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reordered initialization for spectral method, corrected bug of deformation BC parsing when prescribing velocity gradient resulting in wrong average deformation

This commit is contained in:
Martin Diehl 2012-07-30 15:51:48 +00:00
parent d4163dd16f
commit 991a7bbd2d
2 changed files with 66 additions and 57 deletions
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105
code/CPFEM.f90
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@ -29,13 +29,13 @@ implicit none
real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, & real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, &
CPFEM_odd_jacobian = 1e50_pReal CPFEM_odd_jacobian = 1e50_pReal
real(pReal), dimension (:,:,:), allocatable :: CPFEM_cs ! Cauchy stress real(pReal), dimension (:,:,:), allocatable :: CPFEM_cs ! Cauchy stress
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE ! Cauchy stress tangent real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE ! Cauchy stress tangent
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE_knownGood ! known good tangent real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE_knownGood ! known good tangent
logical :: CPFEM_init_done = .false., & ! remember whether init has been done already logical :: CPFEM_init_done = .false., & ! remember whether init has been done already
CPFEM_init_inProgress = .false., & ! remember whether first IP is currently performing init CPFEM_init_inProgress = .false., & ! remember whether first IP is currently performing init
CPFEM_calc_done = .false. ! remember whether first IP has already calced the results CPFEM_calc_done = .false. ! remember whether first IP has already calced the results
CONTAINS CONTAINS
@ -62,9 +62,9 @@ subroutine CPFEM_initAll(Temperature,element,IP)
use DAMASK_interface use DAMASK_interface
implicit none implicit none
integer(pInt), intent(in) :: element, & ! FE element number integer(pInt), intent(in) :: element, & ! FE element number
IP ! FE integration point number IP ! FE integration point number
real(pReal), intent(in) :: Temperature ! temperature real(pReal), intent(in) :: Temperature ! temperature
real(pReal) rnd real(pReal) rnd
integer(pInt) i,n integer(pInt) i,n
@ -73,30 +73,33 @@ subroutine CPFEM_initAll(Temperature,element,IP)
if (.not. CPFEM_init_done) then if (.not. CPFEM_init_done) then
call random_number(rnd) call random_number(rnd)
do i=1,int(256.0*rnd) do i=1,int(256.0*rnd)
n = n+1_pInt ! wasting random amount of time... n = n+1_pInt ! wasting random amount of time...
enddo ! ...to break potential race in multithreading enddo ! ...to break potential race in multithreading
n = n+1_pInt n = n+1_pInt
if (.not. CPFEM_init_inProgress) then ! yes my thread won! if (.not. CPFEM_init_inProgress) then ! yes my thread won!
CPFEM_init_inProgress = .true. CPFEM_init_inProgress = .true.
#ifdef Spectral
call DAMASK_interface_init() ! Spectral solver is interfacing to commandline
#endif
call prec_init call prec_init
call IO_init call IO_init
call numerics_init call numerics_init
call debug_init call debug_init
call math_init call math_init
call FE_init call FE_init
call mesh_init(IP, element) ! pass on coordinates to alter calcMode of first ip call mesh_init(IP, element) ! pass on coordinates to alter calcMode of first ip
call lattice_init call lattice_init
call material_init call material_init
call constitutive_init call constitutive_init
call crystallite_init(Temperature) ! (have to) use temperature of first IP for whole model call crystallite_init(Temperature) ! (have to) use temperature of first IP for whole model
call homogenization_init(Temperature) call homogenization_init(Temperature)
call CPFEM_init call CPFEM_init
#ifndef Spectral #ifndef Spectral
call DAMASK_interface_init() ! Spectral solver is doing initialization earlier call DAMASK_interface_init() ! Spectral solver init is already done
#endif #endif
CPFEM_init_done = .true. CPFEM_init_done = .true.
CPFEM_init_inProgress = .false. CPFEM_init_inProgress = .false.
else ! loser, loser... else ! loser, loser...
do while (CPFEM_init_inProgress) do while (CPFEM_init_inProgress)
enddo enddo
endif endif
@ -111,7 +114,7 @@ end subroutine CPFEM_initAll
subroutine CPFEM_init subroutine CPFEM_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use prec, only: pInt use prec, only: pInt
use debug, only: debug_level, & use debug, only: debug_level, &
debug_CPFEM, & debug_CPFEM, &
@ -315,46 +318,46 @@ subroutine CPFEM_general(mode, coords, ffn, ffn1, Temperature, dt, element, IP,
!*** input variables ***! !*** input variables ***!
