogenization_RGC_updateState( homogenization_state(ip,el), &
|
||||||
|
crystallite_P(:,:,:,ip,el), &
|
||||||
|
crystallite_partionedF(:,:,:,ip,el), &
|
||||||
|
crystallite_partionedF0(:,:,:,ip,el),&
|
||||||
|
materialpoint_subF(:,:,ip,el),&
|
||||||
|
crystallite_dPdF(:,:,:,:,:,ip,el), &
|
||||||
|
ip, &
|
||||||
|
el)
|
||||||
end select
|
end select
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
@ -497,12 +541,14 @@ subroutine homogenization_averageStressAndItsTangent(&
|
||||||
use material, only: homogenization_type, homogenization_maxNgrains
|
use material, only: homogenization_type, homogenization_maxNgrains
|
||||||
use crystallite, only: crystallite_P,crystallite_dPdF
|
use crystallite, only: crystallite_P,crystallite_dPdF
|
||||||
|
|
||||||
|
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
use homogenization_isostrain
|
use homogenization_isostrain
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
integer(pInt), intent(in) :: ip,el
|
integer(pInt), intent(in) :: ip,el
|
||||||
|
|
||||||
select case(homogenization_type(mesh_element(3,el)))
|
select case(homogenization_type(mesh_element(3,el)))
|
||||||
|
!* isostrain
|
||||||
case (homogenization_isostrain_label)
|
case (homogenization_isostrain_label)
|
||||||
call homogenization_isostrain_averageStressAndItsTangent( materialpoint_P(:,:,ip,el), &
|
call homogenization_isostrain_averageStressAndItsTangent( materialpoint_P(:,:,ip,el), &
|
||||||
materialpoint_dPdF(:,:,:,:,ip,el),&
|
materialpoint_dPdF(:,:,:,:,ip,el),&
|
||||||
|
|
@ -510,6 +556,14 @@ subroutine homogenization_averageStressAndItsTangent(&
|
||||||
crystallite_dPdF(:,:,:,:,:,ip,el), &
|
crystallite_dPdF(:,:,:,:,:,ip,el), &
|
||||||
ip, &
|
ip, &
|
||||||
el)
|
el)
|
||||||
|
!* RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
|
case (homogenization_RGC_label)
|
||||||
|
call homogenization_RGC_averageStressAndItsTangent( materialpoint_P(:,:,ip,el), &
|
||||||
|
materialpoint_dPdF(:,:,:,:,ip,el),&
|
||||||
|
crystallite_P(:,:,:,ip,el), &
|
||||||
|
crystallite_dPdF(:,:,:,:,:,ip,el), &
|
||||||
|
ip, &
|
||||||
|
el)
|
||||||
end select
|
end select
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
@ -530,13 +584,18 @@ subroutine homogenization_averageTemperature(&
|
||||||
use crystallite, only: crystallite_Temperature
|
use crystallite, only: crystallite_Temperature
|
||||||
|
|
||||||
use homogenization_isostrain
|
use homogenization_isostrain
|
||||||
|
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
integer(pInt), intent(in) :: ip,el
|
integer(pInt), intent(in) :: ip,el
|
||||||
|
|
||||||
select case(homogenization_type(mesh_element(3,el)))
|
select case(homogenization_type(mesh_element(3,el)))
|
||||||
|
!* isostrain
|
||||||
case (homogenization_isostrain_label)
|
case (homogenization_isostrain_label)
|
||||||
materialpoint_Temperature(ip,el) = homogenization_isostrain_averageTemperature(crystallite_Temperature(:,ip,el), ip, el)
|
materialpoint_Temperature(ip,el) = homogenization_isostrain_averageTemperature(crystallite_Temperature(:,ip,el), ip, el)
|
||||||
|
!* RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
|
case (homogenization_RGC_label)
|
||||||
|
materialpoint_Temperature(ip,el) = homogenization_RGC_averageTemperature(crystallite_Temperature(:,ip,el), ip, el)
|
||||||
end select
|
end select
