287 lines
12 KiB
Fortran
287 lines
12 KiB
Fortran
!--------------------------------------------------------------------------------------------------
|
|
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
|
|
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
|
!> @brief CPFEM engine
|
|
!--------------------------------------------------------------------------------------------------
|
|
module CPFEM
|
|
use prec
|
|
use FEsolving
|
|
use math
|
|
use rotations
|
|
use YAML_types
|
|
use YAML_parse
|
|
use discretization_marc
|
|
use material
|
|
use config
|
|
use crystallite
|
|
use homogenization
|
|
use IO
|
|
use discretization
|
|
use DAMASK_interface
|
|
use HDF5_utilities
|
|
use results
|
|
use lattice
|
|
use constitutive
|
|
|
|
implicit none
|
|
private
|
|
|
|
real(pReal), dimension (:,:,:), allocatable, private :: &
|
|
CPFEM_cs !< Cauchy stress
|
|
real(pReal), dimension (:,:,:,:), allocatable, private :: &
|
|
CPFEM_dcsdE !< Cauchy stress tangent
|
|
real(pReal), dimension (:,:,:,:), allocatable, private :: &
|
|
CPFEM_dcsdE_knownGood !< known good tangent
|
|
|
|
integer(pInt), public :: &
|
|
cycleCounter = 0_pInt !< needs description
|
|
|
|
integer(pInt), parameter, public :: &
|
|
CPFEM_CALCRESULTS = 2_pInt**0_pInt, &
|
|
CPFEM_AGERESULTS = 2_pInt**1_pInt, &
|
|
CPFEM_BACKUPJACOBIAN = 2_pInt**2_pInt, &
|
|
CPFEM_RESTOREJACOBIAN = 2_pInt**3_pInt
|
|
|
|
type, private :: tNumerics
|
|
integer :: &
|
|
iJacoStiffness !< frequency of stiffness update
|
|
end type tNumerics
|
|
|
|
type(tNumerics), private :: num
|
|
|
|
type, private :: tDebugOptions
|
|
logical :: &
|
|
basic, &
|
|
extensive, &
|
|
selective
|
|
integer:: &
|
|
element, &
|
|
ip
|
|
end type tDebugOptions
|
|
|
|
type(tDebugOptions), private :: debugCPFEM
|
|
|
|
public :: &
|
|
CPFEM_general, &
|
|
CPFEM_initAll, &
|
|
CPFEM_results
|
|
|
|
contains
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief call all module initializations
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine CPFEM_initAll
|
|
|
|
call parallelization_init
|
|
call DAMASK_interface_init
|
|
call prec_init
|
|
call IO_init
|
|
call YAML_types_init
|
|
call YAML_parse_init
|
|
call config_init
|
|
call math_init
|
|
call rotations_init
|
|
call HDF5_utilities_init
|
|
call results_init(.false.)
|
|
call discretization_marc_init
|
|
call lattice_init
|
|
call material_init(.false.)
|
|
call constitutive_init
|
|
call crystallite_init
|
|
call homogenization_init
|
|
call CPFEM_init
|
|
call config_deallocate
|
|
|
|
end subroutine CPFEM_initAll
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine CPFEM_init
|
|
|
|
class(tNode), pointer :: &
|
|
debug_CPFEM
|
|
|
|
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
|
|
|
|
allocate(CPFEM_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
|
|
allocate(CPFEM_dcsdE( 6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
|
|
allocate(CPFEM_dcsdE_knownGood(6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
|
|
|
|
!------------------------------------------------------------------------------
|
|
! read debug options
|
|
|
|
debug_CPFEM => config_debug%get('cpfem',defaultVal=emptyList)
|
|
debugCPFEM%basic = debug_CPFEM%contains('basic')
|
|
debugCPFEM%extensive = debug_CPFEM%contains('extensive')
|
|
debugCPFEM%selective = debug_CPFEM%contains('selective')
|
|
debugCPFEM%element = config_debug%get_asInt('element',defaultVal = 1)
|
|
debugCPFEM%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
|
|
|
|
if(debugCPFEM%basic) then
|
|
print'(a32,1x,6(i8,1x))', 'CPFEM_cs: ', shape(CPFEM_cs)
|
|
print'(a32,1x,6(i8,1x))', 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
|
|
print'(a32,1x,6(i8,1x),/)', 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
|
|
flush(IO_STDOUT)
|
|
endif
|
|
|
|
end subroutine CPFEM_init
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief perform initialization at first call, update variables and call the actual material model
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyStress, jacobian)
|
|
|
|
integer(pInt), intent(in) :: elFE, & !< FE element number
|
|
ip !< integration point number
|
|
real(pReal), intent(in) :: dt !< time increment
|
|
real(pReal), dimension (3,3), intent(in) :: ffn, & !< deformation gradient for t=t0
|
|
ffn1 !< deformation gradient for t=t1
|
|
integer(pInt), intent(in) :: mode !< computation mode 1: regular computation plus aging of results
|
|
real(pReal), intent(in) :: temperature_inp !< temperature
|
|
real(pReal), dimension(6), intent(out) :: cauchyStress !< stress as 6 vector
|
|
real(pReal), dimension(6,6), intent(out) :: jacobian !< jacobian as 66 tensor (Consistent tangent dcs/dE)
|
|
|
|
real(pReal) J_inverse, & ! inverse of Jacobian
|
|
rnd
|
|
real(pReal), dimension (3,3) :: Kirchhoff ! Piola-Kirchhoff stress
|
|
real(pReal), dimension (3,3,3,3) :: H_sym, &
|
|
H
|
|
|
|
