223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Checked indices for Jacobi calculation

This commit is contained in:
Luc Hantcherli 2007-04-17 07:58:53 +00:00
parent c76ab95b21
commit 0f6ff82f30
1 changed files with 112 additions and 113 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

225
trunk/CPFEM.f90
View File

@ -1,32 +1,32 @@
!##############################################################
MODULE CPFEM
MODULE CPFEM
!##############################################################
! *** CPFEM engine ***
!
use prec, only: pReal,pInt
implicit none
!
! ****************************************************************
! *** General variables for the material behaviour calculation ***
! ****************************************************************
real(pReal), dimension (:,:,:), allocatable :: CPFEM_stress_all
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jacobi_all
! *** CPFEM engine ***
!
use prec, only: pReal,pInt
implicit none
!
! ****************************************************************
! *** General variables for the material behaviour calculation ***
! ****************************************************************
real(pReal), dimension (:,:,:), allocatable :: CPFEM_stress_all
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jacobi_all
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ffn_all
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ffn1_all
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_results
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ini_ori
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_sigma_old
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_sigma_new
real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_old
real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_new
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jaco_old
integer(pInt) :: CPFEM_inc_old = 0_pInt
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_results
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_ini_ori
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_sigma_old
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_sigma_new
real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_old
real(pReal), dimension (:,:,:,:,:), allocatable :: CPFEM_Fp_new
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_jaco_old
integer(pInt) :: CPFEM_inc_old = 0_pInt
integer(pInt) :: CPFEM_subinc_old = 1_pInt
integer(pInt) :: CPFEM_Nresults = 3_pInt
logical :: CPFEM_first_call = .true.
logical :: CPFEM_first_call = .true.
CONTAINS
CONTAINS
!*********************************************************
!*** allocate the arrays defined in module CPFEM ***
@ -57,12 +57,12 @@
allocate(CPFEM_sigma_old(6,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; CPFEM_sigma_old = 0.0_pReal
allocate(CPFEM_sigma_new(6,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; CPFEM_sigma_new = 0.0_pReal
!
! *** Plastic deformation gradient at (t=t0) and (t=t1) ***
! *** Plastic deformation gradient at (t=t0) and (t=t1) ***
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(CPFEM_Fp_new(3,3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; CPFEM_Fp_new = 0.0_pReal
!
!
! *** Old jacobian (consistent tangent) ***
allocate(CPFEM_jaco_old(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_jaco_old = 0.0_pReal
!
@ -83,7 +83,7 @@
call flush(6)
return
END SUBROUTINE
END SUBROUTINE
!
!
!***********************************************************************
@ -118,7 +118,7 @@
constitutive_state_old = constitutive_state_new
CPFEM_subinc_old = CPFEM_subinc
endif
else ! new increment
else ! new increment
CPFEM_sigma_old = CPFEM_sigma_new
CPFEM_Fp_old = CPFEM_Fp_new
constitutive_state_old = constitutive_state_new
@ -133,23 +133,23 @@
END SUBROUTINE
!**********************************************************
!*** calculate the material behaviour at IP level ***
!**********************************************************
SUBROUTINE CPFEM_stressIP(&
CPFEM_cn,& ! Cycle number
CPFEM_dt,& ! Time increment (dt)
cp_en,& ! Element number
CPFEM_in) ! Integration point number
SUBROUTINE CPFEM_stressIP(&
CPFEM_cn,& ! Cycle number
CPFEM_dt,& ! Time increment (dt)
cp_en,& ! Element number
CPFEM_in) ! Integration point number
use prec, only: pReal,pInt,ijaco,nCutback
use math, only: math_pDecomposition,math_RtoEuler
use IO, only: IO_error
use mesh, only: mesh_element
use constitutive
!
implicit none
use math, only: math_pDecomposition,math_RtoEuler
use IO, only: IO_error
use mesh, only: mesh_element
use constitutive
!
