removed temperature integration and corresponding data structures and debugging options

temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver.
introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver.
went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
This commit is contained in:
Martin Diehl 2013-10-16 13:04:59 +00:00
parent 6a1c40d540
commit dc95c82d4a
18 changed files with 757 additions and 1005 deletions

View File

@ -1,4 +1,4 @@
! Copyright 2011-13 Max-Planck-Institut für Eisenforschung GmbH
!nd Copyright 2011-13 Max-Planck-Institut für Eisenforschung GmbH
!
! This file is part of DAMASK,
! the Düsseldorf Advanced Material Simulation Kit.
@ -37,8 +37,8 @@ module CPFEM
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE_knownGood !< known good tangent
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_calc_done = .false. !< remember whether first IP has already calced the results
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
integer(pInt), parameter, public :: &
CPFEM_CALCRESULTS = 2_pInt**0_pInt, &
CPFEM_AGERESULTS = 2_pInt**1_pInt, &
@ -55,7 +55,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief call (thread safe) all module initializations
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_initAll(Temperature,element,IP)
subroutine CPFEM_initAll(temperature,el,ip)
use prec, only: &
prec_init
use numerics, only: &
@ -83,9 +83,9 @@ subroutine CPFEM_initAll(Temperature,element,IP)
use DAMASK_interface
implicit none
integer(pInt), intent(in) :: element, & ! FE element number
IP ! FE integration point number
real(pReal), intent(in) :: Temperature ! temperature
integer(pInt), intent(in) :: el, & ! FE el number
ip ! FE integration point number
real(pReal), intent(in) :: temperature ! temperature
real(pReal) rnd
integer(pInt) i,n
@ -108,12 +108,12 @@ subroutine CPFEM_initAll(Temperature,element,IP)
call debug_init
call math_init
call FE_init
call mesh_init(IP, element) ! pass on coordinates to alter calcMode of first ip
call mesh_init(ip, el) ! pass on coordinates to alter calcMode of first ip
call lattice_init
call material_init
call constitutive_init
call crystallite_init(Temperature) ! (have to) use temperature of first IP for whole model
call homogenization_init(Temperature)
call crystallite_init(temperature) ! (have to) use temperature of first ip for whole model
call homogenization_init
call CPFEM_init
#ifndef Spectral
call DAMASK_interface_init() ! Spectral solver init is already done
@ -172,7 +172,7 @@ subroutine CPFEM_init
homogenization_state0
implicit none
integer(pInt) i,j,k,l,m
integer(pInt) :: i,j,k,l,m
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
write(6,'(a)') ' $Id$'
@ -243,10 +243,9 @@ subroutine CPFEM_init
endif
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) then
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs)
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
write(6,*)
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs)
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
write(6,*) 'symmetricSolver: ', symmetricSolver
endif
flush(6)
@ -257,81 +256,90 @@ end subroutine CPFEM_init
!--------------------------------------------------------------------------------------------------
!> @brief perform initialization at first call, update variables and call the actual material model
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, Temperature, dt, element, IP, cauchyStress, jacobian)
! note: cauchyStress = Cauchy stress cs(6) and jacobian = Consistent tangent dcs/dE
use numerics, only: defgradTolerance, &
iJacoStiffness
use debug, only: debug_level, &
debug_CPFEM, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_stressMaxLocation, &
debug_stressMinLocation, &
debug_jacobianMaxLocation, &
debug_jacobianMinLocation, &
debug_stressMax, &
debug_stressMin, &
debug_jacobianMax, &
debug_jacobianMin
use FEsolving, only: outdatedFFN1, &
terminallyIll, &
cycleCounter, &
theInc, &
theTime, &
theDelta, &
FEsolving_execElem, &
FEsolving_execIP, &
restartWrite
use math, only: math_identity2nd, &
math_mul33x33, &
math_det33, &
math_transpose33, &
math_I3, &
math_Mandel3333to66, &
math_Mandel66to3333, &
math_Mandel33to6, &
math_Mandel6to33
use mesh, only: mesh_FEasCP, &
mesh_NcpElems, &
mesh_maxNips, &
mesh_element
use material, only: homogenization_maxNgrains, &
microstructure_elemhomo, &
material_phase
use constitutive, only: constitutive_state0,constitutive_state
use crystallite, only: crystallite_partionedF,&
crystallite_F0, &
crystallite_Fp0, &
crystallite_Fp, &
crystallite_Lp0, &
crystallite_Lp, &
crystallite_dPdF0, &
crystallite_dPdF, &
crystallite_Tstar0_v, &
crystallite_Tstar_v
use homogenization, only: homogenization_sizeState, &
homogenization_state, &
homogenization_state0, &
materialpoint_F, &
materialpoint_F0, &
materialpoint_P, &
materialpoint_dPdF, &
materialpoint_results, &
materialpoint_sizeResults, &
materialpoint_Temperature, &
materialpoint_stressAndItsTangent, &
materialpoint_postResults
use IO, only: IO_write_jobRealFile, &
IO_warning
subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature, dt, elFE, ip, cauchyStress, jacobian)
use numerics, only: &
defgradTolerance, &
iJacoStiffness
use debug, only: &
debug_level, &
debug_CPFEM, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_stressMaxLocation, &
debug_stressMinLocation, &
debug_jacobianMaxLocation, &
debug_jacobianMinLocation, &
debug_stressMax, &
debug_stressMin, &
debug_jacobianMax, &
debug_jacobianMin
use FEsolving, only: &
outdatedFFN1, &
terminallyIll, &
cycleCounter, &
theInc, &
theTime, &
theDelta, &
FEsolving_execElem, &
FEsolving_execIP, &
restartWrite
use math, only: &
math_identity2nd, &
math_mul33x33, &
math_det33, &
math_transpose33, &
math_I3, &
math_Mandel3333to66, &
math_Mandel66to3333, &
math_Mandel33to6, &
math_Mandel6to33
use mesh, only: &
mesh_FEasCP, &
mesh_NcpElems, &
mesh_maxNips, &
mesh_element
use material, only: &
homogenization_maxNgrains, &
microstructure_elemhomo, &
material_phase
use constitutive, only: &
constitutive_state0,constitutive_state
use crystallite, only: &
crystallite_partionedF,&
crystallite_F0, &
crystallite_Fp0, &
crystallite_Fp, &
crystallite_Lp0, &
crystallite_Lp, &
crystallite_dPdF0, &
crystallite_dPdF, &