integer(pInt) elCP, & ! crystal plasticity element number
|
|
i, j, k, l, m, n, ph, homog, mySource
|
|
|
|
real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress if terminallyIll
|
|
ODD_JACOBIAN = 1e50_pReal !< return value for jacobian if terminallyIll
|
|
|
|
|
|
elCP = mesh_FEM2DAMASK_elem(elFE)
|
|
|
|
if (debugCPFEM%basic .and. elCP == debugCPFEM%element .and. ip == debugCPFEM%ip) then
|
|
print'(/,a)', '#############################################'
|
|
print'(a1,a22,1x,i8,a13)', '#','element', elCP, '#'
|
|
print'(a1,a22,1x,i8,a13)', '#','ip', ip, '#'
|
|
print'(a1,a22,1x,i8,a13)', '#','cycleCounter', cycleCounter, '#'
|
|
print'(a1,a22,1x,i8,a13)', '#','computationMode',mode, '#'
|
|
if (terminallyIll) &
|
|
print'(a,/)', '# --- terminallyIll --- #'
|
|
print'(a,/)', '#############################################'; flush (6)
|
|
endif
|
|
|
|
if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) &
|
|
CPFEM_dcsde_knownGood = CPFEM_dcsde
|
|
if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) &
|
|
CPFEM_dcsde = CPFEM_dcsde_knownGood
|
|
|
|
if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) call CPFEM_forward
|
|
|
|
chosenThermal1: select case (thermal_type(material_homogenizationAt(elCP)))
|
|
case (THERMAL_conduction_ID) chosenThermal1
|
|
temperature(material_homogenizationAt(elCP))%p(thermalMapping(material_homogenizationAt(elCP))%p(ip,elCP)) = &
|
|
temperature_inp
|
|
end select chosenThermal1
|
|
homogenization_F0(1:3,1:3,ip,elCP) = ffn
|
|
homogenization_F(1:3,1:3,ip,elCP) = ffn1
|
|
|
|
if (iand(mode, CPFEM_CALCRESULTS) /= 0_pInt) then
|
|
|
|
validCalculation: if (terminallyIll) then
|
|
call random_number(rnd)
|
|
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
|
|
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
|
|
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
|
|
|
|
else validCalculation
|
|
FEsolving_execElem = elCP
|
|
FEsolving_execIP = ip
|
|
if (debugCPFEM%extensive) &
|
|
print'(a,i8,1x,i2)', '<< CPFEM >> calculation for elFE ip ',elFE,ip
|
|
call materialpoint_stressAndItsTangent(dt)
|
|
|
|
terminalIllness: if (terminallyIll) then
|
|
|
|
call random_number(rnd)
|
|
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
|
|
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
|
|
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
|
|
|
|
else terminalIllness
|
|
|
|
! translate from P to sigma
|
|
Kirchhoff = matmul(homogenization_P(1:3,1:3,ip,elCP), transpose(homogenization_F(1:3,1:3,ip,elCP)))
|
|
J_inverse = 1.0_pReal / math_det33(homogenization_F(1:3,1:3,ip,elCP))
|
|
CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.)
|
|
|
|
! translate from dP/dF to dCS/dE
|
|
H = 0.0_pReal
|
|
do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3
|
|
H(i,j,k,l) = H(i,j,k,l) &
|
|
+ homogenization_F(j,m,ip,elCP) * homogenization_F(l,n,ip,elCP) &
|
|
* homogenization_dPdF(i,m,k,n,ip,elCP) &
|
|
- math_delta(j,l) * homogenization_F(i,m,ip,elCP) * homogenization_P(k,m,ip,elCP) &
|
|
+ 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) &
|
|
+ Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k))
|
|
enddo; enddo; enddo; enddo; enddo; enddo
|
|
|
|
forall(i=1:3, j=1:3,k=1:3,l=1:3) &
|
|
H_sym(i,j,k,l) = 0.25_pReal * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k))
|
|
|
|
CPFEM_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.)
|
|
|
|
endif terminalIllness
|
|
endif validCalculation
|
|
|
|
if (debugCPFEM%extensive &
|
|
.and. ((debugCPFEM%element == elCP .and. debugCPFEM%ip == ip) .or. .not. debugCPFEM%selective)) then
|
|
print'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)', &
|
|
'<< CPFEM >> stress/MPa at elFE ip ', elFE, ip, CPFEM_cs(1:6,ip,elCP)*1.0e-6_pReal
|
|
print'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))', &
|
|
'<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
|
|
flush(IO_STDOUT)
|
|
endif
|
|
|
|
endif
|
|
|
|
if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip)
|
|
|
|
cauchyStress = CPFEM_cs (1:6, ip,elCP)
|
|
jacobian = CPFEM_dcsdE(1:6,1:6,ip,elCP)
|
|
|
|
end subroutine CPFEM_general
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Forward data for new time increment.
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine CPFEM_forward
|
|
|
|
call crystallite_forward
|
|
|
|
end subroutine CPFEM_forward
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Trigger writing of results.
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine CPFEM_results(inc,time)
|
|
|
|
integer(pInt), intent(in) :: inc
|
|
real(pReal), intent(in) :: time
|
|
|
|
call results_openJobFile
|
|
call results_addIncrement(inc,time)
|
|
call constitutive_results
|
|
call crystallite_results
|
|
call homogenization_results
|
|
call discretization_results
|
|
call results_finalizeIncrement
|
|
call results_closeJobFile
|
|
|
|
end subroutine CPFEM_results
|
|
|
|
end module CPFEM
|