implicit none
integer(pInt), parameter :: i_now = 1_pInt,i_then = 2_pInt
character(len=128) msg
@ -163,28 +163,28 @@
real(pReal), dimension(3,3,2) :: Fg,Fp
real(pReal), dimension(constitutive_maxNstatevars,2) :: state
updateJaco = (mod(CPFEM_cn,ijaco)==0) ! update consistent tangent every ijaco'th iteration
updateJaco = (mod(CPFEM_cn,ijaco)==0) ! update consistent tangent every ijaco'th iteration
CPFEM_stress_all(:,CPFEM_in,cp_en) = 0.0_pReal ! average Cauchy stress
if (updateJaco) CPFEM_jaco_old(:,:,CPFEM_in,cp_en) = 0.0_pReal ! average consistent tangent
CPFEM_stress_all(:,CPFEM_in,cp_en) = 0.0_pReal ! average Cauchy stress
if (updateJaco) CPFEM_jaco_old(:,:,CPFEM_in,cp_en) = 0.0_pReal ! average consistent tangent
! -------------- grain loop -----------------
! -------------- grain loop -----------------
do grain = 1,constitutive_Ngrains(CPFEM_in,cp_en)
! -------------------------------------------
i = 0_pInt ! cutback counter
state(:,i_now) = constitutive_state_old(:,grain,CPFEM_in,cp_en)
Fg(:,:,i_now) = CPFEM_ffn_all(:,:,CPFEM_in,cp_en)
Fp(:,:,i_now) = CPFEM_Fp_old(:,:,grain,CPFEM_in,cp_en)
deltaFg = CPFEM_ffn1_all(:,:,CPFEM_in,cp_en)-CPFEM_ffn_all(:,:,CPFEM_in,cp_en)
dt = CPFEM_dt
Tstar_v = 0.0_pReal ! fully elastic initial guess
Fg(:,:,i_then) = Fg(:,:,i_now)
state(:,i_then) = 0.0_pReal ! state_old as initial guess
state(:,i_then) = 0.0_pReal ! state_old as initial guess
t = 0.0_pReal
! ------- crystallite integration -----------
do
! -------------------------------------------
@ -195,7 +195,7 @@
t = CPFEM_dt ! final time
Fg(:,:,i_then) = CPFEM_ffn_all(:,:,CPFEM_in,cp_en) ! final Fg
endif
call CPFEM_stressCrystallite(msg,cs,cd,Tstar_v,Fp(:,:,i_then),Fe,state(:,i_then),&
dt,cp_en,CPFEM_in,grain,updateJaco .and. t==CPFEM_dt,&
Fg(:,:,i_now),Fg(:,:,i_then),Fp(:,:,i_now),state(:,i_now))
@ -218,12 +218,12 @@
endif
endif
enddo ! crystallite integration (cutback loop)
! ---- update crystallite matrices at t = t1 ----
! ---- update crystallite matrices at t = t1 ----
CPFEM_Fp_new(:,:,grain,CPFEM_in,cp_en) = Fp(:,:,i_then)
constitutive_state_new(:,grain,CPFEM_in,cp_en) = state(:,i_then)
CPFEM_sigma_new(:,grain,CPFEM_in,cp_en) = Tstar_v
! ---- update results plotted in MENTAT ----
! ---- update results plotted in MENTAT ----
call math_pDecomposition(Fe,U,R,error) ! polar decomposition
if (error) then
write(6,*) 'polar decomposition'
@ -237,15 +237,15 @@
CPFEM_results(4:3+constitutive_Nresults(grain,CPFEM_in,cp_en),grain,CPFEM_in,cp_en) = &
constitutive_post_results(Tstar_v,state(:,i_then),CPFEM_dt,grain,CPFEM_in,cp_en)
! ---- contribute to IP result ----
volfrac = constitutive_matVolFrac(grain,CPFEM_in,cp_en)*constitutive_texVolFrac(grain,CPFEM_in,cp_en)
! ---- contribute to IP result ----
volfrac = constitutive_matVolFrac(grain,CPFEM_in,cp_en)*constitutive_texVolFrac(grain,CPFEM_in,cp_en)
CPFEM_stress_all(:,CPFEM_in,cp_en) = CPFEM_stress_all(:,CPFEM_in,cp_en)+volfrac*cs ! average Cauchy stress
if (updateJaco) CPFEM_jaco_old(:,:,CPFEM_in,cp_en) = CPFEM_jaco_old(:,:,CPFEM_in,cp_en)+volfrac*cd ! average consistent tangent
enddo ! grain loop
return
END SUBROUTINE
return
END SUBROUTINE
!********************************************************************
@ -254,7 +254,7 @@
! J. Mech. Phys, Solids Vol. 40, No. 3, pp. 537-569, 1992
! it is modified to use anisotropic elasticity matrix
!********************************************************************
subroutine CPFEM_stressCrystallite(&
subroutine CPFEM_stressCrystallite(&
msg,& ! return message
cs,& ! Cauchy stress vector
dcs_de,& ! consistent tangent
@ -263,20 +263,20 @@
Fe_new,& ! new "elastic" deformation gradient
state_new,& ! new state variable array
!