crystallite_Tstar0_v, &
crystallite_Tstar_v, &
crystallite_temperature
use homogenization, only: &
homogenization_sizeState, &
homogenization_state, &
homogenization_state0, &
materialpoint_F, &
materialpoint_F0, &
materialpoint_P, &
materialpoint_dPdF, &
materialpoint_results, &
materialpoint_sizeResults, &
materialpoint_stressAndItsTangent, &
materialpoint_postResults
use IO, only: &
IO_write_jobRealFile, &
IO_warning
use DAMASK_interface
implicit none
integer(pInt), intent(in) :: element, & !< FE element number
IP !< FE integration point number
real(pReal), intent(inout) :: Temperature !< temperature
integer(pInt), intent(in) :: elFE, & !< FE element number
ip !< integration point number
real(pReal), intent(in) :: temperature !< temperature
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
@ -339,7 +347,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, Temperature, dt, el
logical, intent(in) :: parallelExecution !< flag indicating parallel computation of requested IPs
real(pReal), dimension(6), intent(out), optional :: cauchyStress !< stress vector in Mandel notation
real(pReal), dimension(6,6), intent(out), optional :: jacobian !< jacobian in Mandel notation
real(pReal), dimension(6,6), intent(out), optional :: jacobian !< jacobian in Mandel notation (Consistent tangent dcs/dE)
real(pReal) J_inverse, & ! inverse of Jacobian
rnd
@ -348,19 +356,20 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, Temperature, dt, el
real(pReal), dimension (3,3,3,3) :: H_sym, &
H, &
jacobian3333 ! jacobian in Matrix notation
integer(pInt) cp_en, & ! crystal plasticity element number
integer(pInt) elCP, & ! crystal plasticity element number
i, j, k, l, m, n
logical updateJaco ! flag indicating if JAcobian has to be updated
cp_en = mesh_FEasCP('elem',element)
elCP = mesh_FEasCP('elem',elFE)
!if elCP = 0_pInt return ToDo: needed?
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt &
.and. cp_en == debug_e .and. IP == debug_i) then
.and. elCP == debug_e .and. ip == debug_i) then
!$OMP CRITICAL (write2out)
write(6,'(/,a)') '#############################################'
write(6,'(a1,a22,1x,i8,a13)') '#','element', cp_en, '#'
write(6,'(a1,a22,1x,i8,a13)') '#','IP', IP, '#'
write(6,'(a1,a22,1x,i8,a13)') '#','element', elCP, '#'
write(6,'(a1,a22,1x,i8,a13)') '#','ip', ip, '#'
write(6,'(a1,a22,1x,f15.7,a6)') '#','theTime', theTime, '#'
write(6,'(a1,a22,1x,f15.7,a6)') '#','theDelta', theDelta, '#'
write(6,'(a1,a22,1x,i8,a13)') '#','theInc', theInc, '#'
@ -398,9 +407,8 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, Temperature, dt, el
!$OMP CRITICAL (write2out)
write(6,'(a)') '<< CPFEM >> aging states'
if (debug_e <= mesh_NcpElems .and. debug_i <= mesh_maxNips) then
write(6,'(a,1x,i8,1x,i2,1x,i4,/,(12x,6(e20.8,1x)))') '<< CPFEM >> aged state of el ip grain',&
write(6,'(a,1x,i8,1x,i2,1x,i4,/,(12x,6(e20.8,1x)),/)') '<< CPFEM >> aged state of elFE ip grain',&
debug_e, debug_i, 1, constitutive_state(1,debug_i,debug_e)%p
write(6,*)
endif
!$OMP END CRITICAL (write2out)
endif
@ -479,18 +487,18 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, Temperature, dt, el
!* In case that no parallel execution is required, there is no need to collect FEM input
if (.not. parallelExecution) then
materialpoint_Temperature(IP,cp_en) = Temperature
materialpoint_F0(1:3,1:3,IP,cp_en) = ffn
materialpoint_F(1:3,1:3,IP,cp_en) = ffn1
crystallite_temperature(ip,elCP) = temperature
materialpoint_F0(1:3,1:3,ip,elCP) = ffn
materialpoint_F(1:3,1:3,ip,elCP) = ffn1
elseif (iand(mode, CPFEM_COLLECT) /= 0_pInt) then
call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
materialpoint_Temperature(IP,cp_en) = Temperature
materialpoint_F0(1:3,1:3,IP,cp_en) = ffn
materialpoint_F(1:3,1:3,IP,cp_en) = ffn1
CPFEM_cs(1:6,IP,cp_en) = rnd * CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,IP,cp_en) = CPFEM_odd_jacobian * math_identity2nd(6)
crystallite_temperature(ip,elCP) = temperature
materialpoint_F0(1:3,1:3,ip,elCP) = ffn
materialpoint_F(1:3,1:3,ip,elCP) = ffn1
CPFEM_cs(1:6,ip,elCP) = rnd * CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian * math_identity2nd(6)
CPFEM_calc_done = .false.
endif
@ -502,13 +510,13 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, Temperature, dt, el
!*** deformation gradient outdated or any actual deformation gradient differs more than relevantStrain from the stored one
if (terminallyIll .or. outdatedFFN1 .or. any(abs(ffn1 - materialpoint_F(1:3,1:3,IP,cp_en)) > defgradTolerance)) then
if (terminallyIll .or. outdatedFFN1 .or. any(abs(ffn1 - materialpoint_F(1:3,1:3,ip,elCP)) > defgradTolerance)) then
! if (.not. terminallyIll .and. .not. outdatedFFN1) then
if (any(abs(ffn1 - materialpoint_F(1:3,1:3,IP,cp_en)) > defgradTolerance)) then
if (any(abs(ffn1 - materialpoint_F(1:3,1:3,ip,elCP)) > defgradTolerance)) then
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,1x,i8,1x,i2)') '<< CPFEM >> OUTDATED at el ip',cp_en,IP
write(6,'(a,/,3(12x,3(f10.6,1x),/))') '<< CPFEM >> FFN1 old:',math_transpose33(materialpoint_F(1:3,1:3,IP,cp_en))
write(6,'(a,1x,i8,1x,i2)') '<< CPFEM >> OUTDATED at elFE ip',elCP,ip
write(6,'(a,/,3(12x,3(f10.6,1x),/))') '<< CPFEM >> FFN1 old:',math_transpose33(materialpoint_F(1:3,1:3,ip,elCP))
write(6,'(a,/,3(12x,3(f10.6,1x),/))') '<< CPFEM >> FFN1 now:',math_transpose33(ffn1)
!$OMP END CRITICAL (write2out)
endif
@ -516,8 +524,8 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, Temperature, dt, el
endif
call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,IP,cp_en) = rnd*CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,IP,cp_en) = CPFEM_odd_jacobian*math_identity2nd(6)
CPFEM_cs(1:6,ip,elCP) = rnd*CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian*math_identity2nd(6)
!*** deformation gradient is not outdated
@ -525,18 +533,18 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, Temperature, dt, el
else
updateJaco = mod(cycleCounter,iJacoStiffness) == 0
!* no parallel computation, so we use just one single element and IP for computation
!* no parallel computation, so we use just one single elFE and ip for computation
if (.not. parallelExecution) then
FEsolving_execElem(1) = cp_en
FEsolving_execElem(2) = cp_en
if (.not. microstructure_elemhomo(mesh_element(4,cp_en)) .or. & ! calculate unless homogeneous