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
@ -556,6 +615,7 @@ function homogenization_postResults(&
|
||||||
use mesh, only: mesh_element
|
use mesh, only: mesh_element
|
||||||
use material, only: homogenization_type
|
use material, only: homogenization_type
|
||||||
use homogenization_isostrain
|
use homogenization_isostrain
|
||||||
|
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
!* Definition of variables
|
!* Definition of variables
|
||||||
|
|
@ -564,9 +624,12 @@ function homogenization_postResults(&
|
||||||
|
|
||||||
homogenization_postResults = 0.0_pReal
|
homogenization_postResults = 0.0_pReal
|
||||||
select case (homogenization_type(mesh_element(3,el)))
|
select case (homogenization_type(mesh_element(3,el)))
|
||||||
|
!* isostrain
|
||||||
case (homogenization_isostrain_label)
|
case (homogenization_isostrain_label)
|
||||||
homogenization_postResults = homogenization_isostrain_postResults(homogenization_state(ip,el),ip,el)
|
homogenization_postResults = homogenization_isostrain_postResults(homogenization_state(ip,el),ip,el)
|
||||||
|
!* RGC homogenization added <<<updated 31.07.2009>>>
|
||||||
|
case (homogenization_RGC_label)
|
||||||
|
homogenization_postResults = homogenization_RGC_postResults(homogenization_state(ip,el),ip,el)
|
||||||
end select
|
end select
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
|
||||||
File diff suppressed because it is too large
Load Diff
|
|
@ -121,7 +121,8 @@ function homogenization_isostrain_stateInit(myInstance)
|
||||||
|
|
||||||
!* Definition of variables
|
!* Definition of variables
|
||||||
integer(pInt), intent(in) :: myInstance
|
integer(pInt), intent(in) :: myInstance
|
||||||
real(pReal), dimension(1) :: homogenization_isostrain_stateInit
|
real(pReal), dimension(homogenization_isostrain_sizeState(myInstance)) :: &
|
||||||
|
homogenization_isostrain_stateInit ! modified <<<updated 31.07.2009>>>
|
||||||
|
|
||||||
homogenization_isostrain_stateInit = 0.0_pReal
|
homogenization_isostrain_stateInit = 0.0_pReal
|
||||||
|
|
||||||
|
|
@ -227,8 +228,8 @@ subroutine homogenization_isostrain_averageStressAndItsTangent(&
|
||||||
|
|
||||||
! homID = homogenization_typeInstance(mesh_element(3,el))
|
! homID = homogenization_typeInstance(mesh_element(3,el))
|
||||||
Ngrains = homogenization_Ngrains(mesh_element(3,el))
|
Ngrains = homogenization_Ngrains(mesh_element(3,el))
|
||||||
avgP = sum(P,3)/Ngrains
|
avgP = sum(P,3)/dble(Ngrains)
|
||||||
dAvgPdAvgF = sum(dPdF,5)/Ngrains
|
dAvgPdAvgF = sum(dPdF,5)/dble(Ngrains)
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
|
|
@ -257,7 +258,7 @@ function homogenization_isostrain_averageTemperature(&
|
||||||
|
|
||||||
! homID = homogenization_typeInstance(mesh_element(3,el))
|
! homID = homogenization_typeInstance(mesh_element(3,el))
|
||||||
Ngrains = homogenization_Ngrains(mesh_element(3,el))
|
Ngrains = homogenization_Ngrains(mesh_element(3,el))
|
||||||
homogenization_isostrain_averageTemperature = sum(Temperature(1:Ngrains))/Ngrains
|
homogenization_isostrain_averageTemperature = sum(Temperature(1:Ngrains))/dble(Ngrains)
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -170,7 +170,7 @@ subroutine material_parseHomogenization(file,myPart)
|
||||||
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
|
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
|
||||||