integer(pInt), intent(in) :: element, & ! FE element number integer(pInt), intent(in) :: element, & ! FE element number
IP ! FE integration point number IP ! FE integration point number
real(pReal), intent(inout) :: Temperature ! temperature real(pReal), intent(inout) :: Temperature ! temperature
real(pReal), intent(in) :: dt ! time increment real(pReal), intent(in) :: dt ! time increment
real(pReal), dimension (3,*), intent(in) :: coords ! MARC: displacements for each node of the current element real(pReal), dimension (3,*), intent(in) :: coords ! MARC: displacements for each node of the current element
! ABAQUS: coordinates of the current material point (IP) ! ABAQUS: coordinates of the current material point (IP)
! SPECTRAL: coordinates of the current material point (IP) ! SPECTRAL: coordinates of the current material point (IP)
real(pReal), dimension (3,3), intent(in) :: ffn, & ! deformation gradient for t=t0 real(pReal), dimension (3,3), intent(in) :: ffn, & ! deformation gradient for t=t0
ffn1 ! deformation gradient for t=t1 ffn1 ! deformation gradient for t=t1
integer(pInt), intent(in) :: mode ! computation mode 1: regular computation plus aging of results integer(pInt), intent(in) :: mode ! computation mode 1: regular computation plus aging of results
! 2: regular computation ! 2: regular computation
! 3: collection of FEM data ! 3: collection of FEM data
! 4: backup tangent from former converged inc ! 4: backup tangent from former converged inc
! 5: restore tangent from former converged inc ! 5: restore tangent from former converged inc
! 6: recycling of former results (MARC speciality) ! 6: recycling of former results (MARC speciality)
!*** output variables ***! !*** output variables ***!
real(pReal), dimension(6), intent(out) :: cauchyStress ! stress vector in Mandel notation real(pReal), dimension(6), intent(out) :: cauchyStress ! stress vector in Mandel notation
real(pReal), dimension(6,6), intent(out) :: jacobian ! jacobian in Mandel notation real(pReal), dimension(6,6), intent(out) :: jacobian ! jacobian in Mandel notation
real(pReal), dimension (3,3), intent(out) :: pstress ! Piola-Kirchhoff stress in Matrix notation real(pReal), dimension (3,3), intent(out) :: pstress ! Piola-Kirchhoff stress in Matrix notation
real(pReal), dimension (3,3,3,3), intent(out) :: dPdF ! real(pReal), dimension (3,3,3,3), intent(out) :: dPdF !
!*** local variables ***! !*** local variables ***!
real(pReal) J_inverse, & ! inverse of Jacobian real(pReal) J_inverse, & ! inverse of Jacobian
rnd rnd
real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress in Matrix notation real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress in Matrix notation
cauchyStress33 ! stress vector in Matrix notation cauchyStress33 ! stress vector in Matrix notation
real(pReal), dimension (3,3,3,3) :: H_sym, & real(pReal), dimension (3,3,3,3) :: H_sym, &
H, & H, &
jacobian3333 ! jacobian in Matrix notation jacobian3333 ! jacobian in Matrix notation
integer(pInt) cp_en, & ! crystal plasticity element number integer(pInt) cp_en, & ! crystal plasticity element number
i, j, k, l, m, n, e i, j, k, l, m, n, e
#ifdef Marc #ifdef Marc
integer(pInt):: node, FEnodeID integer(pInt):: node, FEnodeID
#endif #endif
logical updateJaco ! flag indicating if JAcobian has to be updated logical updateJaco ! flag indicating if JAcobian has to be updated
cp_en = mesh_FEasCP('elem',element) cp_en = mesh_FEasCP('elem',element)
@ -387,15 +390,15 @@ subroutine CPFEM_general(mode, coords, ffn, ffn1, Temperature, dt, element, IP,
!*** age results !*** age results
if (mode == 1 .or. mode == 8) then if (mode == 1 .or. mode == 8) then
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...) crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
forall ( i = 1:homogenization_maxNgrains, & forall ( i = 1:homogenization_maxNgrains, &
j = 1:mesh_maxNips, & j = 1:mesh_maxNips, &
k = 1:mesh_NcpElems ) & k = 1:mesh_NcpElems ) &
constitutive_state0(i,j,k)%p = constitutive_state(i,j,k)%p ! microstructure of crystallites constitutive_state0(i,j,k)%p = constitutive_state(i,j,k)%p ! microstructure of crystallites
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) then if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(a)') '<< CPFEM >> Aging states' write(6,'(a)') '<< CPFEM >> Aging states'
@ -410,7 +413,7 @@ subroutine CPFEM_general(mode, coords, ffn, ffn1, Temperature, dt, element, IP,
do k = 1,mesh_NcpElems do k = 1,mesh_NcpElems
do j = 1,mesh_maxNips do j = 1,mesh_maxNips