(microstructure_elemhomo(mesh_element(4,cp_en)) .and. IP == 1_pInt)) then ! and then only first IP
FEsolving_execIP(1,cp_en) = IP
FEsolving_execIP(2,cp_en) = IP
FEsolving_execElem(1) = elCP
FEsolving_execElem(2) = elCP
if (.not. microstructure_elemhomo(mesh_element(4,elCP)) .or. & ! calculate unless homogeneous
(microstructure_elemhomo(mesh_element(4,elCP)) .and. ip == 1_pInt)) then ! and then only first ip
FEsolving_execIP(1,elCP) = ip
FEsolving_execIP(2,elCP) = ip
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for el ip ',cp_en,IP
write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for elFE ip ',elCP,ip
!$OMP END CRITICAL (write2out)
endif
call materialpoint_stressAndItsTangent(updateJaco, dt) ! calculate stress and its tangent
@ -561,98 +569,81 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, Temperature, dt, el
if ( terminallyIll ) then
call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,IP,cp_en) = rnd * CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,IP,cp_en) = CPFEM_odd_jacobian * math_identity2nd(6)
CPFEM_cs(1:6,ip,elCP) = rnd * CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian * math_identity2nd(6)
else
if (microstructure_elemhomo(mesh_element(4,cp_en)) .and. IP > 1_pInt) then ! me homogenous? --> copy from first IP
materialpoint_P(1:3,1:3,IP,cp_en) = materialpoint_P(1:3,1:3,1,cp_en)
materialpoint_F(1:3,1:3,IP,cp_en) = materialpoint_F(1:3,1:3,1,cp_en)
materialpoint_dPdF(1:3,1:3,1:3,1:3,IP,cp_en) = materialpoint_dPdF(1:3,1:3,1:3,1:3,1,cp_en)
materialpoint_results(1:materialpoint_sizeResults,IP,cp_en) = materialpoint_results(1:materialpoint_sizeResults,1,cp_en)
if (microstructure_elemhomo(mesh_element(4,elCP)) .and. ip > 1_pInt) then ! me homogenous? --> copy from first ip
materialpoint_P(1:3,1:3,ip,elCP) = materialpoint_P(1:3,1:3,1,elCP)
materialpoint_F(1:3,1:3,ip,elCP) = materialpoint_F(1:3,1:3,1,elCP)
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,elCP) = materialpoint_dPdF(1:3,1:3,1:3,1:3,1,elCP)
materialpoint_results(1:materialpoint_sizeResults,ip,elCP) = materialpoint_results(1:materialpoint_sizeResults,1,elCP)
endif
! translate from P to CS
Kirchhoff = math_mul33x33(materialpoint_P(1:3,1:3,IP,cp_en), math_transpose33(materialpoint_F(1:3,1:3,IP,cp_en)))
J_inverse = 1.0_pReal / math_det33(materialpoint_F(1:3,1:3,IP,cp_en))
CPFEM_cs(1:6,IP,cp_en) = math_Mandel33to6(J_inverse * Kirchhoff)
Kirchhoff = math_mul33x33(materialpoint_P(1:3,1:3,ip,elCP), math_transpose33(materialpoint_F(1:3,1:3,ip,elCP)))
J_inverse = 1.0_pReal / math_det33(materialpoint_F(1:3,1:3,ip,elCP))
CPFEM_cs(1:6,ip,elCP) = math_Mandel33to6(J_inverse * Kirchhoff)
! 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) + &
materialpoint_F(j,m,IP,cp_en) * &
materialpoint_F(l,n,IP,cp_en) * &
materialpoint_dPdF(i,m,k,n,IP,cp_en) - &
math_I3(j,l) * materialpoint_F(i,m,IP,cp_en) * materialpoint_P(k,m,IP,cp_en) + &
materialpoint_F(j,m,ip,elCP) * &
materialpoint_F(l,n,ip,elCP) * &
materialpoint_dPdF(i,m,k,n,ip,elCP) - &
math_I3(j,l) * materialpoint_F(i,m,ip,elCP) * materialpoint_P(k,m,ip,elCP) + &
0.5_pReal * (math_I3(i,k) * Kirchhoff(j,l) + math_I3(j,l) * Kirchhoff(i,k) + &
math_I3(i,l) * Kirchhoff(j,k) + math_I3(j,k) * Kirchhoff(i,l))
enddo; enddo; enddo; enddo; enddo; enddo
do i=1,3; do j=1,3; do k=1,3; do l=1,3 !< @ToDo use forall
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))
enddo; enddo; enddo; enddo
CPFEM_dcsde(1:6,1:6,IP,cp_en) = math_Mandel3333to66(J_inverse * H_sym)
CPFEM_dcsde(1:6,1:6,ip,elCP) = math_Mandel3333to66(J_inverse * H_sym)
endif
endif
!* remember extreme values of stress and jacobian
cauchyStress33 = math_Mandel6to33(CPFEM_cs(1:6,IP,cp_en))
cauchyStress33 = math_Mandel6to33(CPFEM_cs(1:6,ip,elCP))
if (maxval(cauchyStress33) > debug_stressMax) then
debug_stressMaxLocation = [cp_en, IP]
debug_stressMaxLocation = [elCP, ip]
debug_stressMax = maxval(cauchyStress33)
endif
if (minval(cauchyStress33) < debug_stressMin) then
debug_stressMinLocation = [cp_en, IP]
debug_stressMinLocation = [elCP, ip]
debug_stressMin = minval(cauchyStress33)
endif
jacobian3333 = math_Mandel66to3333(CPFEM_dcsdE(1:6,1:6,IP,cp_en))
jacobian3333 = math_Mandel66to3333(CPFEM_dcsdE(1:6,1:6,ip,elCP))
if (maxval(jacobian3333) > debug_jacobianMax) then
debug_jacobianMaxLocation = [cp_en, IP]
debug_jacobianMaxLocation = [elCP, ip]
debug_jacobianMax = maxval(jacobian3333)
endif
if (minval(jacobian3333) < debug_jacobianMin) then
debug_jacobianMinLocation = [cp_en, IP]
debug_jacobianMinLocation = [elCP, ip]
debug_jacobianMin = minval(jacobian3333)
endif
!* report stress and stiffness
if ((iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
.and. ((debug_e == cp_en .and. debug_i == IP) &
.and. ((debug_e == elCP .and. debug_i == ip) &
.or. .not. iand(debug_level(debug_CPFEM), debug_levelSelective) /= 0_pInt)) then
!$OMP CRITICAL (write2out)
write(6,'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)') '<< CPFEM >> stress/MPa at el ip ', &
cp_en, IP, CPFEM_cs(1:6,IP,cp_en)/1.0e6_pReal
write(6,'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))') '<< CPFEM >> Jacobian/GPa at el ip ', &
cp_en, IP, transpose(CPFEM_dcsdE(1:6,1:6,IP,cp_en))/1.0e9_pReal
write(6,'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)') '<< CPFEM >> stress/MPa at elFE ip ', &
elCP, ip, CPFEM_cs(1:6,ip,elCP)/1.0e6_pReal
write(6,'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))') '<< CPFEM >> Jacobian/GPa at elFE ip ', &
elCP, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))/1.0e9_pReal
flush(6)
!$OMP END CRITICAL (write2out)
endif
endif
!*** homogenized result except for potentially non-isothermal starting condition
if (theTime > 0.0_pReal) then
Temperature = materialpoint_Temperature(IP,cp_en)
endif
!*** warn if stiffness close to zero
if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip)
if (all(abs(CPFEM_dcsdE(1:6,1:6,IP,cp_en)) < 1e-10_pReal)) then
call IO_warning(601,cp_en,IP)
endif
!*** copy to output if required (FEM solver)
if(present(cauchyStress)) cauchyStress = CPFEM_cs(1:6,IP,cp_en)
if(present(jacobian)) jacobian = CPFEM_dcsdE(1:6,1:6,IP,cp_en)
if(present(cauchyStress)) cauchyStress = CPFEM_cs(1:6,ip,elCP)
if(present(jacobian)) jacobian = CPFEM_dcsdE(1:6,1:6,ip,elCP)
end subroutine CPFEM_general