select case(tag)
|
select case(tag)
|
||||||
case ('type')
|
case ('type')
|
||||||
homogenization_type(section) = IO_stringValue(line,positions,2)
|
homogenization_type(section) = IO_lc(IO_stringValue(line,positions,2)) ! adding: IO_lc function <<<updated 31.07.2009>>>
|
||||||
do s = 1,section
|
do s = 1,section
|
||||||
if (homogenization_type(s) == homogenization_type(section)) &
|
if (homogenization_type(s) == homogenization_type(section)) &
|
||||||
homogenization_typeInstance(section) = homogenization_typeInstance(section) + 1 ! count instances
|
homogenization_typeInstance(section) = homogenization_typeInstance(section) + 1 ! count instances
|
||||||
|
|
|
||||||
|
|
@ -455,21 +455,22 @@ endsubroutine
|
||||||
! e_ijk = -1 if odd permutation of ijk
|
! e_ijk = -1 if odd permutation of ijk
|
||||||
! e_ijk = 0 otherwise
|
! e_ijk = 0 otherwise
|
||||||
!**************************************************************************
|
!**************************************************************************
|
||||||
FUNCTION math_permut(i,j,k)
|
FUNCTION math_civita(i,j,k) ! change its name from math_permut
|
||||||
|
! to math_civita <<<updated 31.07.2009>>>
|
||||||
|
|
||||||
use prec, only: pReal, pInt
|
use prec, only: pReal, pInt
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
integer(pInt) i,j,k
|
integer(pInt) i,j,k
|
||||||
real(pReal) math_permut
|
real(pReal) math_civita
|
||||||
|
|
||||||
math_permut = 0.0_pReal
|
math_civita = 0.0_pReal
|
||||||
if (((i == 1).and.(j == 2).and.(k == 3)) .or. &
|
if (((i == 1).and.(j == 2).and.(k == 3)) .or. &
|
||||||
((i == 2).and.(j == 3).and.(k == 1)) .or. &
|
((i == 2).and.(j == 3).and.(k == 1)) .or. &
|
||||||
((i == 3).and.(j == 1).and.(k == 2))) math_permut = 1.0_pReal
|
((i == 3).and.(j == 1).and.(k == 2))) math_civita = 1.0_pReal
|
||||||
if (((i == 1).and.(j == 3).and.(k == 2)) .or. &
|
if (((i == 1).and.(j == 3).and.(k == 2)) .or. &
|
||||||
((i == 2).and.(j == 1).and.(k == 3)) .or. &
|
((i == 2).and.(j == 1).and.(k == 3)) .or. &
|
||||||
((i == 3).and.(j == 2).and.(k == 1))) math_permut = -1.0_pReal
|
((i == 3).and.(j == 2).and.(k == 1))) math_civita = -1.0_pReal
|
||||||
return
|
return
|
||||||
|
|
||||||
ENDFUNCTION
|
ENDFUNCTION
|
||||||
|
|
|
||||||
|
|
@ -49,6 +49,7 @@
|
||||||
include "constitutive.f90" ! uses prec, IO, math, lattice, mesh, debug
|
include "constitutive.f90" ! uses prec, IO, math, lattice, mesh, debug
|
||||||
include "crystallite.f90" ! uses prec, math, IO, numerics
|
include "crystallite.f90" ! uses prec, math, IO, numerics
|
||||||
include "homogenization_isostrain.f90" ! uses prec, math, IO,
|
include "homogenization_isostrain.f90" ! uses prec, math, IO,
|
||||||
|
include "homogenization_RGC.f90" ! uses prec, math, IO, numerics, mesh: added <<<updated 31.07.2009>>>
|
||||||
include "homogenization.f90" ! uses prec, math, IO, numerics
|
include "homogenization.f90" ! uses prec, math, IO, numerics
|
||||||
include "CPFEM.f90" ! uses prec, math, IO, numerics, debug, FEsolving, mesh, lattice, constitutive, crystallite
|
include "CPFEM.f90" ! uses prec, math, IO, numerics, debug, FEsolving, mesh, lattice, constitutive, crystallite
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -11,8 +11,7 @@ integer(pInt) iJacoStiffness, & ! freque
|
||||||
nHomog, & ! homogenization loop limit
|
