328 lines
16 KiB
Fortran
328 lines
16 KiB
Fortran
!##############################################################
|
|
MODULE CPFEM
|
|
!##############################################################
|
|
! *** CPFEM engine ***
|
|
!
|
|
use prec, only: pReal,pInt
|
|
implicit none
|
|
!
|
|
! ****************************************************************
|
|
! *** General variables for the material behaviour calculation ***
|
|
! ****************************************************************
|
|
real(pReal), dimension (:,:), allocatable :: CPFEM_Temperature
|
|
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ffn_bar
|
|
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ffn1_bar
|
|
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_PK1_bar
|
|
real(pReal), dimension (:,:,:,:,:,:),allocatable :: CPFEM_dPdF_bar
|
|
real(pReal), dimension (:,:,:), allocatable :: CPFEM_stress_bar
|
|
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jaco_bar
|
|
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jaco_knownGood
|
|
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_results
|
|
real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Lp
|
|
real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_old
|
|
real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_new
|
|
real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, CPFEM_odd_jacobian = 1e50_pReal
|
|
integer(pInt) :: CPFEM_Nresults = 4_pInt ! three Euler angles plus volume fraction
|
|
logical :: CPFEM_init_done = .false. ! remember whether init has been done already
|
|
logical :: CPFEM_calc_done = .false. ! remember whether first IP has already calced the results
|
|
logical :: CPFEM_results_aged = .false. ! remember whether results have been aged at inc start
|
|
!
|
|
CONTAINS
|
|
!
|
|
!*********************************************************
|
|
!*** allocate the arrays defined in module CPFEM ***
|
|
!*** and initialize them ***
|
|
!*********************************************************
|
|
SUBROUTINE CPFEM_init(Temperature)
|
|
!
|
|
use prec
|
|
use math, only: math_EulertoR, math_I3, math_identity2nd
|
|
use mesh
|
|
use constitutive
|
|
!
|
|
implicit none
|
|
!
|
|
real(pReal) Temperature
|
|
integer(pInt) e,i,g
|
|
!
|
|
! *** mpie.marc parameters ***
|
|
allocate(CPFEM_Temperature (mesh_maxNips,mesh_NcpElems)) ; CPFEM_Temperature = Temperature
|
|
allocate(CPFEM_ffn_bar (3,3,mesh_maxNips,mesh_NcpElems))
|
|
forall(e=1:mesh_NcpElems,i=1:mesh_maxNips) CPFEM_ffn_bar(:,:,i,e) = math_I3
|
|
allocate(CPFEM_ffn1_bar (3,3,mesh_maxNips,mesh_NcpElems)) ; CPFEM_ffn1_bar = CPFEM_ffn_bar
|
|
allocate(CPFEM_PK1_bar (3,3,mesh_maxNips,mesh_NcpElems)) ; CPFEM_PK1_bar = 0.0_pReal
|
|
allocate(CPFEM_dPdF_bar(3,3,3,3,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dPdF_bar = 0.0_pReal
|
|
allocate(CPFEM_stress_bar(6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_stress_bar = 0.0_pReal
|
|
allocate(CPFEM_jaco_bar(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_jaco_bar = 0.0_pReal
|
|
allocate(CPFEM_jaco_knownGood(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_jaco_knownGood = 0.0_pReal
|
|
!
|
|
! *** User defined results !!! MISSING incorporate consti_Nresults ***
|
|
allocate(CPFEM_results(CPFEM_Nresults+constitutive_maxNresults,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems))
|
|
CPFEM_results = 0.0_pReal
|
|
!
|
|
! *** Plastic velocity gradient ***
|
|
allocate(CPFEM_Lp(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; CPFEM_Lp = 0.0_pReal
|
|
|
|
! *** Plastic deformation gradient at (t=t0) and (t=t1) ***
|
|
allocate(CPFEM_Fp_new(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; CPFEM_Fp_new = 0.0_pReal
|
|
allocate(CPFEM_Fp_old(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems))
|
|
forall (e=1:mesh_NcpElems,i=1:mesh_maxNips,g=1:constitutive_maxNgrains) &
|
|
CPFEM_Fp_old(:,:,g,i,e) = math_EulerToR(constitutive_EulerAngles(:,g,i,e)) ! plastic def gradient reflects init orientation
|
|
!