View File

@ -151,7 +151,7 @@ program DAMASK_spectral_Driver
external :: quit
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll(temperature = 300.0_pReal, element = 1_pInt, IP= 1_pInt)
call CPFEM_initAll(temperature = 300.0_pReal, el = 1_pInt, ip = 1_pInt)
write(6,'(/,a)') ' <<<+- DAMASK_spectral_driver init -+>>>'
write(6,'(a)') ' $Id$'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()

View File

@ -819,10 +819,11 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,temperature,timeinc,&
CPFEM_AGERESULTS, &
CPFEM_BACKUPJACOBIAN, &
CPFEM_RESTOREJACOBIAN
use crystallite, only: &
crystallite_temperature
use homogenization, only: &
materialpoint_F0, &
materialpoint_F, &
materialpoint_Temperature, &
materialpoint_P, &
materialpoint_dPdF
@ -864,7 +865,7 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,temperature,timeinc,&
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid)])
materialpoint_F = reshape(F, [3,3,1,product(grid)])
materialpoint_Temperature = temperature
crystallite_temperature = temperature
call debug_reset()

View File

@ -66,7 +66,7 @@ module constitutive
constitutive_TandItsTangent, &
constitutive_collectDotState, &
constitutive_collectDeltaState, &
constitutive_dotTemperature, &
constitutive_heat, &
constitutive_postResults
private :: &
@ -463,12 +463,24 @@ pure function constitutive_homogenizedC(ipc,ip,el)
use material, only: &
phase_plasticity, &
material_phase
use constitutive_none
use constitutive_j2
use constitutive_phenopowerlaw
use constitutive_titanmod
use constitutive_dislotwin
use constitutive_nonlocal
use constitutive_none, only: &
CONSTITUTIVE_NONE_label, &
constitutive_none_homogenizedC
use constitutive_j2, only: &
CONSTITUTIVE_J2_label, &
constitutive_j2_homogenizedC
use constitutive_phenopowerlaw, only: &
CONSTITUTIVE_PHENOPOWERLAW_label, &
constitutive_phenopowerlaw_homogenizedC
use constitutive_titanmod, only: &
CONSTITUTIVE_TITANMOD_label, &
constitutive_titanmod_homogenizedC
use constitutive_dislotwin, only: &
CONSTITUTIVE_DISLOTWIN_label, &
constitutive_dislotwin_homogenizedC
use constitutive_nonlocal, only: &
CONSTITUTIVE_NONLOCAL_label, &
constitutive_nonlocal_homogenizedC
implicit none
real(pReal), dimension(6,6) :: constitutive_homogenizedC
@ -480,13 +492,16 @@ pure function constitutive_homogenizedC(ipc,ip,el)
select case (phase_plasticity(material_phase(ipc,ip,el)))
case (constitutive_none_label)
constitutive_homogenizedC = constitutive_none_homogenizedC(constitutive_state,ipc,ip,el)
constitutive_homogenizedC = constitutive_none_homogenizedC(ipc,ip,el)
case (constitutive_j2_label)
constitutive_homogenizedC = constitutive_j2_homogenizedC(constitutive_state,ipc,ip,el)
constitutive_homogenizedC = constitutive_j2_homogenizedC(ipc,ip,el)
case (constitutive_phenopowerlaw_label)
constitutive_homogenizedC = constitutive_phenopowerlaw_homogenizedC(constitutive_state,ipc,ip,el)
constitutive_homogenizedC = constitutive_phenopowerlaw_homogenizedC(ipc,ip,el)
case (constitutive_nonlocal_label)
constitutive_homogenizedC = constitutive_nonlocal_homogenizedC(ipc,ip,el)
case (constitutive_titanmod_label)
constitutive_homogenizedC = constitutive_titanmod_homogenizedC(constitutive_state,ipc,ip,el)
@ -494,9 +509,6 @@ pure function constitutive_homogenizedC(ipc,ip,el)
case (constitutive_dislotwin_label)
constitutive_homogenizedC = constitutive_dislotwin_homogenizedC(constitutive_state,ipc,ip,el)
case (constitutive_nonlocal_label)
constitutive_homogenizedC = constitutive_nonlocal_homogenizedC(constitutive_state,ipc,ip,el)
end select
end function constitutive_homogenizedC
@ -505,7 +517,7 @@ end function constitutive_homogenizedC
!--------------------------------------------------------------------------------------------------
!> @brief calls microstructure function of the different constitutive models
!--------------------------------------------------------------------------------------------------
subroutine constitutive_microstructure(Temperature, Fe, Fp, ipc, ip, el)
subroutine constitutive_microstructure(temperature, Fe, Fp, ipc, ip, el)
use material, only: &
phase_plasticity, &
material_phase
@ -525,7 +537,7 @@ subroutine constitutive_microstructure(Temperature, Fe, Fp, ipc, ip, el)
ip, & !< integration point number
el !< element number
real(pReal), intent(in) :: &
Temperature
temperature
real(pReal), intent(in), dimension(3,3) :: &
Fe, & !< elastic deformation gradient
Fp !< plastic deformation gradient
@ -533,13 +545,13 @@ subroutine constitutive_microstructure(Temperature, Fe, Fp, ipc, ip, el)
select case (phase_plasticity(material_phase(ipc,ip,el)))
case (constitutive_titanmod_label)
call constitutive_titanmod_microstructure(Temperature,constitutive_state,ipc,ip,el)
call constitutive_titanmod_microstructure(temperature,constitutive_state,ipc,ip,el)
case (constitutive_dislotwin_label)
call constitutive_dislotwin_microstructure(Temperature,constitutive_state,ipc,ip,el)
call constitutive_dislotwin_microstructure(temperature,constitutive_state,ipc,ip,el)
case (constitutive_nonlocal_label)
call constitutive_nonlocal_microstructure(constitutive_state, Temperature, Fe, Fp, ipc,ip,el)
call constitutive_nonlocal_microstructure(constitutive_state,Fe,Fp,ipc,ip,el)
end select
@ -549,13 +561,14 @@ end subroutine constitutive_microstructure
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, ipc, ip, el)
subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, temperature, ipc, ip, el)
use math, only: &
math_identity2nd
use material, only: &
phase_plasticity, &
material_phase
use constitutive_none, only: &
constitutive_none_label, &
constitutive_none_LpAndItsTangent
constitutive_none_label
use constitutive_j2, only: &
constitutive_j2_label, &
constitutive_j2_LpAndItsTangent
@ -589,22 +602,23 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, ip
select case (phase_plasticity(material_phase(ipc,ip,el)))
case (constitutive_none_label)
call constitutive_none_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,constitutive_state,ipc,ip,el)
Lp = 0.0_pReal
dLp_dTstar = math_identity2nd(9)
case (constitutive_j2_label)
call constitutive_j2_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,constitutive_state,ipc,ip,el)
call constitutive_j2_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,constitutive_state,ipc,ip,el)
case (constitutive_phenopowerlaw_label)
call constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,constitutive_state,ipc,ip,el)
call constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,constitutive_state,ipc,ip,el)
case (constitutive_titanmod_label)
call constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,constitutive_state,ipc,ip,el)
call constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,temperature,constitutive_state,ipc,ip,el)
case (constitutive_dislotwin_label)
call constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,constitutive_state,ipc,ip,el)
call constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,temperature,constitutive_state,ipc,ip,el)
case (constitutive_nonlocal_label)
call constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, constitutive_state(ipc,ip,el), ipc,ip,el)
call constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, temperature, constitutive_state(ipc,ip,el), ipc,ip,el)
end select
@ -744,10 +758,10 @@ subroutine constitutive_collectDotState(Tstar_v, Fe, Fp, Temperature, subdt, sub
constitutive_dotState(ipc,ip,el)%p = 0.0_pReal !ToDo: needed or will it remain zero anyway?
case (constitutive_j2_label)
constitutive_dotState(ipc,ip,el)%p = constitutive_j2_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el)
constitutive_dotState(ipc,ip,el)%p = constitutive_j2_dotState(Tstar_v,constitutive_state,ipc,ip,el)
case (constitutive_phenopowerlaw_label)
constitutive_dotState(ipc,ip,el)%p = constitutive_phenopowerlaw_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el)
constitutive_dotState(ipc,ip,el)%p = constitutive_phenopowerlaw_dotState(Tstar_v,constitutive_state,ipc,ip,el)
case (constitutive_titanmod_label)
constitutive_dotState(ipc,ip,el)%p = constitutive_titanmod_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el)
@ -778,7 +792,7 @@ end subroutine constitutive_collectDotState
!> @brief contains the constitutive equation for calculating the incremental change of
!> microstructure based on the current stress and state
!--------------------------------------------------------------------------------------------------
subroutine constitutive_collectDeltaState(Tstar_v, Temperature, ipc, ip, el)
subroutine constitutive_collectDeltaState(Tstar_v, ipc, ip, el)
use prec, only: &
pLongInt
use debug, only: &
@ -799,8 +813,6 @@ subroutine constitutive_collectDeltaState(Tstar_v, Temperature, ipc, ip, el)
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(in) :: &
Temperature
real(pReal), intent(in), dimension(6) :: &
Tstar_v !< 2nd Piola-Kirchhoff stress
integer(pLongInt) :: &
@ -814,7 +826,7 @@ subroutine constitutive_collectDeltaState(Tstar_v, Temperature, ipc, ip, el)
select case (phase_plasticity(material_phase(ipc,ip,el)))
case (constitutive_nonlocal_label)
call constitutive_nonlocal_deltaState(constitutive_deltaState(ipc,ip,el),constitutive_state, Tstar_v,Temperature,ipc,ip,el)
call constitutive_nonlocal_deltaState(constitutive_deltaState(ipc,ip,el),constitutive_state, Tstar_v,ipc,ip,el)
case default
constitutive_deltaState(ipc,ip,el)%p = 0.0_pReal !ToDo: needed or will it remain zero anyway?
@ -837,7 +849,7 @@ end subroutine constitutive_collectDeltaState
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
real(pReal) function constitutive_dotTemperature(Tstar_v,Temperature,ipc,ip,el)
real(pReal) function constitutive_heat(Tstar_v,Temperature,ipc,ip,el)
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
@ -847,14 +859,16 @@ real(pReal) function constitutive_dotTemperature(Tstar_v,Temperature,ipc,ip,el)
Temperature
real(pReal), intent(in), dimension(6) :: &
Tstar_v !< 2nd Piola-Kirchhoff stress
constitutive_dotTemperature = 0.0_pReal
end function constitutive_dotTemperature
constitutive_heat = 0.0_pReal
end function constitutive_heat
!--------------------------------------------------------------------------------------------------
!> @brief returns array of constitutive results
!--------------------------------------------------------------------------------------------------
function constitutive_postResults(Tstar_v, Fe, Temperature, dt, ipc, ip, el)
function constitutive_postResults(Tstar_v, Fe, temperature, ipc, ip, el)
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
@ -888,8 +902,7 @@ function constitutive_postResults(Tstar_v, Fe, Temperature, dt, ipc, ip, el)
real(pReal), dimension(constitutive_sizePostResults(ipc,ip,el)) :: &
constitutive_postResults
real(pReal), intent(in) :: &
Temperature, &
dt !< timestep
temperature
real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
Fe !< elastic deformation gradient
real(pReal), intent(in), dimension(6) :: &
@ -902,20 +915,20 @@ function constitutive_postResults(Tstar_v, Fe, Temperature, dt, ipc, ip, el)
case (constitutive_none_label)
constitutive_postResults = 0.0_pReal
case (constitutive_titanmod_label)
constitutive_postResults = constitutive_titanmod_postResults(constitutive_state,ipc,ip,el)
case (constitutive_j2_label)
constitutive_postResults = constitutive_j2_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el)
constitutive_postResults = constitutive_j2_postResults(Tstar_v,constitutive_state,ipc,ip,el)
case (constitutive_phenopowerlaw_label)
constitutive_postResults = constitutive_phenopowerlaw_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el)
case (constitutive_titanmod_label)
constitutive_postResults = constitutive_titanmod_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el)
constitutive_postResults = constitutive_phenopowerlaw_postResults(Tstar_v,constitutive_state,ipc,ip,el)
case (constitutive_dislotwin_label)
constitutive_postResults = constitutive_dislotwin_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el)
constitutive_postResults = constitutive_dislotwin_postResults(Tstar_v,Temperature,constitutive_state,ipc,ip,el)
case (constitutive_nonlocal_label)
constitutive_postResults = constitutive_nonlocal_postResults(Tstar_v, Fe, Temperature, dt, constitutive_state, &
constitutive_postResults = constitutive_nonlocal_postResults(Tstar_v, Fe, constitutive_state, &
constitutive_dotstate(ipc,ip,el), ipc, ip, el)
end select