nHomog, & ! homogenization loop limit
|
||||||
nCryst, & ! crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
|
nCryst, & ! crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
|
||||||
nState, & ! state loop limit
|
nState, & ! state loop limit
|
||||||
nStress, & ! stress loop limit
|
nStress ! stress loop limit
|
||||||
NRiterMax ! maximum number of GIA iteration
|
|
||||||
real(pReal) relevantStrain, & ! strain increment considered significant
|
real(pReal) relevantStrain, & ! strain increment considered significant
|
||||||
pert_Fg, & ! strain perturbation for FEM Jacobi
|
pert_Fg, & ! strain perturbation for FEM Jacobi
|
||||||
subStepMin, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
|
subStepMin, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
|
||||||
|
|
@ -20,10 +19,14 @@ real(pReal) relevantStrain, & ! strain
|
||||||
rTol_crystalliteTemperature, & ! relative tolerance in crystallite temperature loop
|
rTol_crystalliteTemperature, & ! relative tolerance in crystallite temperature loop
|
||||||
rTol_crystalliteStress, & ! relative tolerance in crystallite stress loop
|
rTol_crystalliteStress, & ! relative tolerance in crystallite stress loop
|
||||||
aTol_crystalliteStress, & ! absolute tolerance in crystallite stress loop
|
aTol_crystalliteStress, & ! absolute tolerance in crystallite stress loop
|
||||||
resToler, & ! relative tolerance of residual in GIA iteration
|
|
||||||
resAbsol, & ! absolute tolerance of residual in GIA iteration (corresponds to ~1 Pa)
|
|
||||||
resBound ! relative maximum value (upper bound) for GIA residual
|
|
||||||
|
|
||||||
|
!* RGC parameters: added <<<updated 31.07.2009>>>
|
||||||
|
absTol_RGC, & ! absolute tolerance of RGC residuum
|
||||||
|
relTol_RGC, & ! relative tolerance of RGC residuum
|
||||||
|
absMax_RGC, & ! absolute maximum of RGC residuum
|
||||||
|
relMax_RGC, & ! relative maximum of RGC residuum
|
||||||
|
pPert_RGC, & ! perturbation for computing RGC penalty tangent
|
||||||
|
xSmoo_RGC ! RGC penalty smoothing parameter (hyperbolic tangent)
|
||||||
|
|
||||||
CONTAINS
|
CONTAINS
|
||||||
|
|
||||||
|
|
@ -75,10 +78,14 @@ subroutine numerics_init()
|
||||||
rTol_crystalliteTemperature = 1.0e-6_pReal
|
rTol_crystalliteTemperature = 1.0e-6_pReal
|
||||||
rTol_crystalliteStress = 1.0e-6_pReal
|
rTol_crystalliteStress = 1.0e-6_pReal
|
||||||
aTol_crystalliteStress = 1.0e-8_pReal
|
aTol_crystalliteStress = 1.0e-8_pReal
|
||||||
resToler = 1.0e-4_pReal
|
|
||||||
resAbsol = 1.0e+2_pReal
|
!* RGC parameters: added <<<updated 31.07.2009>>>
|
||||||
resBound = 1.0e+1_pReal
|
absTol_RGC = 1.0e+3
|
||||||
NRiterMax = 24_pInt
|
relTol_RGC = 1.0e-3
|
||||||
|
absMax_RGC = 1.0e+9
|
||||||
|
relMax_RGC = 1.0e+2
|
||||||
|
pPert_RGC = 1.0e-8
|
||||||
|
xSmoo_RGC = 1.0e-5
|
||||||
|
|
||||||
! try to open the config file
|
! try to open the config file
|
||||||
if(IO_open_file(fileunit,numerics_configFile)) then
|
if(IO_open_file(fileunit,numerics_configFile)) then
|
||||||
|
|
@ -120,14 +127,21 @@ subroutine numerics_init()
|
||||||
rTol_crystalliteStress = IO_floatValue(line,positions,2)
|
rTol_crystalliteStress = IO_floatValue(line,positions,2)
|
||||||
case ('atol_crystallitestress')
|
case ('atol_crystallitestress')
|
||||||
aTol_crystalliteStress = IO_floatValue(line,positions,2)
|
aTol_crystalliteStress = IO_floatValue(line,positions,2)