dt,& ! time increment
dt,& ! time increment
cp_en,& ! element number
CPFEM_in,& ! integration point number
grain,& ! grain number
updateJaco,& ! boolean to calculate Jacobi matrix
Fg_old,& ! old global deformation gradient
Fg_new,& ! new global deformation gradient
Fp_old,& ! old plastic deformation gradient
state_old) ! old state variable array
Fg_old,& ! old global deformation gradient
Fg_new,& ! new global deformation gradient
Fp_old,& ! old plastic deformation gradient
state_old) ! old state variable array
use prec, only: pReal,pInt,pert_e
use constitutive, only: constitutive_Nstatevars
use math, only: math_Mandel6to33,mapMandel
implicit none
use math, only: math_Mandel6to33,mapMandel
implicit none
character(len=*) msg
logical updateJaco,error
@ -288,20 +288,20 @@
real(pReal), dimension(constitutive_Nstatevars(grain,CPFEM_in,cp_en)) :: state_old,state_new,state_pert
call CPFEM_timeIntegration(msg,Fp_new,Fe_new,Tstar_v,state_new, & ! def gradients and PK2 at end of time step
dt,cp_en,CPFEM_in,grain,Fg_new,Fp_old,state_old)
dt,cp_en,CPFEM_in,grain,Fg_new,Fp_old,state_old)
if (msg /= 'ok') return
cs = CPFEM_CauchyStress(Tstar_v,Fe_new) ! Cauchy stress
if (updateJaco) then ! consistent tangent using numerical perturbation of Fg
do i = 1,6 ! Fg component
if (updateJaco) then ! consistent tangent using numerical perturbation of Fg
do i = 1,6 ! Fg component
E_pert = 0.0_pReal
E_pert(mapMandel(1,i),mapMandel(2,i)) = E_pert(mapMandel(1,i),mapMandel(2,i)) + pert_e/2.0_pReal
E_pert(mapMandel(2,i),mapMandel(1,i)) = E_pert(mapMandel(2,i),mapMandel(1,i)) + pert_e/2.0_pReal
Fg_pert = Fg_new+matmul(E_pert,Fg_old) ! perturbated Fg
Tstar_v_pert = Tstar_v ! initial guess from end of time step
state_pert = state_new ! initial guess from end of time step
Fg_pert = Fg_new+matmul(E_pert,Fg_old) ! perturbated Fg
Tstar_v_pert = Tstar_v ! initial guess from end of time step
state_pert = state_new ! initial guess from end of time step
call CPFEM_timeIntegration(msg,Fp_pert,Fe_pert,Tstar_v_pert,state_pert, &
dt,cp_en,CPFEM_in,grain,Fg_pert,Fp_old,state_old)
if (msg /= 'ok') then
@ -309,37 +309,37 @@
return
endif
! Remark: (perturbated) Cauchy stress is Mandel hence dcs_de(:,4:6) is too large by sqrt(2)
dcs_de(:,i) = (CPFEM_CauchyStress(Tstar_v_pert,Fe_pert)-cs)/pert_e
enddo
dcs_de(:,i) = (CPFEM_CauchyStress(Tstar_v_pert,Fe_pert)-cs)/pert_e
enddo
endif
return
return
END SUBROUTINE
END SUBROUTINE
!***********************************************************************
!*** fully-implicit two-level time integration ***
!***********************************************************************
SUBROUTINE CPFEM_timeIntegration(&
SUBROUTINE CPFEM_timeIntegration(&
msg,& ! return message
Fp_new,& ! new plastic deformation gradient
Fe_new,& ! new "elastic" deformation gradient
Tstar_v,& ! 2nd PK stress (taken as initial guess if /= 0)
state_new,& ! current microstructure at end of time inc (taken as guess if /= 0)
!
dt,& ! time increment
dt,& ! time increment
cp_en,& ! element number
CPFEM_in,& ! integration point number
grain,& ! grain number
Fg_new,& ! new total def gradient
Fp_old,& ! former plastic def gradient
Fg_new,& ! new total def gradient
Fp_old,& ! former plastic def gradient
state_old) ! former microstructure
use prec, only: pReal,pInt, nState,tol_State,nStress,tol_Stress, crite, nReg
use constitutive, only: constitutive_Nstatevars,&
constitutive_homogenizedC,constitutive_dotState,constitutive_LpAndItsTangent
use math
use math
implicit none
character(len=*) msg
@ -352,16 +352,16 @@
real(pReal), dimension(3,3,3,3) :: dLp, LTL
real(pReal), dimension(constitutive_Nstatevars(grain, CPFEM_in, cp_en)) :: state_old,state_new,dstate,Rstate,RstateS
logical failed
msg = 'ok' ! error-free so far