View File

@ -934,10 +934,10 @@ pure function constitutive_dislotwin_homogenizedC(state,ipc,ip,el)
sumf = sum(state(ipc,ip,el)%p((3_pInt*ns+1_pInt):(3_pInt*ns+nt))) ! safe for nt == 0
!* Homogenized elasticity matrix
constitutive_dislotwin_homogenizedC = (1.0_pReal-sumf)*constitutive_dislotwin_Cslip_66(:,:,matID)
constitutive_dislotwin_homogenizedC = (1.0_pReal-sumf)*constitutive_dislotwin_Cslip_66(1:6,1:6,matID)
do i=1_pInt,nt
constitutive_dislotwin_homogenizedC = &
constitutive_dislotwin_homogenizedC + state(ipc,ip,el)%p(3_pInt*ns+i)*constitutive_dislotwin_Ctwin_66(:,:,i,matID)
constitutive_dislotwin_homogenizedC + state(ipc,ip,el)%p(3_pInt*ns+i)*constitutive_dislotwin_Ctwin_66(1:6,1:6,i,matID)
enddo
end function constitutive_dislotwin_homogenizedC
@ -945,7 +945,7 @@ pure function constitutive_dislotwin_homogenizedC(state,ipc,ip,el)
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
subroutine constitutive_dislotwin_microstructure(Temperature,state,ipc,ip,el)
subroutine constitutive_dislotwin_microstructure(temperature,state,ipc,ip,el)
use prec, only: &
p_vec
use math, only: &
@ -1529,7 +1529,7 @@ end function constitutive_dislotwin_dotState
!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results
!--------------------------------------------------------------------------------------------------
function constitutive_dislotwin_postResults(Tstar_v,Temperature,dt,state,ipc,ip,el)
function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
use prec, only: &
p_vec
use math, only: &
@ -1558,8 +1558,7 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,dt,state,ipc,ip,
real(pReal), dimension(6), intent(in) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature, & !< temperature at integration point
dt
temperature !< temperature at integration point
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point

View File

@ -340,9 +340,7 @@ end function constitutive_j2_aTolState
!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix
!--------------------------------------------------------------------------------------------------
pure function constitutive_j2_homogenizedC(state,ipc,ip,el)
use prec, only: &
p_vec
pure function constitutive_j2_homogenizedC(ipc,ip,el)
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
@ -358,8 +356,6 @@ pure function constitutive_j2_homogenizedC(state,ipc,ip,el)
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state !< microstructure state
constitutive_j2_homogenizedC = constitutive_j2_Cslip_66(1:6,1:6,&
phase_plasticityInstance(material_phase(ipc,ip,el)))
@ -370,8 +366,7 @@ end function constitutive_j2_homogenizedC
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!--------------------------------------------------------------------------------------------------
pure subroutine constitutive_j2_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
temperature,state,ipc,ip,el)
pure subroutine constitutive_j2_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,state,ipc,ip,el)
use prec, only: &
p_vec
use math, only: &
@ -396,8 +391,6 @@ pure subroutine constitutive_j2_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
real(pReal), dimension(6), intent(in) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature !< temperature at IP
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -449,7 +442,7 @@ end subroutine constitutive_j2_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
pure function constitutive_j2_dotState(Tstar_v,temperature,state,ipc,ip,el)
pure function constitutive_j2_dotState(Tstar_v,state,ipc,ip,el)
use prec, only: &
p_vec
use math, only: &
@ -467,8 +460,6 @@ pure function constitutive_j2_dotState(Tstar_v,temperature,state,ipc,ip,el)
constitutive_j2_dotState
real(pReal), dimension(6), intent(in):: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature !< temperature at integration point
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -533,7 +524,7 @@ end function constitutive_j2_dotState
!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results
!--------------------------------------------------------------------------------------------------
pure function constitutive_j2_postResults(Tstar_v,temperature,dt,state,ipc,ip,el)
pure function constitutive_j2_postResults(Tstar_v,state,ipc,ip,el)
use prec, only: &
p_vec
use math, only: &
@ -550,9 +541,6 @@ pure function constitutive_j2_postResults(Tstar_v,temperature,dt,state,ipc,ip,el
implicit none
real(pReal), dimension(6), intent(in) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature, & !< temperature at integration point
dt
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point

View File

@ -49,8 +49,7 @@ module constitutive_none
public :: &
constitutive_none_init, &
constitutive_none_homogenizedC, &
constitutive_none_LpAndItsTangent
constitutive_none_homogenizedC
contains
@ -185,7 +184,7 @@ end subroutine constitutive_none_init
!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix
!--------------------------------------------------------------------------------------------------
pure function constitutive_none_homogenizedC(state,ipc,ip,el)
pure function constitutive_none_homogenizedC(ipc,ip,el)
use prec, only: &
p_vec
use mesh, only: &
@ -203,51 +202,10 @@ pure function constitutive_none_homogenizedC(state,ipc,ip,el)
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state !< microstructure state
constitutive_none_homogenizedC = constitutive_none_Cslip_66(1:6,1:6,&
phase_plasticityInstance(material_phase(ipc,ip,el)))
end function constitutive_none_homogenizedC
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!> @details dummy function, returns 0.0 and Identity
!--------------------------------------------------------------------------------------------------
pure subroutine constitutive_none_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_dev_v, &
temperature, state, ipc, ip, el)
use prec, only: &
p_vec
use math, only: &
math_identity2nd
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_maxNgrains, &
material_phase, &
phase_plasticityInstance
implicit none
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(9,9), intent(out) :: &
dLp_dTstar99 !< derivative of Lp with respect to 2nd Piola Kirchhoff stress
real(pReal), dimension(6), intent(in) :: &
Tstar_dev_v !< deviatoric part of 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature !< temperature at IP
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state !< microstructure state
Lp = 0.0_pReal ! set Lp to zero
dLp_dTstar99 = math_identity2nd(9) ! set dLp_dTstar to Identity
end subroutine constitutive_none_LpAndItsTangent
end module constitutive_none