|
|
! *** Output to MARC output file ***
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*)
|
|
write(6,*) 'CPFEM Initialization'
|
|
write(6,*)
|
|
write(6,*) 'CPFEM_Temperature: ', shape(CPFEM_Temperature)
|
|
write(6,*) 'CPFEM_ffn_bar: ', shape(CPFEM_ffn_bar)
|
|
write(6,*) 'CPFEM_ffn1_bar: ', shape(CPFEM_ffn1_bar)
|
|
write(6,*) 'CPFEM_PK1_bar: ', shape(CPFEM_PK1_bar)
|
|
write(6,*) 'CPFEM_dPdF_bar: ', shape(CPFEM_dPdF_bar)
|
|
write(6,*) 'CPFEM_stress_bar: ', shape(CPFEM_stress_bar)
|
|
write(6,*) 'CPFEM_jaco_bar: ', shape(CPFEM_jaco_bar)
|
|
write(6,*) 'CPFEM_jaco_knownGood: ', shape(CPFEM_jaco_knownGood)
|
|
write(6,*) 'CPFEM_results: ', shape(CPFEM_results)
|
|
write(6,*) 'CPFEM_Lp: ', shape(CPFEM_Lp)
|
|
write(6,*) 'CPFEM_Fp_old: ', shape(CPFEM_Fp_old)
|
|
write(6,*) 'CPFEM_Fp_new: ', shape(CPFEM_Fp_new)
|
|
write(6,*)
|
|
call flush(6)
|
|
!$OMP END CRITICAL (write2out)
|
|
return
|
|
!
|
|
END SUBROUTINE
|
|
!
|
|
!
|
|
!***********************************************************************
|
|
!*** perform initialization at first call, update variables and ***
|
|
!*** call the actual material model ***
|
|
!
|
|
! CPFEM_mode computation mode (regular, collection, recycle)
|
|
! ffn deformation gradient for t=t0
|
|
! ffn1 deformation gradient for t=t1
|
|
! Temperature temperature
|
|
! CPFEM_dt time increment
|
|
! CPFEM_en element number
|
|
! CPFEM_in intergration point number
|
|
! CPFEM_stress stress vector in Mandel notation
|
|
! CPFEM_updateJaco flag to initiate computation of Jacobian
|
|
! CPFEM_jaco jacobian in Mandel notation
|
|
! CPFEM_ngens size of stress strain law
|
|
!***********************************************************************
|
|
SUBROUTINE CPFEM_general(CPFEM_mode, ffn, ffn1, Temperature, CPFEM_dt,&
|
|
CPFEM_en, CPFEM_in, CPFEM_stress, CPFEM_updateJaco, CPFEM_jaco, CPFEM_ngens)
|
|
! note: CPFEM_stress = Cauchy stress cs(6) and CPFEM_jaco = Consistent tangent dcs/de
|
|
!
|
|
use prec, only: pReal,pInt
|
|
use FEsolving
|
|
use debug
|
|
use math
|
|
use mesh, only: mesh_init,mesh_FEasCP, mesh_NcpElems, FE_Nips, FE_mapElemtype, mesh_element
|
|
use lattice, only: lattice_init
|
|
use constitutive, only: constitutive_init,constitutive_state_old,constitutive_state_new,material_Cslip_66
|
|
implicit none
|
|
!
|
|
integer(pInt) CPFEM_en, CPFEM_in, cp_en, CPFEM_ngens, i,j,k,l,m,n, e
|
|
real(pReal), dimension (3,3) :: ffn,ffn1,Kirchhoff_bar
|
|
real(pReal), dimension (3,3,3,3) :: H_bar, H_bar_sym
|
|
real(pReal), dimension(CPFEM_ngens) :: CPFEM_stress
|
|
real(pReal), dimension(CPFEM_ngens,CPFEM_ngens) :: CPFEM_jaco, odd_jaco
|
|
real(pReal) Temperature,CPFEM_dt,J_inverse
|
|
integer(pInt) CPFEM_mode ! 1: regular computation with aged results&
|
|
! 2: regular computation&
|
|
! 3: collection of FEM data&
|
|
! 4: recycling of former results (MARC speciality)&
|
|
! 5: record tangent from former converged inc&
|
|
! 6: restore tangent from former converged inc
|
|
logical CPFEM_updateJaco
|
|
!
|
|
if (.not. CPFEM_init_done) then ! initialization step (three dimensional stress state check missing?)
|
|
call math_init()
|
|
call mesh_init()
|
|
call lattice_init()
|
|
call constitutive_init()
|
|
call CPFEM_init(Temperature)
|
|
CPFEM_init_done = .true.
|
|
endif
|
|
!
|
|
cp_en = mesh_FEasCP('elem',CPFEM_en)
|
|
if (cp_en == 1 .and. CPFEM_in == 1) &
|
|
write(6,'(a10,1x,f8.4,1x,a10,1x,i4,1x,a10,1x,i3,1x,a10,1x,i2,x,a10,1x,i2)') &
|
|
'theTime',theTime,'theInc',theInc,'theCycle',theCycle,'theLovl',theLovl,&
|
|
'mode',CPFEM_mode
|
|
|
|
if (CPFEM_mode /= 1) CPFEM_results_aged = .false.
|
|
|
|
select case (CPFEM_mode)
|
|
|
|
case (2,1) ! *** regular computation (with aging of results) ***
|
|
if (CPFEM_mode == 1 .and. &
|
|
.not. CPFEM_results_aged) then ! age results at start of new increment
|
|
CPFEM_Fp_old = CPFEM_Fp_new
|
|
constitutive_state_old = constitutive_state_new
|
|
CPFEM_results_aged = .true. ! aging is done
|
|
write (6,*) ')))))))))))))) results aged (((((((((((((((',cp_en,CPFEM_in
|
|
endif
|
|
|
|
CPFEM_Temperature(CPFEM_in,cp_en) = Temperature ! store temperature
|
|
CPFEM_ffn_bar(:,:,CPFEM_in,cp_en) = ffn ! store def grad for start of inc
|
|
CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en) = ffn1 ! store def grad for end of inc
|
|
debugger = (cp_en == 1160 .and. CPFEM_in == 6) ! switch on debugging
|
|
call CPFEM_MaterialPoint(CPFEM_updateJaco, CPFEM_dt, CPFEM_in, cp_en) ! call for result at this IP
|
|
|
|
! translate from P and dP/dF to CS and dCS/dE
|
|
|
|
Kirchhoff_bar = math_mul33x33(CPFEM_PK1_bar(:,:,CPFEM_in, cp_en),transpose(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en)))
|
|
J_inverse = 1.0_pReal/math_det3x3(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en))
|
|
CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en) = math_Mandel33to6(J_inverse*Kirchhoff_bar)
|
|
|
|
H_bar = 0.0_pReal
|
|
forall(i=1:3,j=1:3,k=1:3,l=1:3,m=1:3,n=1:3) &
|
|
H_bar(i,j,k,l) = H_bar(i,j,k,l) + &
|
|
CPFEM_ffn1_bar(j,m,CPFEM_in,cp_en) * &
|
|
CPFEM_ffn1_bar(l,n,CPFEM_in,cp_en) * &
|
|
CPFEM_dPdF_bar(i,m,k,n,CPFEM_in,cp_en) - &
|
|
math_I3(j,l)*CPFEM_ffn1_bar(i,m,CPFEM_in,cp_en)*CPFEM_PK1_bar(k,m,CPFEM_in,cp_en) + &
|
|
0.5_pReal*(math_I3(i,k)*Kirchhoff_bar(j,l) + math_I3(j,l)*Kirchhoff_bar(i,k) + &
|
|
math_I3(i,l)*Kirchhoff_bar(j,k) + math_I3(j,k)*Kirchhoff_bar(i,l))
|
|
forall(i=1:3,j=1:3,k=1:3,l=1:3) &
|
|
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))
|
|
CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en) = math_Mandel3333to66(J_inverse*H_bar)
|
|
|
|
case (3) ! *** collect and return odd result ***
|
|
CPFEM_Temperature(CPFEM_in,cp_en) = Temperature
|
|
CPFEM_ffn_bar(:,:,CPFEM_in,cp_en) = ffn
|
|
CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en) = ffn1
|
|
CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en) = CPFEM_odd_stress
|
|
CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en) = CPFEM_odd_jacobian*math_identity2nd(CPFEM_ngens)
|
|
CPFEM_calc_done = .false.
|
|
|
|
case (4) ! *** do nothing since we can recycle the former results (MARC specialty) ***
|
|
case (5) ! *** record consistent tangent at beginning of new increment ***
|
|
CPFEM_jaco_knownGood = CPFEM_jaco_bar
|
|
case (6) ! *** restore consistent tangent after cutback ***
|
|
CPFEM_jaco_bar = CPFEM_jaco_knownGood
|
|
end select
|
|
!
|
|
! return the local stress and the jacobian from storage
|
|
CPFEM_stress(1:CPFEM_ngens) = CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en)
|
|
CPFEM_jaco(1:CPFEM_ngens,1:CPFEM_ngens) = CPFEM_jaco_bar(1:CPFEM_ngens,1:CPFEM_ngens,CPFEM_in,cp_en)
|
|
if (debugger) write (6,'(a,/,6(6(f9.3,x)/))') 'stiffness / GPa',CPFEM_jaco(1:CPFEM_ngens,:)/1e9_pReal
|
|
|
|
|
|
!
|
|
return
|
|
!
|
|
END SUBROUTINE
|
|
!
|
|
!
|
|
!**********************************************************
|
|
!*** calculate the material point behaviour ***
|
|
!**********************************************************
|
|
SUBROUTINE CPFEM_MaterialPoint(&
|
|
updateJaco,& ! flag to initiate Jacobian updating
|
|
CPFEM_dt,& ! Time increment (dt)
|
|
CPFEM_in,& ! Integration point number
|
|
cp_en) ! Element number
|
|
!
|
|
use prec
|
|
use FEsolving, only: theCycle
|
|
use debug
|
|
use math, only: math_pDecomposition,math_RtoEuler,inDeg,math_I3,math_invert3x3,math_permut,math_invert,math_delta
|
|
use IO, only: IO_error
|
|
use mesh, only: mesh_element
|
|
use crystallite
|
|
use constitutive
|
|
implicit none
|
|
!
|
|
character(len=128) msg
|
|
integer(pInt) cp_en,CPFEM_in,grain
|
|
logical updateJaco,error
|
|
real(pReal) CPFEM_dt,volfrac
|
|
real(pReal), dimension(3,3) :: U,R,Fe1
|
|
real(pReal), dimension(3,3) :: PK1
|
|
real(pReal), dimension(3,3,3,3) :: dPdF,dPdF_bar_old
|
|
!
|
|
CPFEM_PK1_bar(:,:,CPFEM_in,cp_en) = 0.0_pReal ! zero out average first PK stress
|
|
if (updateJaco) then
|
|
dPdF_bar_old = CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) ! remember former average consistent tangent
|
|
CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) = 0.0_pReal ! zero out avg consistent tangent for later assembly
|
|
endif
|
|
|
|
do grain = 1,texture_Ngrains(mesh_element(4,cp_en))
|
|
dPdF = dPdF_bar_old ! preguess consistent tangent of grain with avg
|
|
|
|
if (debugger) then
|
|
!$OMP CRITICAL (write2out)
|
|
write (6,*) 'single crystallite integrating.',cp_en,CPFEM_in,grain
|
|
write (6,'(a,/,3(3(f12.7,x)/))') 'Fg',CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en)
|
|
write (6,'(a,/,3(3(f12.7,x)/))') 'Lp (guess)',CPFEM_Lp(1:3,:,grain,CPFEM_in,cp_en)
|
|
write (6,'(a,/,3(3(f12.7,x)/))') 'Fp (old)',CPFEM_Fp_old(1:3,:,grain,CPFEM_in,cp_en)
|
|
write (6,'(a,/,3(4(f9.3,x)/))') 'state (old) / MPa',constitutive_state_old(:,grain,CPFEM_in,cp_en)/1e6_pReal
|
|
write (6,'(a,/,3(4(f9.3,x)/))') 'state (new) / MPa',constitutive_state_new(:,grain,CPFEM_in,cp_en)/1e6_pReal
|
|
write (6,*)
|
|
!$OMP END CRITICAL (write2out)
|
|
endif
|
|
|
|
call SingleCrystallite(msg,PK1,dPdF,&
|
|
CPFEM_results(CPFEM_Nresults+1:CPFEM_Nresults+constitutive_Nresults(grain,CPFEM_in,cp_en),&
|
|
grain,CPFEM_in,cp_en),&
|
|
CPFEM_Lp(:,:,grain,CPFEM_in,cp_en),&
|
|
CPFEM_Fp_new(:,:,grain,CPFEM_in,cp_en),Fe1,constitutive_state_new(:,grain,CPFEM_in,cp_en),& ! output up to here
|
|
CPFEM_dt,cp_en,CPFEM_in,grain,updateJaco,&
|
|
CPFEM_Temperature(CPFEM_in,cp_en),&
|
|
CPFEM_ffn1_bar(:,:,CPFEM_in,cp_en),CPFEM_ffn_bar(:,:,CPFEM_in,cp_en),&
|
|
CPFEM_Fp_old(:,:,grain,CPFEM_in,cp_en),constitutive_state_old(:,grain,CPFEM_in,cp_en))
|
|
|
|
if (msg /= 'ok') then ! solution not reached --> exit
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*) 'grain loop failed to converge @ EL:',cp_en,' IP:',CPFEM_in
|
|
!$OMP END CRITICAL (write2out)
|
|
call IO_error(600)
|
|
return
|
|
endif
|
|
|
|
if (debugger) then
|
|
!$OMP CRITICAL (write2out)
|
|
write (6,*) msg
|
|
write (6,*) 'single crystallite convergence reached.',cp_en,CPFEM_in,grain
|
|
write (6,'(a,/,3(3(f12.7,x)/))') 'Lp',CPFEM_Lp(1:3,:,grain,CPFEM_in,cp_en)
|
|
write (6,'(a,/,3(3(f12.7,x)/))') 'Fp (new)',CPFEM_Fp_new(1:3,:,grain,CPFEM_in,cp_en)
|
|
write (6,'(a,/,3(4(f9.3,x)/))') 'state (new)/ MPa',constitutive_state_new(:,grain,CPFEM_in,cp_en)/1e6_pReal
|
|
write (6,'(a,/,3(3(f9.3,x)/))') 'P / MPa',PK1/1e6_pReal
|
|
write (6,'(a,/,9(9(f9.3,x)/))') 'dP/dF / GPa',dPdF/1e9_pReal
|
|
!$OMP END CRITICAL (write2out)
|
|
endif
|
|
|
|
volfrac = constitutive_matVolFrac(grain,CPFEM_in,cp_en)*constitutive_texVolFrac(grain,CPFEM_in,cp_en)
|
|
CPFEM_PK1_bar(:,:,CPFEM_in,cp_en) = CPFEM_PK1_bar(:,:,CPFEM_in,cp_en) + volfrac*PK1
|
|
if (updateJaco) CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) = &
|
|
CPFEM_dPdF_bar(:,:,:,:,CPFEM_in,cp_en) + volfrac*dPdF ! add up crystallite stiffnesses
|
|
! (may have "holes" corresponding
|
|
! to former avg tangent)
|
|
!
|
|
! update results plotted in MENTAT
|
|
call math_pDecomposition(Fe1,U,R,error) ! polar decomposition
|
|
if (error) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*) 'polar decomposition of', Fe1
|
|
write(6,*) 'Grain: ',grain
|
|
write(6,*) 'Integration point: ',CPFEM_in
|
|
write(6,*) 'Element: ',mesh_element(1,cp_en)
|
|
!$OMP END CRITICAL (write2out)
|
|
call IO_error(650)
|
|
return
|
|
endif
|
|
CPFEM_results(1:3,grain,CPFEM_in,cp_en) = math_RtoEuler(transpose(R))*inDeg ! orientation
|
|
CPFEM_results(4 ,grain,CPFEM_in,cp_en) = volfrac ! volume fraction of orientation
|
|
enddo ! grain
|
|
!
|
|
return
|
|
!
|
|
END SUBROUTINE
|
|
!
|
|
END MODULE
|
|
!##############################################################
|
|
|