call math_invert3x3(Fp_old,invFp_old,det,failed) ! inversion of Fp
if (failed) then
msg = 'inversion Fp_old'
return
endif
msg = 'ok' ! error-free so far
C_66 = constitutive_HomogenizedC(grain, CPFEM_in, cp_en)
call math_invert3x3(Fp_old,invFp_old,det,failed) ! inversion of Fp
if (failed) then
msg = 'inversion Fp_old'
return
endif
C_66 = constitutive_HomogenizedC(grain, CPFEM_in, cp_en)
A = matmul(Fg_new,invFp_old) ! actually Fe
A = matmul(transpose(A), A)
@ -380,8 +380,8 @@ state: do ! outer iteration: state
if (iState > nState) then
msg = 'limit state iteration'
return
endif
stress: do ! inner iteration: stress
endif
stress: do ! inner iteration: stress
iStress = iStress+1
if (iStress > nStress) then ! too many loops required
msg = 'limit stress iteration'
@ -390,7 +390,7 @@ stress: do ! inner iteration: stress
call constitutive_LpAndItsTangent(Lp,dLp, Tstar_v,state_new,grain,CPFEM_in,cp_en)
B = math_I3-dt*Lp
Rstress = Tstar_v - 0.5_pReal*matmul(C_66,math_Mandel33to6(matmul(transpose(B),matmul(A,B))-math_I3))
if (maxval(abs(Rstress/maxval(abs(Tstar_v)))) < tol_Stress) exit stress
if (maxval(abs(Tstar_v)) == 0.0_pReal .or. maxval(abs(Rstress/maxval(abs(Tstar_v)))) < tol_Stress) exit stress
! update stress guess using inverse of dRes/dTstar (Newton--Raphson)
AB = matmul(A,B)
@ -401,7 +401,7 @@ stress: do ! inner iteration: stress
do l=1,3
do m=1,3
! LTL(i,j,k,l) = LTL(i,j,k,l) + AB(i,m)*dLp(m,j,k,l) + AB(j,m)*dLp(m,i,l,k) ! old
LTL(i,j,k,l) = LTL(i,j,k,l) + dLp(j,i,k,m)*AB(m,l) + AB(m,i)*dLp(m,j,k,l) ! new (and correct??)
LTL(i,j,k,l) = LTL(i,j,k,l) + dLp(j,i,m,k)*AB(m,l) + AB(m,i)*dLp(m,j,k,l) ! new (and correct??)
enddo
enddo
enddo
@ -412,44 +412,44 @@ stress: do ! inner iteration: stress
j = 0_pInt ; failed = .true.
do while (failed .and. j <= nReg)
call math_invert6x6(Jacobi,invJacobi,dummy,failed)
forall (i=1:6) Jacobi(i,i) = 1.05_pReal*maxval(Jacobi(i,:)) ! regularization
j = j+1
forall (i=1:6) Jacobi(i,i) = 1.05_pReal*maxval(Jacobi(i,:)) ! regularization
j = j+1
enddo
if (failed) then
msg = 'regularization Jacobi'
return
endif
dTstar_v = matmul(invJacobi,Rstress) ! correction to Tstar
endif
dTstar_v = matmul(invJacobi,Rstress) ! correction to Tstar
forall(i=1:6, abs(dTstar_v(i)) > crite*maxval(abs(Tstar_v))) &
dTstar_v(i) = sign(crite*maxval(abs(Tstar_v)),dTstar_v(i)) ! cap to maximum correction
Tstar_v = Tstar_v-dTstar_v
Tstar_v = Tstar_v-dTstar_v
enddo stress
enddo stress
dstate = dt*constitutive_dotState(Tstar_v,state_new,grain,CPFEM_in,cp_en) ! evolution of microstructure
Rstate = state_new - (state_old+dstate)
dstate = dt*constitutive_dotState(Tstar_v,state_new,grain,CPFEM_in,cp_en) ! evolution of microstructure
Rstate = state_new - (state_old+dstate)
RstateS = 0.0_pReal
forall (i=1:constitutive_Nstatevars(grain,CPFEM_in,cp_en), state_new(i)/=0.0_pReal) &
RstateS(i) = Rstate(i)/state_new(i)
if (maxval(abs(RstateS)) < tol_State) exit state
state_new = state_old+dstate
if (maxval(abs(RstateS)) < tol_State) exit state
state_new = state_old+dstate
enddo state
invFp_new = matmul(invFp_old,B)
invFp_new = matmul(invFp_old,B)
call math_invert3x3(invFp_new,Fp_new,det,failed)
if (failed) then
msg = 'inversion Fp_new'
return
endif
Fp_new = Fp_new*det**(1.0_pReal/3.0_pReal) ! det = det(InvFp_new) !!
Fe_new = matmul(Fg_new,invFp_new)
Fp_new = Fp_new*det**(1.0_pReal/3.0_pReal) ! det = det(InvFp_new) !!
Fe_new = matmul(Fg_new,invFp_new)
return
return
END SUBROUTINE
FUNCTION CPFEM_CauchyStress(PK_v,Fe)
!***********************************************************************
!*** Cauchy stress calculation ***
@ -463,7 +463,6 @@ stress: do ! inner iteration: stress
CPFEM_CauchyStress = math_Mandel33to6(matmul(matmul(Fe,math_Mandel6to33(PK_v)),transpose(Fe))/math_det3x3(Fe))
return
END FUNCTION
END MODULE