View File

@ -45,30 +45,30 @@ character (len=*), parameter, public :: &
CONSTITUTIVE_NONLOCAL_LABEL = 'nonlocal'
character(len=22), dimension(11), parameter, private :: &
BASICSTATES = (/'rhoSglEdgePosMobile ', &
'rhoSglEdgeNegMobile ', &
'rhoSglScrewPosMobile ', &
'rhoSglScrewNegMobile ', &
'rhoSglEdgePosImmobile ', &
'rhoSglEdgeNegImmobile ', &
'rhoSglScrewPosImmobile', &
'rhoSglScrewNegImmobile', &
'rhoDipEdge ', &
'rhoDipScrew ', &
'accumulatedshear ' /) !< list of "basic" microstructural state variables that are independent from other state variables
BASICSTATES = ['rhoSglEdgePosMobile ', &
'rhoSglEdgeNegMobile ', &
'rhoSglScrewPosMobile ', &
'rhoSglScrewNegMobile ', &
'rhoSglEdgePosImmobile ', &
'rhoSglEdgeNegImmobile ', &
'rhoSglScrewPosImmobile', &
'rhoSglScrewNegImmobile', &
'rhoDipEdge ', &
'rhoDipScrew ', &
'accumulatedshear ' ] !< list of "basic" microstructural state variables that are independent from other state variables
character(len=16), dimension(3), parameter, private :: &
DEPENDENTSTATES = (/'rhoForest ', &
'tauThreshold ', &
'tauBack ' /) !< list of microstructural state variables that depend on other state variables
DEPENDENTSTATES = ['rhoForest ', &
'tauThreshold ', &
'tauBack ' ] !< list of microstructural state variables that depend on other state variables
character(len=20), dimension(6), parameter, private :: &
OTHERSTATES = (/'velocityEdgePos ', &
'velocityEdgeNeg ', &
'velocityScrewPos ', &
'velocityScrewNeg ', &
'maxDipoleHeightEdge ', &
'maxDipoleHeightScrew' /) !< list of other dependent state variables that are not updated by microstructure
OTHERSTATES = ['velocityEdgePos ', &
'velocityEdgeNeg ', &
'velocityScrewPos ', &
'velocityScrewNeg ', &
'maxDipoleHeightEdge ', &
'maxDipoleHeightScrew' ] !< list of other dependent state variables that are not updated by microstructure
real(pReal), parameter, private :: &
KB = 1.38e-23_pReal !< Physical parameter, Boltzmann constant in J/Kelvin
@ -1200,30 +1200,25 @@ end function constitutive_nonlocal_aTolState
!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix
!--------------------------------------------------------------------------------------------------
pure function constitutive_nonlocal_homogenizedC(state,g,ip,el)
pure function constitutive_nonlocal_homogenizedC(ipc,ip,el)
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_maxNgrains, &
material_phase, &
phase_plasticityInstance
use mesh, only: mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_maxNgrains, &
material_phase, &
phase_plasticityInstance
implicit none
implicit none
integer(pInt), intent(in) :: &
ipc, & ! current grain ID
ip, & ! current integration point
el ! current element
real(pReal), dimension(6,6) :: &
constitutive_nonlocal_homogenizedC
!*** input variables
integer(pInt), intent(in) :: g, & ! current grain ID
ip, & ! current integration point
el ! current element
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: state ! microstructural state
!*** output variables
real(pReal), dimension(6,6) :: constitutive_nonlocal_homogenizedC ! homogenized elasticity matrix
!*** local variables
integer(pInt) :: matID ! current instance of this plasticity
matID = phase_plasticityInstance(material_phase(g,ip,el))
constitutive_nonlocal_homogenizedC = Cslip66(1:6,1:6,matID)
constitutive_nonlocal_homogenizedC = &
Cslip66(1:6,1:6,phase_plasticityInstance(material_phase(ipc,ip,el)))
end function constitutive_nonlocal_homogenizedC
@ -1231,7 +1226,7 @@ end function constitutive_nonlocal_homogenizedC
!--------------------------------------------------------------------------------------------------
!> @brief calculates quantities characterizing the microstructure
!--------------------------------------------------------------------------------------------------
subroutine constitutive_nonlocal_microstructure(state, Temperature, Fe, Fp, gr, ip, el)
subroutine constitutive_nonlocal_microstructure(state, Fe, Fp, gr, ip, el)
use IO, only: &
IO_error
@ -1279,7 +1274,6 @@ implicit none
integer(pInt), intent(in) :: gr, & ! current grain ID
ip, & ! current integration point
el ! current element
real(pReal), intent(in) :: Temperature ! temperature
real(pReal), dimension(3,3), intent(in) :: &
Fe, & ! elastic deformation gradient
Fp ! elastic deformation gradient
@ -1547,7 +1541,7 @@ end subroutine constitutive_nonlocal_microstructure
!> @brief calculates kinetics
!--------------------------------------------------------------------------------------------------
subroutine constitutive_nonlocal_kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, &
tauThreshold, c, Temperature, g, ip, el)
tauThreshold, c, Temperature, ipc, ip, el)
use debug, only: debug_level, &
debug_constitutive, &
@ -1563,18 +1557,18 @@ use material, only: material_phase, &
implicit none
!*** input variables
integer(pInt), intent(in) :: g, & !< current grain number
integer(pInt), intent(in) :: ipc, & !< current grain number
ip, & !< current integration point
el, & !< current element number
c !< dislocation character (1:edge, 2:screw)
real(pReal), intent(in) :: Temperature !< temperature
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el)))), &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))), &
intent(in) :: tau, & !< resolved external shear stress (without non Schmid effects)
tauNS, & !< resolved external shear stress (including non Schmid effects)
tauThreshold !< threshold shear stress
!*** output variables
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el)))), &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))), &
intent(out) :: v, & !< velocity
dv_dtau, & !< velocity derivative with respect to resolved shear stress (without non Schmid contributions)
dv_dtauNS !< velocity derivative with respect to resolved shear stress (including non Schmid contributions)
@ -1606,7 +1600,7 @@ real(pReal) tauRel_P, &
mobility !< dislocation mobility
instance = phase_plasticityInstance(material_phase(g,ip,el))
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
ns = totalNslip(instance)
v = 0.0_pReal
@ -1689,10 +1683,10 @@ endif
#ifndef _OPENMP
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt)) then
write(6,*)
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_kinetics at el ip g',el,ip,g
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_kinetics at el ip ipc',el,ip,ipc
write(6,*)
write(6,'(a,/,12x,12(f12.5,1x))') '<< CONST >> tauThreshold / MPa', tauThreshold / 1e6_pReal
write(6,'(a,/,12x,12(f12.5,1x))') '<< CONST >> tau / MPa', tau / 1e6_pReal
@ -1709,7 +1703,7 @@ end subroutine constitutive_nonlocal_kinetics
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!--------------------------------------------------------------------------------------------------
subroutine constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar99, Tstar_v, Temperature, state, g, ip, el)
subroutine constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar99, Tstar_v, Temperature, state, ipc, ip, el)
use math, only: math_Plain3333to99, &
math_mul6x6, &
@ -1733,7 +1727,7 @@ use mesh, only: mesh_ipVolume
implicit none
!*** input variables
integer(pInt), intent(in) :: g, & !< current grain number
integer(pInt), intent(in) :: ipc, & !< current grain number
ip, & !< current integration point
el !< current element number
real(pReal), intent(in) :: Temperature !< temperature
@ -1758,14 +1752,14 @@ integer(pInt) matID, & !< current in
s, & !< index of my current slip system
sLattice !< index of my current slip system according to lattice order
real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 !< derivative of Lp with respect to Tstar (3x3x3x3 matrix)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),8) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),8) :: &
rhoSgl !< single dislocation densities (including blocked)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),4) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),4) :: &
v, & !< velocity
tauNS, & !< resolved shear stress including non Schmid and backstress terms
dv_dtau, & !< velocity derivative with respect to the shear stress
dv_dtauNS !< velocity derivative with respect to the shear stress
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el)))) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
tau, & !< resolved shear stress including backstress terms
gdotTotal, & !< shear rate
tauBack, & !< back stress from dislocation gradients on same slip system
@ -1777,7 +1771,7 @@ real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,e
Lp = 0.0_pReal
dLp_dTstar3333 = 0.0_pReal
matID = phase_plasticityInstance(material_phase(g,ip,el))
matID = phase_plasticityInstance(material_phase(ipc,ip,el))
structID = constitutive_nonlocal_structure(matID)
ns = totalNslip(matID)
@ -1823,7 +1817,7 @@ tau = tau + tauBack
! edges
call constitutive_nonlocal_kinetics(v(1:ns,1), dv_dtau(1:ns,1), dv_dtauNS(1:ns,1), &
tau(1:ns), tauNS(1:ns,1), tauThreshold(1:ns), &
1_pInt, Temperature, g, ip, el)
1_pInt, Temperature, ipc, ip, el)
v(1:ns,2) = v(1:ns,1)
dv_dtau(1:ns,2) = dv_dtau(1:ns,1)
dv_dtauNS(1:ns,2) = dv_dtauNS(1:ns,1)
@ -1839,7 +1833,7 @@ else
do t = 3_pInt,4_pInt
call constitutive_nonlocal_kinetics(v(1:ns,t), dv_dtau(1:ns,t), dv_dtauNS(1:ns,t), &
tau(1:ns), tauNS(1:ns,t), tauThreshold(1:ns), &
2_pInt , Temperature, g, ip, el)
2_pInt , Temperature, ipc, ip, el)
enddo
endif
@ -1892,10 +1886,10 @@ dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333)
#ifndef _OPENMP
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt )) then
write(6,*)
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_LpandItsTangent at el ip g ',el,ip,g
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_LpandItsTangent at el ip ipc ',el,ip,ipc
write(6,*)
write(6,'(a,/,12x,12(f12.5,1x))') '<< CONST >> gdot total / 1e-3',gdotTotal*1e3_pReal
write(6,'(a,/,3(12x,3(f12.7,1x),/))') '<< CONST >> Lp',transpose(Lp)
@ -1908,7 +1902,7 @@ end subroutine constitutive_nonlocal_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief (instantaneous) incremental change of microstructure
!--------------------------------------------------------------------------------------------------
subroutine constitutive_nonlocal_deltaState(deltaState, state, Tstar_v, Temperature, g,ip,el)
subroutine constitutive_nonlocal_deltaState(deltaState, state, Tstar_v, ipc,ip,el)
use debug, only: debug_level, &
debug_constitutive, &
@ -1931,10 +1925,9 @@ use material, only: homogenization_maxNgrains, &
implicit none
!*** input variables
integer(pInt), intent(in) :: g, & ! current grain number
integer(pInt), intent(in) :: ipc, & ! current grain number
ip, & ! current integration point
el ! current element number
real(pReal), intent(in) :: Temperature ! temperature
real(pReal), dimension(6), intent(in) :: Tstar_v ! current 2nd Piola-Kirchhoff stress in Mandel notation
!*** input/output variables
@ -1952,18 +1945,18 @@ integer(pInt) matID, & ! current insta
t, & ! type of dislocation
s, & ! index of my current slip system
sLattice ! index of my current slip system according to lattice order
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),10) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),10) :: &
deltaRho, & ! density increment
deltaRhoRemobilization, & ! density increment by remobilization
deltaRhoDipole2SingleStress ! density increment by dipole dissociation (by stress change)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),8) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),8) :: &
rhoSgl ! current single dislocation densities (positive/negative screw and edge without dipoles)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),4) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),4) :: &
v ! dislocation glide velocity
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el)))) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
tau, & ! current resolved shear stress
tauBack ! current back stress from pileups on same slip system
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),2) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),2) :: &
rhoDip, & ! current dipole dislocation densities (screw and edge dipoles)
dLower, & ! minimum stable dipole distance for edges and screws
dUpper, & ! current maximum stable dipole distance for edges and screws
@ -1973,15 +1966,15 @@ real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,e
#ifndef _OPENMP
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt)) then
write(6,*)
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_deltaState at el ip g ',el,ip,g
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_deltaState at el ip ipc ',el,ip,ipc
write(6,*)
endif
#endif
matID = phase_plasticityInstance(material_phase(g,ip,el))
matID = phase_plasticityInstance(material_phase(ipc,ip,el))
structID = constitutive_nonlocal_structure(matID)
ns = totalNslip(matID)
@ -1990,15 +1983,15 @@ ns = totalNslip(matID)
forall (s = 1_pInt:ns, t = 1_pInt:4_pInt)
rhoSgl(s,t) = max(state(g,ip,el)%p(iRhoU(s,t,matID)), 0.0_pReal) ! ensure positive single mobile densities
rhoSgl(s,t+4_pInt) = state(g,ip,el)%p(iRhoB(s,t,matID))
v(s,t) = state(g,ip,el)%p(iV(s,t,matID))
rhoSgl(s,t) = max(state(ipc,ip,el)%p(iRhoU(s,t,matID)), 0.0_pReal) ! ensure positive single mobile densities
rhoSgl(s,t+4_pInt) = state(ipc,ip,el)%p(iRhoB(s,t,matID))
v(s,t) = state(ipc,ip,el)%p(iV(s,t,matID))
endforall
forall (s = 1_pInt:ns, c = 1_pInt:2_pInt)
rhoDip(s,c) = max(state(g,ip,el)%p(iRhoD(s,c,matID)), 0.0_pReal) ! ensure positive dipole densities
dUpperOld(s,c) = state(g,ip,el)%p(iD(s,c,matID))
rhoDip(s,c) = max(state(ipc,ip,el)%p(iRhoD(s,c,matID)), 0.0_pReal) ! ensure positive dipole densities
dUpperOld(s,c) = state(ipc,ip,el)%p(iD(s,c,matID))
endforall
tauBack = state(g,ip,el)%p(iTauB(1:ns,matID))
tauBack = state(ipc,ip,el)%p(iTauB(1:ns,matID))
where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < significantN(matID) &
.or. abs(rhoSgl) < significantRho(matID)) &
@ -2063,7 +2056,7 @@ forall (t=1_pInt:4_pInt) &
!*** store new maximum dipole height in state
forall (s = 1_pInt:ns, c = 1_pInt:2_pInt) &
state(g,ip,el)%p(iD(s,c,matID)) = dUpper(s,c)
state(ipc,ip,el)%p(iD(s,c,matID)) = dUpper(s,c)
@ -2084,7 +2077,7 @@ forall (s = 1:ns, c = 1_pInt:2_pInt) &
#ifndef _OPENMP
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt )) then
write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation remobilization', deltaRhoRemobilization(1:ns,1:8)
write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> dipole dissociation by stress increase', deltaRhoDipole2SingleStress
@ -2099,7 +2092,7 @@ end subroutine constitutive_nonlocal_deltaState
!--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
function constitutive_nonlocal_dotState(Tstar_v, Fe, Fp, Temperature, state, state0, timestep, subfrac, g,ip,el)
function constitutive_nonlocal_dotState(Tstar_v, Fe, Fp, Temperature, state, state0, timestep, subfrac, ipc,ip,el)
use prec, only: DAMASK_NaN
use numerics, only: numerics_integrationMode, &
@ -2144,7 +2137,7 @@ use lattice, only: lattice_Sslip_v, &
implicit none
!*** input variables
integer(pInt), intent(in) :: g, & !< current grain number
integer(pInt), intent(in) :: ipc, & !< current grain number
ip, & !< current integration point
el !< current element number
real(pReal), intent(in) :: Temperature, & !< temperature
@ -2162,7 +2155,7 @@ type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), in
!*** input/output variables
!*** output variables
real(pReal), dimension(constitutive_nonlocal_sizeDotState(phase_plasticityInstance(material_phase(g,ip,el)))) :: &
real(pReal), dimension(constitutive_nonlocal_sizeDotState(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
constitutive_nonlocal_dotState !< evolution of state variables / microstructure
!*** local variables
@ -2184,38 +2177,38 @@ integer(pInt) matID, & !< current inst
s, & !< index of my current slip system
sLattice, & !< index of my current slip system according to lattice order
deads
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),10) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),10) :: &
rhoDot, & !< density evolution
rhoDotMultiplication, & !< density evolution by multiplication
rhoDotFlux, & !< density evolution by flux
rhoDotSingle2DipoleGlide, & !< density evolution by dipole formation (by glide)
rhoDotAthermalAnnihilation, & !< density evolution by athermal annihilation
rhoDotThermalAnnihilation !< density evolution by thermal annihilation
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),8) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),8) :: &
rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles)
rhoSglOriginal, &
neighbor_rhoSgl, & !< current single dislocation densities of neighboring ip (positive/negative screw and edge without dipoles)
rhoSgl0, & !< single dislocation densities at start of cryst inc (positive/negative screw and edge without dipoles)
my_rhoSgl !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),4) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),4) :: &
v, & !< current dislocation glide velocity
v0, & !< dislocation glide velocity at start of cryst inc
my_v, & !< dislocation glide velocity of central ip
neighbor_v, & !< dislocation glide velocity of enighboring ip
gdot !< shear rates
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el)))) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
rhoForest, & !< forest dislocation density
tauThreshold, & !< threshold shear stress
tau, & !< current resolved shear stress
tauBack, & !< current back stress from pileups on same slip system
vClimb, & !< climb velocity of edge dipoles
nSources
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),2) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),2) :: &
rhoDip, & !< current dipole dislocation densities (screw and edge dipoles)
rhoDipOriginal, &