if (homogenization_sizeState(j,k) > 0_pInt) & if (homogenization_sizeState(j,k) > 0_pInt) &
homogenization_state0(j,k)%p = homogenization_state(j,k)%p ! internal state of homogenization scheme homogenization_state0(j,k)%p = homogenization_state(j,k)%p ! internal state of homogenization scheme
enddo enddo
enddo enddo
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
@ -476,7 +479,7 @@ subroutine CPFEM_general(mode, coords, ffn, ffn1, Temperature, dt, element, IP,
! * end of dumping ! * end of dumping
endif endif
if (mode == 8 .or. mode == 9) then ! Abaqus explicit skips collect if (mode == 8 .or. mode == 9) then ! Abaqus explicit skips collect
materialpoint_Temperature(IP,cp_en) = Temperature materialpoint_Temperature(IP,cp_en) = Temperature
materialpoint_F0(1:3,1:3,IP,cp_en) = ffn materialpoint_F0(1:3,1:3,IP,cp_en) = ffn
materialpoint_F(1:3,1:3,IP,cp_en) = ffn1 materialpoint_F(1:3,1:3,IP,cp_en) = ffn1

18
code/DAMASK_spectral.f90
View File

@ -170,6 +170,7 @@ program DAMASK_spectral
P_av, & P_av, &
F_aim = math_I3, & F_aim = math_I3, &
F_aim_lastInc = math_I3, & F_aim_lastInc = math_I3, &
Favg = 0.0_pReal, &
mask_stress, & mask_stress, &
mask_defgrad, & mask_defgrad, &
deltaF_aim, & deltaF_aim, &
@ -257,7 +258,11 @@ program DAMASK_spectral
integer :: ierr_psc integer :: ierr_psc
call PetscInitialize(PETSC_NULL_CHARACTER, ierr_psc) call PetscInitialize(PETSC_NULL_CHARACTER, ierr_psc)
#endif #endif
call DAMASK_interface_init
!--------------------------------------------------------------------------------------------------
! initialization of all related DAMASK modules (e.g. mesh.f90 reads in geometry)
call CPFEM_initAll(temperature = 300.0_pReal, element = 1_pInt, IP= 1_pInt)
write(6,'(a)') '' write(6,'(a)') ''
write(6,'(a)') ' <<<+- DAMASK_spectral init -+>>>' write(6,'(a)') ' <<<+- DAMASK_spectral init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
@ -363,10 +368,6 @@ program DAMASK_spectral
end select end select
enddo; enddo enddo; enddo
101 close(myUnit) 101 close(myUnit)
!-------------------------------------------------------------------------------------------------- ToDo: if temperature at CPFEM is treated properly, move this up immediately after interface init
! initialization of all related DAMASK modules (e.g. mesh.f90 reads in geometry)
call CPFEM_initAll(bc(1)%temperature,1_pInt,1_pInt)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! get resolution, dimension, homogenization and variables derived from resolution ! get resolution, dimension, homogenization and variables derived from resolution
@ -700,6 +701,7 @@ program DAMASK_spectral
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update local deformation gradient and coordinates ! update local deformation gradient and coordinates
deltaF_aim = math_rotate_backward33(deltaF_aim,bc(loadcase)%rotation) deltaF_aim = math_rotate_backward33(deltaF_aim,bc(loadcase)%rotation)
Favg = 0.0_pReal
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1) do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
temp33_Real = F(i,j,k,1:3,1:3) temp33_Real = F(i,j,k,1:3,1:3)
F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
@ -707,6 +709,11 @@ program DAMASK_spectral
*timeinc/timeinc_old & *timeinc/timeinc_old &
+ (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable + (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable
F_lastInc(i,j,k,1:3,1:3) = temp33_Real F_lastInc(i,j,k,1:3,1:3) = temp33_Real
Favg = Favg + F(i,j,k,1:3,1:3)
enddo; enddo; enddo
deltaF_aim = guessmode *(Favg*wgt -F_aim) ! average correction in case of guessing to
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) - deltaF_aim ! correct in case avg of F is not F_aim
enddo; enddo; enddo enddo; enddo; enddo
call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,bc(loadcase)%rotation),& ! calculate current coordinates call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,bc(loadcase)%rotation),& ! calculate current coordinates
1.0_pReal,F_lastInc,coordinates) 1.0_pReal,F_lastInc,coordinates)
@ -1037,7 +1044,6 @@ program DAMASK_spectral
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1) do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) - deltaF_real(i,j,k,1:3,1:3)*wgt ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) - deltaF_real(i,j,k,1:3,1:3)*wgt ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
enddo; enddo; enddo enddo; enddo; enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate bounds of det(F) and report ! calculate bounds of det(F) and report