|
||||||
case ('restoler')
|
|
||||||
resToler = IO_floatValue(line,positions,2)
|
!* RGC parameters: added <<<updated 31.07.2009>>>
|
||||||
case ('resabsol')
|
case ('atol_rgc')
|
||||||
resAbsol = IO_floatValue(line,positions,2)
|
absTol_RGC = IO_floatValue(line,positions,2)
|
||||||
case ('resbound')
|
case ('rtol_rgc')
|
||||||
resBound = IO_floatValue(line,positions,2)
|
relTol_RGC = IO_floatValue(line,positions,2)
|
||||||
case ('nritermax')
|
case ('amax_rgc')
|
||||||
NRiterMax = IO_intValue(line,positions,2)
|
absMax_RGC = IO_floatValue(line,positions,2)
|
||||||
|
case ('rmax_rgc')
|
||||||
|
relMax_RGC = IO_floatValue(line,positions,2)
|
||||||
|
case ('perturbpenalty_rgc')
|
||||||
|
pPert_RGC = IO_floatValue(line,positions,2)
|
||||||
|
case ('relevantmismatch_rgc')
|
||||||
|
xSmoo_RGC = IO_floatValue(line,positions,2)
|
||||||
|
|
||||||
endselect
|
endselect
|
||||||
enddo
|
enddo
|
||||||
100 close(fileunit)
|
100 close(fileunit)
|
||||||
|
|
@ -154,10 +168,14 @@ subroutine numerics_init()
|
||||||
write(6,'(a24,x,e8.1)') 'rTol_crystalliteTemp: ',rTol_crystalliteTemperature
|
write(6,'(a24,x,e8.1)') 'rTol_crystalliteTemp: ',rTol_crystalliteTemperature
|
||||||
write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress
|
write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress
|
||||||
write(6,'(a24,x,e8.1)') 'aTol_crystalliteStress: ',aTol_crystalliteStress
|
write(6,'(a24,x,e8.1)') 'aTol_crystalliteStress: ',aTol_crystalliteStress
|
||||||
write(6,'(a24,x,e8.1)') 'resToler: ',resToler
|
|
||||||
write(6,'(a24,x,e8.1)') 'resAbsol: ',resAbsol
|
!* RGC parameters: added <<<updated 31.07.2009>>>
|
||||||
write(6,'(a24,x,e8.1)') 'resBound: ',resBound
|
write(6,'(a24,x,e8.1)') 'aTol_RGC: ',absTol_RGC
|
||||||
write(6,'(a24,x,i8)') 'NRiterMax: ',NRiterMax
|
write(6,'(a24,x,e8.1)') 'rTol_RGC: ',relTol_RGC
|
||||||
|
write(6,'(a24,x,e8.1)') 'aMax_RGC: ',absMax_RGC
|
||||||
|
write(6,'(a24,x,e8.1)') 'rMax_RGC: ',relMax_RGC
|
||||||
|
write(6,'(a24,x,e8.1)') 'perturbPenalty_RGC: ',pPert_RGC
|
||||||
|
write(6,'(a24,x,e8.1)') 'relevantMismatch_RGC: ',xSmoo_RGC
|
||||||
write(6,*)
|
write(6,*)
|
||||||
|
|
||||||
! sanity check
|
! sanity check
|
||||||
|
|
@ -174,10 +192,14 @@ subroutine numerics_init()
|
||||||
if (rTol_crystalliteTemperature <= 0.0_pReal) call IO_error(276)
|
if (rTol_crystalliteTemperature <= 0.0_pReal) call IO_error(276)
|
||||||
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(270)
|
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(270)
|
||||||
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(271)
|
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(271)
|
||||||
if (resToler <= 0.0_pReal) call IO_error(272)
|
|
||||||
if (resAbsol <= 0.0_pReal) call IO_error(273)
|
!* RGC parameters: added <<<updated 31.07.2009>>>
|
||||||
if (resBound <= 0.0_pReal) call IO_error(274)
|
if (absTol_RGC <= 0.0_pReal) call IO_error(272)
|
||||||
if (NRiterMax < 1_pInt) call IO_error(275)
|
if (relTol_RGC <= 0.0_pReal) call IO_error(273)
|
||||||
|
if (absMax_RGC <= 0.0_pReal) call IO_error(274)
|
||||||
|
if (relMax_RGC <= 0.0_pReal) call IO_error(275)
|
||||||
|
if (pPert_RGC <= 0.0_pReal) call IO_error(276)
|
||||||
|
if (xSmoo_RGC <= 0.0_pReal) call IO_error(277)
|
||||||
|
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue