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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 2009-07-31 12:02:20 +00:00
parent f0729a2e52
commit 360fb069ba
11 changed files with 1502 additions and 1261 deletions
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code/CPFEM_GIA8.f90
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@ -1,893 +0,0 @@
!##############################################################
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_Fp_old
real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_new
real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, CPFEM_odd_jacobian = 1e50_pReal
integer(pInt) :: CPFEM_Nresults = 4_pInt ! three Euler angles plus volume fraction
logical :: CPFEM_init_done = .false. ! remember if init has been done already
logical :: CPFEM_calc_done = .false. ! remember if first IP has already calced the results
!
real(pReal), dimension (:,:,:,:), allocatable :: GIA_rVect_new ! boundary relaxation vectors
real(pReal), dimension (:,:,:,:), allocatable :: GIA_rVect_old ! boundary relaxation vectors
real(pReal), dimension (:,:), allocatable :: GIA_bNorm ! grain boundary normals
!
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,b
!
! *** 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 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
!
allocate(GIA_rVect_new(3,12,mesh_maxNips,mesh_NcpElems)) ; GIA_rVect_new = 0.0_pReal
allocate(GIA_rVect_old(3,12,mesh_maxNips,mesh_NcpElems)) ; GIA_rVect_old = 0.0_pReal
allocate(GIA_bNorm(3,12)) ; GIA_bNorm = 0.0_pReal
do b = 1,4
GIA_bNorm(1,b) = 1.0_pReal
GIA_bNorm(2,b+4) = 1.0_pReal
GIA_bNorm(3,b+8) = 1.0_pReal
enddo
!
! *** Output to MARC output file ***
!$OMP CRITICAL (write2out)
write(6,*)
write(6,*) 'CPFEM Initialization'
write(6,*)
write(6,*) 'CPFEM_Temperature: ', shape(CPFEM_Temperature)
write(6,*) 'CPFEM_ffn_bar: ', shape(CPFEM_ffn_bar)
write(6,*) 'CPFEM_ffn1_bar: ', shape(CPFEM_ffn1_bar)
write(6,*) 'CPFEM_PK1_bar: ', shape(CPFEM_PK1_bar)
write(6,*) 'CPFEM_dPdF_bar: ', shape(CPFEM_dPdF_bar)
write(6,*) 'CPFEM_stress_bar: ', shape(CPFEM_stress_bar)
write(6,*) 'CPFEM_jaco_bar: ', shape(CPFEM_jaco_bar)
write(6,*) 'CPFEM_jaco_knownGood: ', shape(CPFEM_jaco_knownGood)
write(6,*) 'CPFEM_results: ', shape(CPFEM_results)
write(6,*) 'CPFEM_Fp_old: ', shape(CPFEM_Fp_old)
write(6,*) 'CPFEM_Fp_new: ', shape(CPFEM_Fp_new)
!
write(6,*) 'GIA_rVect_new: ', shape(GIA_rVect_new)
write(6,*) 'GIA_rVect_old: ', shape(GIA_rVect_old)
write(6,*) 'GIA_bNorm: ', shape(GIA_bNorm)
write(6,*)
call flush(6)
!$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
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) then
!$OMP CRITICAL (write2out)
write(6,'(a6,x,i4,x,a4,x,i4,x,a10,x,f8.4,x,a10,x,i2,x,a10,x,i2,x,a10,x,i2,x,a10,x,i2)') &
'elem',cp_en,'IP',CPFEM_in,&
'theTime',theTime,'theInc',theInc,'theCycle',theCycle,'theLovl',theLovl,&
'mode',CPFEM_mode
!$OMP END CRITICAL (write2out)
endif
!
select case (CPFEM_mode)
case (2,1) ! regular computation (with aging of results)
if (.not. CPFEM_calc_done) then ! puuh, me needs doing all the work...
!$OMP CRITICAL (write2out)
write (6,*) 'puuh me needs doing all the work', cp_en
!$OMP END CRITICAL (write2out)
if (CPFEM_mode == 1) then ! age results at start of new increment
CPFEM_Fp_old = CPFEM_Fp_new
constitutive_state_old = constitutive_state_new
GIA_rVect_old = GIA_rVect_new
!$OMP CRITICAL (write2out)
write (6,*) '#### aged results'
!$OMP END CRITICAL (write2out)
endif
debug_cutbackDistribution = 0_pInt ! initialize debugging data
debug_InnerLoopDistribution = 0_pInt
debug_OuterLoopDistribution = 0_pInt
!
do e=1,mesh_NcpElems ! ## this shall be done in a parallel loop in the future ##
do i=1,FE_Nips(mesh_element(2,e)) ! iterate over all IPs of this element's type
debugger = (e==1 .and. i==1) ! switch on debugging for first IP in first element
call CPFEM_MaterialPoint(CPFEM_updateJaco, CPFEM_dt, i, e)
enddo
enddo
call debug_info() ! output of debugging/performance statistics
CPFEM_calc_done = .true. ! now calc is done
endif
! translate from P and dP/dF to CS and dCS/dE
!!$OMP CRITICAL (evilmatmul)
Kirchhoff_bar = math_mul33x33(CPFEM_PK1_bar(:,:,CPFEM_in, cp_en),transpose(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en)))
!!$OMP END CRITICAL (evilmatmul)
J_inverse = 1.0_pReal/math_det3x3(CPFEM_ffn1_bar(:,:,CPFEM_in, cp_en))
CPFEM_stress_bar(1:CPFEM_ngens,CPFEM_in,cp_en) = math_Mandel33to6(J_inverse*Kirchhoff_bar)
!
H_bar = 0.0_pReal
forall(i=1:3,j=1:3,k=1:3,l=1:3,m=1:3,n=1:3) &
H_bar(i,j,k,l) = H_bar(i,j,k,l) + &
(CPFEM_ffn1_bar(j,m,CPFEM_in,cp_en)*CPFEM_ffn1_bar(l,n,CPFEM_in,cp_en)*CPFEM_dPdF_bar(i,m,k,n,CPFEM_in,cp_en) - &
math_I3(j,l)*CPFEM_ffn1_bar(i,m,CPFEM_in,cp_en)*CPFEM_PK1_bar(k,m,CPFEM_in,cp_en)) + &
0.5_pReal*(math_I3(i,k)*Kirchhoff_bar(j,l) + math_I3(j,l)*Kirchhoff_bar(i,k) + &
math_I3(i,l)*Kirchhoff_bar(j,k) + math_I3(j,k)*Kirchhoff_bar(i,l))
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 (cp_en == 1 .and. CPFEM_in == 1) write (6,*) 'stress',CPFEM_stress
! if (cp_en == 1 .and. CPFEM_in == 1 .and. CPFEM_updateJaco) write (6,*) 'stiffness',CPFEM_jaco
! if (cp_en == 1 .and. CPFEM_in == 1) write (6,*) 'vector',GIA_rVect_new(:,:,1,1)
!
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,max_cutbacks,i,j,k,l,m,n,iBoun,NRiter,dummy,ii,jj,kk,ll,ip,jp
logical updateJaco,error,NRconvergent,failed
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
View File

@ -869,14 +869,21 @@ endfunction
msg = 'Non-positive relative tolerance for stress'
case (271)
msg = 'Non-positive absolute tolerance for stress'
!* Error messages related to RGC numerical parameters <<<updated 31.07.2009>>>
case (272)
msg = 'Non-positive relative tolerance of residual in GIA iteration'
msg = 'Non-positive relative tolerance of residual in RGC'
case (273)
msg = 'Non-positive absolute tolerance of residual in GIA iteration'
msg = 'Non-positive absolute tolerance of residual in RGC'
case (274)
msg = 'Non-positive relative maximum value (upper bound) for GIA residual'
msg = 'Non-positive relative maximum of residual in RGC'
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)
msg = 'This material can only be used with elements with three direct stress components'
case (500)
@ -887,8 +894,6 @@ endfunction
msg = 'Stress loop not converged'
case (700)
msg = 'Singular matrix in stress iteration'
case (800)
msg = 'RGC requires 8 grains per IP (bonehead, you!) -- but now outdated'
case default
msg = 'Unknown error number...'
end select

31
code/crystallite.f90
View File

@ -410,7 +410,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
NiterationState = 0_pInt
do while ( any( crystallite_requested(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
do while ( any( crystallite_requested(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
.and. crystallite_onTrack(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
.and. .not. crystallite_converged(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) ) &
.and. NiterationState < nState) ! convergence loop for crystallite
@ -451,12 +451,12 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
debugger = (e == 1 .and. i == 1 .and. g == 1)
if ( crystallite_requested(g,i,e) &
if ( crystallite_requested(g,i,e) &
.and. crystallite_onTrack(g,i,e) &
.and. .not. crystallite_converged(g,i,e)) then ! all undone crystallites
crystallite_converged(g,i,e) = (crystallite_updateState(g,i,e) .and. &
crystallite_updateTemperature(g,i,e))
if (debugger) write (6,*) g,i,e,'converged after updState',crystallite_converged(g,i,e)
crystallite_converged(g,i,e) = crystallite_updateState(g,i,e) .and. &
crystallite_updateTemperature(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
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(NiterationState) = debug_StateLoopDistribution(NiterationState) + 1
@ -653,10 +653,12 @@ endsubroutine
! update the microstructure
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
crystallite_updateState = maxval(abs(residuum/constitutive_state(g,i,e)%p(1:mySize)), &
constitutive_state(g,i,e)%p(1:mySize) /= 0.0_pReal) < rTol_crystalliteState
! setting flag to true if state is below relative tolerance, otherwise set it to false <<<updated 31.07.2009>>>
crystallite_updateState = all(constitutive_state(g,i,e)%p(1:mySize) == 0.0_pReal .or. &
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
endfunction
@ -697,7 +699,7 @@ endsubroutine
tickrate, &
maxticks
! calculate the residuum
! calculate the residuum
call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
residuum = crystallite_Temperature(g,i,e) - crystallite_subTemperature0(g,i,e) - &
crystallite_subdt(g,i,e) * constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e),crystallite_Temperature(g,i,e),g,i,e)
@ -718,12 +720,9 @@ endsubroutine
! update the microstructure
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
if (crystallite_Temperature(g,i,e) /= 0.0_pReal) then
crystallite_updateTemperature = abs(residuum/crystallite_Temperature(g,i,e)) < rTol_crystalliteTemperature
else
crystallite_updateTemperature = .true.
endif
! setting flag to true if residuum is below relative tolerance (or zero Kelvin), otherwise set it to false <<<updated 31.07.2009>>>
crystallite_updateTemperature = crystallite_Temperature(g,i,e) == 0.0_pReal .or. &
abs(residuum) < rTol_crystalliteTemperature*crystallite_Temperature(g,i,e)
return

22
code/debug.f90
View File

@ -9,6 +9,7 @@
integer(pInt), dimension(:), allocatable :: debug_StateLoopDistribution
integer(pInt), dimension(:), allocatable :: debug_StiffnessStateLoopDistribution
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_cumDotStateTicks = 0_pInt
integer(pLongInt) :: debug_cumDotTemperatureTicks = 0_pInt
@ -25,7 +26,8 @@ subroutine debug_init()
use prec, only: pInt
use numerics, only: nStress, &
nState, &
nCryst
nCryst, &
nHomog ! added <<<updated 31.07.2009>>>
implicit none
write(6,*)
@ -36,6 +38,7 @@ subroutine debug_init()
allocate(debug_StateLoopDistribution(nState)) ; debug_StateLoopDistribution = 0_pInt
allocate(debug_StiffnessStateLoopDistribution(nState)) ; debug_StiffnessStateLoopDistribution = 0_pInt
allocate(debug_CrystalliteLoopDistribution(nCryst)) ; debug_CrystalliteLoopDistribution = 0_pInt
allocate(debug_MaterialpointLoopDistribution(nhomog)) ; debug_MaterialpointLoopDistribution = 0_pInt ! added <<<updated 31.07.2009>>>
endsubroutine
!********************************************************************
@ -50,6 +53,7 @@ subroutine debug_reset()
debug_StateLoopDistribution = 0_pInt
debug_StiffnessStateLoopDistribution = 0_pInt
debug_CrystalliteLoopDistribution = 0_pInt
debug_MaterialpointLoopDistribution = 0_pInt ! added <<<updated 31.07.2009>>>
debug_cumLpTicks = 0_pInt
debug_cumDotStateTicks = 0_pInt
debug_cumDotTemperatureTicks = 0_pInt
@ -67,7 +71,8 @@ endsubroutine
use prec
use numerics, only: nStress, &
nState, &
nCryst
nCryst, &
nHomog ! added <<<updated 31.07.2009>>>
implicit none
integer(pInt) i,integral
@ -145,6 +150,19 @@ endsubroutine
write(6,'(a15,i10,i10)') ' total',integral,sum(debug_CrystalliteLoopDistribution)
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
END MODULE debug

83
code/homogenization.f90
View File

@ -60,15 +60,16 @@ subroutine homogenization_init(Temperature)
use constitutive, only: constitutive_maxSizePostResults
use crystallite, only: crystallite_Nresults
use homogenization_isostrain
! use homogenization_RGC
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
real(pReal) Temperature
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
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)
@ -101,6 +102,7 @@ subroutine homogenization_init(Temperature)
myInstance = homogenization_typeInstance(mesh_element(3,e))
do i = 1,FE_Nips(mesh_element(2,e)) ! loop over IPs
select case(homogenization_type(mesh_element(3,e)))
!* isostrain
case (homogenization_isostrain_label)
if (homogenization_isostrain_sizeState(myInstance) > 0_pInt) then
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)
endif
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
call IO_error(201,ext_msg=homogenization_type(mesh_element(3,e))) ! unknown type 201 is homogenization!
end select
@ -198,6 +210,7 @@ subroutine materialpoint_stressAndItsTangent(&
crystallite_dt, &
crystallite_requested, &
crystallite_stressAndItsTangent
use debug, only: debug_MaterialpointLoopdistribution ! added <<<updated 31.07.2009>>>
implicit none
@ -210,11 +223,11 @@ subroutine materialpoint_stressAndItsTangent(&
write (6,*)
write (6,*) 'Material Point start'
write (6,'(a,/,(f12.7,x))') 'Temp0 of 8 1' ,materialpoint_Temperature(8,1)
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)/))') 'F of 8 1',materialpoint_F(1:3,:,8,1)
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)/))') 'Lp0 of 1 8 1',crystallite_Lp0(1:3,:,1,8,1)
write (6,'(a,/,(f12.7,x))') 'Temp0 of 1 1' ,materialpoint_Temperature(1,1)
write (6,'(a,/,3(3(f12.7,x)/))') 'F0 of 1 1',materialpoint_F0(1:3,:,1,1)
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 1 1',crystallite_Fp0(1:3,:,1,1,1)
write (6,'(a,/,3(3(f12.7,x)/))') 'Lp0 of 1 1 1',crystallite_Lp0(1:3,:,1,1,1)
!$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
@ -302,6 +315,12 @@ subroutine materialpoint_stressAndItsTangent(&
enddo
!$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 ------
homogenization_Niteration = 0_pInt
@ -350,6 +369,9 @@ subroutine materialpoint_stressAndItsTangent(&
.not. materialpoint_doneAndHappy(1,i,e)) then
materialpoint_doneAndHappy(:,i,e) = homogenization_updateState(i,e)
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
enddo
enddo
@ -434,6 +456,7 @@ subroutine homogenization_partitionDeformation(&
use material, only: homogenization_type, homogenization_maxNgrains
use crystallite, only: crystallite_partionedF0,crystallite_partionedF
use homogenization_isostrain
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
implicit none
@ -441,12 +464,21 @@ subroutine homogenization_partitionDeformation(&
select case(homogenization_type(mesh_element(3,el)))
case (homogenization_isostrain_label)
!* isostrain
call homogenization_isostrain_partitionDeformation(crystallite_partionedF(:,:,:,ip,el), &
crystallite_partionedF0(:,:,:,ip,el),&
materialpoint_subF(:,:,ip,el),&
homogenization_state(ip,el), &
ip, &
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
endsubroutine
@ -463,21 +495,33 @@ function homogenization_updateState(&
use prec, only: pReal,pInt
use mesh, only: mesh_element
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_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
implicit none
integer(pInt), intent(in) :: ip,el
logical, dimension(2) :: homogenization_updateState
select case(homogenization_type(mesh_element(3,el)))
!* isostrain
case (homogenization_isostrain_label)
homogenization_updateState = homogenization_isostrain_updateState( homogenization_state(ip,el), &
crystallite_P(:,:,:,ip,el), &
crystallite_dPdF(:,:,:,:,:,ip,el), &
ip, &
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
return
@ -497,12 +541,14 @@ subroutine homogenization_averageStressAndItsTangent(&
use material, only: homogenization_type, homogenization_maxNgrains
use crystallite, only: crystallite_P,crystallite_dPdF
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
use homogenization_isostrain
implicit none
integer(pInt), intent(in) :: ip,el
select case(homogenization_type(mesh_element(3,el)))
!* isostrain
case (homogenization_isostrain_label)
call homogenization_isostrain_averageStressAndItsTangent( materialpoint_P(:,:,ip,el), &
materialpoint_dPdF(:,:,:,:,ip,el),&
@ -510,6 +556,14 @@ subroutine homogenization_averageStressAndItsTangent(&
crystallite_dPdF(:,:,:,:,:,ip,el), &
ip, &
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
return
@ -530,13 +584,18 @@ subroutine homogenization_averageTemperature(&
use crystallite, only: crystallite_Temperature
use homogenization_isostrain
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
implicit none
integer(pInt), intent(in) :: ip,el
select case(homogenization_type(mesh_element(3,el)))
!* isostrain
case (homogenization_isostrain_label)
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
return
@ -556,6 +615,7 @@ function homogenization_postResults(&
use mesh, only: mesh_element
use material, only: homogenization_type
use homogenization_isostrain
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
implicit none
!* Definition of variables
@ -564,13 +624,16 @@ function homogenization_postResults(&
homogenization_postResults = 0.0_pReal
select case (homogenization_type(mesh_element(3,el)))
!* isostrain
case (homogenization_isostrain_label)
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
return
endfunction
END MODULE
END MODULE

1024
code/homogenization_RGC.f90 Normal file
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File diff suppressed because it is too large Load Diff

553
code/homogenization_isostrain.f90
View File

@ -1,239 +1,240 @@
!*****************************************************
!* Module: HOMOGENIZATION_ISOSTRAIN *
!*****************************************************
!* contains: *
!*****************************************************
! [isostrain]
! type isostrain
! Ngrains 6
! (output) Ngrains
MODULE homogenization_isostrain
!*** Include other modules ***
use prec, only: pReal,pInt
implicit none
character (len=*), parameter :: homogenization_isostrain_label = 'isostrain'
integer(pInt), dimension(:), allocatable :: homogenization_isostrain_sizeState, &
homogenization_isostrain_sizePostResults, &
homogenization_isostrain_Ngrains
character(len=64), dimension(:,:), allocatable :: homogenization_isostrain_output
CONTAINS
!****************************************
!* - homogenization_isostrain_init
!* - homogenization_isostrain_stateInit
!* - homogenization_isostrain_deformationPartititon
!* - homogenization_isostrain_stateUpdate
!* - homogenization_isostrain_averageStressAndItsTangent
!* - homogenization_isostrain_postResults
!****************************************
!**************************************
!* Module initialization *
!**************************************
subroutine homogenization_isostrain_init(&
file & ! file pointer to material configuration
)
use prec, only: pInt, pReal
use math, only: math_Mandel3333to66, math_Voigt66to3333
use IO
use material
integer(pInt), intent(in) :: file
integer(pInt), parameter :: maxNchunks = 2
integer(pInt), dimension(1+2*maxNchunks) :: positions
integer(pInt) section, maxNinstance, i,j,k,l, output
character(len=64) tag
character(len=1024) line
maxNinstance = count(homogenization_type == homogenization_isostrain_label)
if (maxNinstance == 0) return
allocate(homogenization_isostrain_sizeState(maxNinstance)) ; homogenization_isostrain_sizeState = 0_pInt
allocate(homogenization_isostrain_sizePostResults(maxNinstance)); homogenization_isostrain_sizePostResults = 0_pInt
allocate(homogenization_isostrain_Ngrains(maxNinstance)); homogenization_isostrain_Ngrains = 0_pInt
allocate(homogenization_isostrain_output(maxval(homogenization_Noutput), &
maxNinstance)) ; homogenization_isostrain_output = ''
rewind(file)
line = ''
section = 0
do while (IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization) ! wind forward to <homogenization>
read(file,'(a1024)',END=100) line
enddo
do ! read thru sections of phase part
read(file,'(a1024)',END=100) line
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1
output = 0 ! reset output counter
endif
if (section > 0 .and. homogenization_type(section) == homogenization_isostrain_label) then ! one of my sections
i = homogenization_typeInstance(section) ! which instance of my type is present homogenization
positions = IO_stringPos(line,maxNchunks)
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
select case(tag)
case ('(output)')
output = output + 1
homogenization_isostrain_output(output,i) = IO_lc(IO_stringValue(line,positions,2))
case ('ngrains')
homogenization_isostrain_Ngrains(i) = IO_intValue(line,positions,2)
end select
endif
enddo
100 do i = 1,maxNinstance ! sanity checks
enddo
do i = 1,maxNinstance
homogenization_isostrain_sizeState(i) = 0_pInt
do j = 1,maxval(homogenization_Noutput)
select case(homogenization_isostrain_output(j,i))
case('ngrains')
homogenization_isostrain_sizePostResults(i) = &
homogenization_isostrain_sizePostResults(i) + 1
end select
enddo
enddo
return
endsubroutine
!*********************************************************************
!* initial homogenization state *
!*********************************************************************
function homogenization_isostrain_stateInit(myInstance)
use prec, only: pReal,pInt
implicit none
!* Definition of variables
integer(pInt), intent(in) :: myInstance
real(pReal), dimension(1) :: homogenization_isostrain_stateInit
homogenization_isostrain_stateInit = 0.0_pReal
return
endfunction
!********************************************************************
! partition material point def grad onto constituents
!********************************************************************
subroutine homogenization_isostrain_partitionDeformation(&
F, & ! partioned def grad per grain
!
F0, & ! initial partioned def grad per grain
avgF, & ! my average def grad
state, & ! my state
ip, & ! my integration point
el & ! my element
)
use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains,homogenization_Ngrains
implicit none
!* Definition of variables
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: F0
real(pReal), dimension (3,3), intent(in) :: avgF
type(p_vec), intent(in) :: state
integer(pInt), intent(in) :: ip,el
integer(pInt) homID, i
! homID = homogenization_typeInstance(mesh_element(3,el))
forall (i = 1:homogenization_Ngrains(mesh_element(3,el))) &
F(:,:,i) = avgF
return
endsubroutine
!********************************************************************
! update the internal state of the homogenization scheme
! and tell whether "done" and "happy" with result
!********************************************************************
function homogenization_isostrain_updateState(&
state, & ! my state
!
P, & ! array of current grain stresses
dPdF, & ! array of current grain stiffnesses
ip, & ! my integration point
el & ! my element
)
use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains
implicit none
!* Definition of variables
type(p_vec), intent(inout) :: state
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF
integer(pInt), intent(in) :: ip,el
! integer(pInt) homID
logical, dimension(2) :: homogenization_isostrain_updateState
! homID = homogenization_typeInstance(mesh_element(3,el))
homogenization_isostrain_updateState = .true. ! homogenization at material point converged (done and happy)
return
endfunction
!********************************************************************
! derive average stress and stiffness from constituent quantities
!********************************************************************
subroutine homogenization_isostrain_averageStressAndItsTangent(&
avgP, & ! average stress at material point
dAvgPdAvgF, & ! average stiffness at material point
!
P, & ! array of current grain stresses
dPdF, & ! array of current grain stiffnesses
ip, & ! my integration point
el & ! my element
)
use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains, homogenization_Ngrains
implicit none
!* Definition of variables
real(pReal), dimension (3,3), intent(out) :: avgP
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF
integer(pInt), intent(in) :: ip,el
logical homogenization_isostrain_stateUpdate
integer(pInt) homID, i, Ngrains
! homID = homogenization_typeInstance(mesh_element(3,el))
Ngrains = homogenization_Ngrains(mesh_element(3,el))
avgP = sum(P,3)/Ngrains
dAvgPdAvgF = sum(dPdF,5)/Ngrains
return
!*****************************************************
!* Module: HOMOGENIZATION_ISOSTRAIN *
!*****************************************************
!* contains: *
!*****************************************************
! [isostrain]
! type isostrain
! Ngrains 6
! (output) Ngrains
MODULE homogenization_isostrain
!*** Include other modules ***
use prec, only: pReal,pInt
implicit none
character (len=*), parameter :: homogenization_isostrain_label = 'isostrain'
integer(pInt), dimension(:), allocatable :: homogenization_isostrain_sizeState, &
homogenization_isostrain_sizePostResults, &
homogenization_isostrain_Ngrains
character(len=64), dimension(:,:), allocatable :: homogenization_isostrain_output
CONTAINS
!****************************************
!* - homogenization_isostrain_init
!* - homogenization_isostrain_stateInit
!* - homogenization_isostrain_deformationPartititon
!* - homogenization_isostrain_stateUpdate
!* - homogenization_isostrain_averageStressAndItsTangent
!* - homogenization_isostrain_postResults
!****************************************
!**************************************
!* Module initialization *
!**************************************
subroutine homogenization_isostrain_init(&
file & ! file pointer to material configuration
)
use prec, only: pInt, pReal
use math, only: math_Mandel3333to66, math_Voigt66to3333
use IO
use material
integer(pInt), intent(in) :: file
integer(pInt), parameter :: maxNchunks = 2
integer(pInt), dimension(1+2*maxNchunks) :: positions
integer(pInt) section, maxNinstance, i,j,k,l, output
character(len=64) tag
character(len=1024) line
maxNinstance = count(homogenization_type == homogenization_isostrain_label)
if (maxNinstance == 0) return
allocate(homogenization_isostrain_sizeState(maxNinstance)) ; homogenization_isostrain_sizeState = 0_pInt
allocate(homogenization_isostrain_sizePostResults(maxNinstance)); homogenization_isostrain_sizePostResults = 0_pInt
allocate(homogenization_isostrain_Ngrains(maxNinstance)); homogenization_isostrain_Ngrains = 0_pInt
allocate(homogenization_isostrain_output(maxval(homogenization_Noutput), &
maxNinstance)) ; homogenization_isostrain_output = ''
rewind(file)
line = ''
section = 0
do while (IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization) ! wind forward to <homogenization>
read(file,'(a1024)',END=100) line
enddo
do ! read thru sections of phase part
read(file,'(a1024)',END=100) line
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1
output = 0 ! reset output counter
endif
if (section > 0 .and. homogenization_type(section) == homogenization_isostrain_label) then ! one of my sections
i = homogenization_typeInstance(section) ! which instance of my type is present homogenization
positions = IO_stringPos(line,maxNchunks)
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
select case(tag)
case ('(output)')
output = output + 1
homogenization_isostrain_output(output,i) = IO_lc(IO_stringValue(line,positions,2))
case ('ngrains')
homogenization_isostrain_Ngrains(i) = IO_intValue(line,positions,2)
end select
endif
enddo
100 do i = 1,maxNinstance ! sanity checks
enddo
do i = 1,maxNinstance
homogenization_isostrain_sizeState(i) = 0_pInt
do j = 1,maxval(homogenization_Noutput)
select case(homogenization_isostrain_output(j,i))
case('ngrains')
homogenization_isostrain_sizePostResults(i) = &
homogenization_isostrain_sizePostResults(i) + 1
end select
enddo
enddo
return
endsubroutine
!*********************************************************************
!* initial homogenization state *
!*********************************************************************
function homogenization_isostrain_stateInit(myInstance)
use prec, only: pReal,pInt
implicit none
!* Definition of variables
integer(pInt), intent(in) :: myInstance
real(pReal), dimension(homogenization_isostrain_sizeState(myInstance)) :: &
homogenization_isostrain_stateInit ! modified <<<updated 31.07.2009>>>
homogenization_isostrain_stateInit = 0.0_pReal
return
endfunction
!********************************************************************
! partition material point def grad onto constituents
!********************************************************************
subroutine homogenization_isostrain_partitionDeformation(&
F, & ! partioned def grad per grain
!
F0, & ! initial partioned def grad per grain
avgF, & ! my average def grad
state, & ! my state
ip, & ! my integration point
el & ! my element
)
use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains,homogenization_Ngrains
implicit none
!* Definition of variables
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: F0
real(pReal), dimension (3,3), intent(in) :: avgF
type(p_vec), intent(in) :: state
integer(pInt), intent(in) :: ip,el
integer(pInt) homID, i
! homID = homogenization_typeInstance(mesh_element(3,el))
forall (i = 1:homogenization_Ngrains(mesh_element(3,el))) &
F(:,:,i) = avgF
return
endsubroutine
!********************************************************************
! update the internal state of the homogenization scheme
! and tell whether "done" and "happy" with result
!********************************************************************
function homogenization_isostrain_updateState(&
state, & ! my state
!
P, & ! array of current grain stresses
dPdF, & ! array of current grain stiffnesses
ip, & ! my integration point
el & ! my element
)
use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains
implicit none
!* Definition of variables
type(p_vec), intent(inout) :: state
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF
integer(pInt), intent(in) :: ip,el
! integer(pInt) homID
logical, dimension(2) :: homogenization_isostrain_updateState
! homID = homogenization_typeInstance(mesh_element(3,el))
homogenization_isostrain_updateState = .true. ! homogenization at material point converged (done and happy)
return
endfunction
!********************************************************************
! derive average stress and stiffness from constituent quantities
!********************************************************************
subroutine homogenization_isostrain_averageStressAndItsTangent(&
avgP, & ! average stress at material point
dAvgPdAvgF, & ! average stiffness at material point
!
P, & ! array of current grain stresses
dPdF, & ! array of current grain stiffnesses
ip, & ! my integration point
el & ! my element
)
use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains, homogenization_Ngrains
implicit none
!* Definition of variables
real(pReal), dimension (3,3), intent(out) :: avgP
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF
integer(pInt), intent(in) :: ip,el
logical homogenization_isostrain_stateUpdate
integer(pInt) homID, i, Ngrains
! homID = homogenization_typeInstance(mesh_element(3,el))
Ngrains = homogenization_Ngrains(mesh_element(3,el))
avgP = sum(P,3)/dble(Ngrains)
dAvgPdAvgF = sum(dPdF,5)/dble(Ngrains)
return
endsubroutine
!********************************************************************
! derive average stress and stiffness from constituent quantities
@ -257,48 +258,48 @@ function homogenization_isostrain_averageTemperature(&
! homID = homogenization_typeInstance(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
endfunction
!********************************************************************
! return array of homogenization results for post file inclusion
!********************************************************************
pure function homogenization_isostrain_postResults(&
state, & ! my state
ip, & ! my integration point
el & ! my element
)
use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element
use material, only: homogenization_typeInstance,homogenization_Noutput
implicit none
!* Definition of variables
type(p_vec), intent(in) :: state
integer(pInt), intent(in) :: ip,el
integer(pInt) homID,o,c
real(pReal), dimension(homogenization_isostrain_sizePostResults(homogenization_typeInstance(mesh_element(3,el)))) :: &
homogenization_isostrain_postResults
homID = homogenization_typeInstance(mesh_element(3,el))
c = 0_pInt
homogenization_isostrain_postResults = 0.0_pReal
do o = 1,homogenization_Noutput(mesh_element(3,el))
select case(homogenization_isostrain_output(o,homID))
case ('ngrains')
homogenization_isostrain_postResults(c+1) = homogenization_isostrain_Ngrains(homID)
c = c + 1
end select
enddo
return
endfunction
END MODULE
!********************************************************************
! return array of homogenization results for post file inclusion
!********************************************************************
pure function homogenization_isostrain_postResults(&
state, & ! my state
ip, & ! my integration point
el & ! my element
)
use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element
use material, only: homogenization_typeInstance,homogenization_Noutput
implicit none
!* Definition of variables
type(p_vec), intent(in) :: state
integer(pInt), intent(in) :: ip,el
integer(pInt) homID,o,c
real(pReal), dimension(homogenization_isostrain_sizePostResults(homogenization_typeInstance(mesh_element(3,el)))) :: &
homogenization_isostrain_postResults
homID = homogenization_typeInstance(mesh_element(3,el))
c = 0_pInt
homogenization_isostrain_postResults = 0.0_pReal
do o = 1,homogenization_Noutput(mesh_element(3,el))
select case(homogenization_isostrain_output(o,homID))
case ('ngrains')
homogenization_isostrain_postResults(c+1) = homogenization_isostrain_Ngrains(homID)
c = c + 1
end select
enddo
return
endfunction
END MODULE

2
code/material.f90
View File

@ -170,7 +170,7 @@ subroutine material_parseHomogenization(file,myPart)
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
select case(tag)
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
if (homogenization_type(s) == homogenization_type(section)) &
homogenization_typeInstance(section) = homogenization_typeInstance(section) + 1 ! count instances

11
code/math.f90
View File

@ -455,21 +455,22 @@ endsubroutine
! e_ijk = -1 if odd permutation of ijk
! 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
implicit none
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. &
((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. &
((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
ENDFUNCTION

1
code/mpie_cpfem_marc.f90
View File

@ -49,6 +49,7 @@
include "constitutive.f90" ! uses prec, IO, math, lattice, mesh, debug
include "crystallite.f90" ! uses prec, math, IO, numerics
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 "CPFEM.f90" ! uses prec, math, IO, numerics, debug, FEsolving, mesh, lattice, constitutive, crystallite

126
code/numerics.f90
View File

@ -11,8 +11,7 @@ integer(pInt) iJacoStiffness, & ! freque
nHomog, & ! homogenization loop limit
nCryst, & ! crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
nState, & ! state loop limit
nStress, & ! stress loop limit
NRiterMax ! maximum number of GIA iteration
nStress ! stress loop limit
real(pReal) relevantStrain, & ! strain increment considered significant
pert_Fg, & ! strain perturbation for FEM Jacobi
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_crystalliteStress, & ! relative 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
@ -62,23 +65,27 @@ subroutine numerics_init()
write(6,*)
! initialize all parameters with standard values
relevantStrain = 1.0e-7_pReal
iJacoStiffness = 1_pInt
iJacoLpresiduum = 1_pInt
pert_Fg = 1.0e-6_pReal
nHomog = 10_pInt
nCryst = 20_pInt
nState = 10_pInt
nStress = 40_pInt
subStepMin = 1.0e-3_pReal
rTol_crystalliteState = 1.0e-6_pReal
relevantStrain = 1.0e-7_pReal
iJacoStiffness = 1_pInt
iJacoLpresiduum = 1_pInt
pert_Fg = 1.0e-6_pReal
nHomog = 10_pInt
nCryst = 20_pInt
nState = 10_pInt
nStress = 40_pInt
subStepMin = 1.0e-3_pReal
rTol_crystalliteState = 1.0e-6_pReal
rTol_crystalliteTemperature = 1.0e-6_pReal
rTol_crystalliteStress = 1.0e-6_pReal
aTol_crystalliteStress = 1.0e-8_pReal
resToler = 1.0e-4_pReal
resAbsol = 1.0e+2_pReal
resBound = 1.0e+1_pReal
NRiterMax = 24_pInt
rTol_crystalliteStress = 1.0e-6_pReal
aTol_crystalliteStress = 1.0e-8_pReal
!* RGC parameters: added <<<updated 31.07.2009>>>
absTol_RGC = 1.0e+3
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
if(IO_open_file(fileunit,numerics_configFile)) then
@ -120,14 +127,21 @@ subroutine numerics_init()
rTol_crystalliteStress = IO_floatValue(line,positions,2)
case ('atol_crystallitestress')
aTol_crystalliteStress = IO_floatValue(line,positions,2)
case ('restoler')
resToler = IO_floatValue(line,positions,2)
case ('resabsol')
resAbsol = IO_floatValue(line,positions,2)
case ('resbound')
resBound = IO_floatValue(line,positions,2)
case ('nritermax')
NRiterMax = IO_intValue(line,positions,2)
!* RGC parameters: added <<<updated 31.07.2009>>>
case ('atol_rgc')
absTol_RGC = IO_floatValue(line,positions,2)
case ('rtol_rgc')
relTol_RGC = IO_floatValue(line,positions,2)
case ('amax_rgc')
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
enddo
100 close(fileunit)
@ -154,31 +168,39 @@ subroutine numerics_init()
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)') 'aTol_crystalliteStress: ',aTol_crystalliteStress
write(6,'(a24,x,e8.1)') 'resToler: ',resToler
write(6,'(a24,x,e8.1)') 'resAbsol: ',resAbsol
write(6,'(a24,x,e8.1)') 'resBound: ',resBound
write(6,'(a24,x,i8)') 'NRiterMax: ',NRiterMax
!* RGC parameters: added <<<updated 31.07.2009>>>
write(6,'(a24,x,e8.1)') 'aTol_RGC: ',absTol_RGC
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,*)
! sanity check
if (relevantStrain <= 0.0_pReal) call IO_error(260)
if (iJacoStiffness < 1_pInt) call IO_error(261)
if (iJacoLpresiduum < 1_pInt) call IO_error(262)
if (pert_Fg <= 0.0_pReal) call IO_error(263)
if (nHomog < 1_pInt) call IO_error(264)
if (nCryst < 1_pInt) call IO_error(265)
if (nState < 1_pInt) call IO_error(266)
if (nStress < 1_pInt) call IO_error(267)
if (subStepMin <= 0.0_pReal) call IO_error(268)
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(269)
! sanity check
if (relevantStrain <= 0.0_pReal) call IO_error(260)
if (iJacoStiffness < 1_pInt) call IO_error(261)
if (iJacoLpresiduum < 1_pInt) call IO_error(262)
if (pert_Fg <= 0.0_pReal) call IO_error(263)
if (nHomog < 1_pInt) call IO_error(264)
if (nCryst < 1_pInt) call IO_error(265)
if (nState < 1_pInt) call IO_error(266)
if (nStress < 1_pInt) call IO_error(267)
if (subStepMin <= 0.0_pReal) call IO_error(268)
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(269)
if (rTol_crystalliteTemperature <= 0.0_pReal) call IO_error(276)
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(270)
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)
if (resBound <= 0.0_pReal) call IO_error(274)
if (NRiterMax < 1_pInt) call IO_error(275)
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(270)
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(271)
!* RGC parameters: added <<<updated 31.07.2009>>>
if (absTol_RGC <= 0.0_pReal) call IO_error(272)
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
END MODULE numerics
END MODULE numerics