dLower, & !< minimum stable dipole distance for edges and screws
dUpper !< current maximum stable dipole distance for edges and screws
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),4) :: &
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),4) :: &
m !< direction of dislocation motion
real(pReal), dimension(3,3) :: my_F, & !< my total deformation gradient
neighbor_F, & !< total deformation gradient of my neighbor
@ -2237,16 +2230,16 @@ logical considerEnteringFlux, &
#ifndef _OPENMP
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt)) then
write(6,*)
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_dotState at el ip g ',el,ip,g
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_dotState at el ip ipc ',el,ip,ipc
write(6,*)
endif
#endif
matID = phase_plasticityInstance(material_phase(g,ip,el))
matID = phase_plasticityInstance(material_phase(ipc,ip,el))
structID = constitutive_nonlocal_structure(matID)
ns = totalNslip(matID)
@ -2258,16 +2251,16 @@ gdot = 0.0_pReal
forall (s = 1_pInt:ns, t = 1_pInt:4_pInt)
rhoSgl(s,t) = max(state(g,ip,el)%p(iRhoU(s,t,matID)), 0.0_pReal) ! ensure positive single mobile densities
rhoSgl(s,t+4_pInt) = state(g,ip,el)%p(iRhoB(s,t,matID))
v(s,t) = state(g,ip,el)%p(iV(s,t,matID))
rhoSgl(s,t) = max(state(ipc,ip,el)%p(iRhoU(s,t,matID)), 0.0_pReal) ! ensure positive single mobile densities
rhoSgl(s,t+4_pInt) = state(ipc,ip,el)%p(iRhoB(s,t,matID))
v(s,t) = state(ipc,ip,el)%p(iV(s,t,matID))
endforall
forall (s = 1_pInt:ns, c = 1_pInt:2_pInt)
rhoDip(s,c) = max(state(g,ip,el)%p(iRhoD(s,c,matID)), 0.0_pReal) ! ensure positive dipole densities
rhoDip(s,c) = max(state(ipc,ip,el)%p(iRhoD(s,c,matID)), 0.0_pReal) ! ensure positive dipole densities
endforall
rhoForest = state(g,ip,el)%p(iRhoF(1:ns,matID))
tauThreshold = state(g,ip,el)%p(iTauF(1:ns,matID))
tauBack = state(g,ip,el)%p(iTauB(1:ns,matID))
rhoForest = state(ipc,ip,el)%p(iRhoF(1:ns,matID))
tauThreshold = state(ipc,ip,el)%p(iTauF(1:ns,matID))
tauBack = state(ipc,ip,el)%p(iTauB(1:ns,matID))
rhoSglOriginal = rhoSgl
rhoDipOriginal = rhoDip
@ -2280,9 +2273,9 @@ where (abs(rhoDip) * mesh_ipVolume(ip,el) ** 0.667_pReal < significantN(matID) &
if (numerics_timeSyncing) then
forall (s = 1_pInt:ns, t = 1_pInt:4_pInt)
rhoSgl0(s,t) = max(state0(g,ip,el)%p(iRhoU(s,t,matID)), 0.0_pReal)
rhoSgl0(s,t+4_pInt) = state0(g,ip,el)%p(iRhoB(s,t,matID))
v0(s,t) = state0(g,ip,el)%p(iV(s,t,matID))
rhoSgl0(s,t) = max(state0(ipc,ip,el)%p(iRhoU(s,t,matID)), 0.0_pReal)
rhoSgl0(s,t+4_pInt) = state0(ipc,ip,el)%p(iRhoB(s,t,matID))
v0(s,t) = state0(ipc,ip,el)%p(iV(s,t,matID))
endforall
where (abs(rhoSgl0) * mesh_ipVolume(ip,el) ** 0.667_pReal < significantN(matID) &
.or. abs(rhoSgl0) < significantRho(matID)) &
@ -2308,7 +2301,7 @@ forall (t = 1_pInt:4_pInt) &
#ifndef _OPENMP
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt )) then
write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> rho / 1/m^2', rhoSgl, rhoDip
write(6,'(a,/,4(12x,12(e12.5,1x),/))') '<< CONST >> gdot / 1/s',gdot
@ -2364,16 +2357,16 @@ else
endwhere
do s = 1_pInt,ns
if (nSources(s) < 1.0_pReal) then
if (sourceProbability(s,g,ip,el) > 1.0_pReal) then
if (sourceProbability(s,ipc,ip,el) > 1.0_pReal) then
call random_number(rnd)
sourceProbability(s,g,ip,el) = rnd
sourceProbability(s,ipc,ip,el) = rnd
!$OMP FLUSH(sourceProbability)
endif
if (sourceProbability(s,g,ip,el) > 1.0_pReal - nSources(s)) then
if (sourceProbability(s,ipc,ip,el) > 1.0_pReal - nSources(s)) then
rhoDotMultiplication(s,1:4) = sum(rhoSglOriginal(s,1:4) * abs(v(s,1:4))) / meshlength
endif
else
sourceProbability(s,g,ip,el) = 2.0_pReal
sourceProbability(s,ipc,ip,el) = 2.0_pReal
rhoDotMultiplication(s,1:4) = &
(sum(abs(gdot(s,1:2))) * fEdgeMultiplication(matID) + sum(abs(gdot(s,3:4)))) &
/ burgers(s,matID) * sqrt(rhoForest(s)) / lambda0(s,matID)
@ -2381,7 +2374,7 @@ else
enddo
#ifndef _OPENMP
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt )) then
write(6,'(a,/,4(12x,12(f12.5,1x),/))') '<< CONST >> sources', nSources
write(6,*)
@ -2401,7 +2394,7 @@ endif
rhoDotFlux = 0.0_pReal
if (.not. phase_localPlasticity(material_phase(g,ip,el))) then ! only for nonlocal plasticity
if (.not. phase_localPlasticity(material_phase(ipc,ip,el))) then ! only for nonlocal plasticity
!*** check CFL (Courant-Friedrichs-Lewy) condition for flux
@ -2433,8 +2426,8 @@ if (.not. phase_localPlasticity(material_phase(g,ip,el))) then
m(1:3,1:ns,3) = -lattice_st(1:3, slipSystemLattice(1:ns,matID), structID)
m(1:3,1:ns,4) = lattice_st(1:3, slipSystemLattice(1:ns,matID), structID)
my_Fe = Fe(1:3,1:3,g,ip,el)
my_F = math_mul33x33(my_Fe, Fp(1:3,1:3,g,ip,el))
my_Fe = Fe(1:3,1:3,ipc,ip,el)
my_F = math_mul33x33(my_Fe, Fp(1:3,1:3,ipc,ip,el))
do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el)))) ! loop through my neighbors
neighbor_el = mesh_ipNeighborhood(1,n,ip,el)
@ -2447,9 +2440,9 @@ if (.not. phase_localPlasticity(material_phase(g,ip,el))) then
opposite_n = mesh_ipNeighborhood(3,opposite_neighbor,ip,el)
if (neighbor_n > 0_pInt) then ! if neighbor exists, average deformation gradient
neighbor_instance = phase_plasticityInstance(material_phase(g,neighbor_ip,neighbor_el))
neighbor_Fe = Fe(1:3,1:3,g,neighbor_ip,neighbor_el)
neighbor_F = math_mul33x33(neighbor_Fe, Fp(1:3,1:3,g,neighbor_ip,neighbor_el))
neighbor_instance = phase_plasticityInstance(material_phase(ipc,neighbor_ip,neighbor_el))
neighbor_Fe = Fe(1:3,1:3,ipc,neighbor_ip,neighbor_el)
neighbor_F = math_mul33x33(neighbor_Fe, Fp(1:3,1:3,ipc,neighbor_ip,neighbor_el))
Favg = 0.5_pReal * (my_F + neighbor_F)
else ! if no neighbor, take my value as average
Favg = my_F
@ -2471,17 +2464,17 @@ if (.not. phase_localPlasticity(material_phase(g,ip,el))) then
endif
if (considerEnteringFlux) then
if(numerics_timeSyncing .and. (subfrac(g,neighbor_ip,neighbor_el) /= subfrac(g,ip,el))) then ! for timesyncing: in case of a timestep at the interface we have to use "state0" to make sure that fluxes n both sides are equal
if(numerics_timeSyncing .and. (subfrac(ipc,neighbor_ip,neighbor_el) /= subfrac(ipc,ip,el))) then ! for timesyncing: in case of a timestep at the interface we have to use "state0" to make sure that fluxes n both sides are equal
forall (s = 1:ns, t = 1_pInt:4_pInt)
neighbor_v(s,t) = state0(g,neighbor_ip,neighbor_el)%p(iV(s,t,neighbor_instance))
neighbor_rhoSgl(s,t) = max(state0(g,neighbor_ip,neighbor_el)%p(iRhoU(s,t,neighbor_instance)), 0.0_pReal)
neighbor_rhoSgl(s,t+4_pInt) = state0(g,neighbor_ip,neighbor_el)%p(iRhoB(s,t,neighbor_instance))
neighbor_v(s,t) = state0(ipc,neighbor_ip,neighbor_el)%p(iV(s,t,neighbor_instance))
neighbor_rhoSgl(s,t) = max(state0(ipc,neighbor_ip,neighbor_el)%p(iRhoU(s,t,neighbor_instance)), 0.0_pReal)
neighbor_rhoSgl(s,t+4_pInt) = state0(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,t,neighbor_instance))
endforall
else
forall (s = 1:ns, t = 1_pInt:4_pInt)
neighbor_v(s,t) = state(g,neighbor_ip,neighbor_el)%p(iV(s,t,neighbor_instance))
neighbor_rhoSgl(s,t) = max(state(g,neighbor_ip,neighbor_el)%p(iRhoU(s,t,neighbor_instance)), 0.0_pReal)
neighbor_rhoSgl(s,t+4_pInt) = state(g,neighbor_ip,neighbor_el)%p(iRhoB(s,t,neighbor_instance))
neighbor_v(s,t) = state(ipc,neighbor_ip,neighbor_el)%p(iV(s,t,neighbor_instance))
neighbor_rhoSgl(s,t) = max(state(ipc,neighbor_ip,neighbor_el)%p(iRhoU(s,t,neighbor_instance)), 0.0_pReal)
neighbor_rhoSgl(s,t+4_pInt) = state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,t,neighbor_instance))
endforall
endif
where (abs(neighbor_rhoSgl) * mesh_ipVolume(neighbor_ip,neighbor_el) ** 0.667_pReal &
@ -2541,11 +2534,11 @@ if (.not. phase_localPlasticity(material_phase(g,ip,el))) then
my_rhoSgl = rhoSgl
my_v = v
if(numerics_timeSyncing) then
if (subfrac(g,ip,el) == 0.0_pReal) then
if (subfrac(ipc,ip,el) == 0.0_pReal) then
my_rhoSgl = rhoSgl0
my_v = v0
elseif (neighbor_n > 0_pInt) then
if (subfrac(g,neighbor_ip,neighbor_el) == 0.0_pReal) then
if (subfrac(ipc,neighbor_ip,neighbor_el) == 0.0_pReal) then
my_rhoSgl = rhoSgl0
my_v = v0
endif
@ -2658,18 +2651,18 @@ rhoDot = rhoDotFlux &
+ rhoDotThermalAnnihilation
if (numerics_integrationMode == 1_pInt) then ! save rates for output if in central integration mode
rhoDotFluxOutput(1:ns,1:8,g,ip,el) = rhoDotFlux(1:ns,1:8)
rhoDotMultiplicationOutput(1:ns,1:2,g,ip,el) = rhoDotMultiplication(1:ns,[1,3])
rhoDotSingle2DipoleGlideOutput(1:ns,1:2,g,ip,el) = rhoDotSingle2DipoleGlide(1:ns,9:10)
rhoDotAthermalAnnihilationOutput(1:ns,1:2,g,ip,el) = rhoDotAthermalAnnihilation(1:ns,9:10)
rhoDotThermalAnnihilationOutput(1:ns,1:2,g,ip,el) = rhoDotThermalAnnihilation(1:ns,9:10)
rhoDotEdgeJogsOutput(1:ns,g,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(1:ns,1)
rhoDotFluxOutput(1:ns,1:8,ipc,ip,el) = rhoDotFlux(1:ns,1:8)
rhoDotMultiplicationOutput(1:ns,1:2,ipc,ip,el) = rhoDotMultiplication(1:ns,[1,3])
rhoDotSingle2DipoleGlideOutput(1:ns,1:2,ipc,ip,el) = rhoDotSingle2DipoleGlide(1:ns,9:10)
rhoDotAthermalAnnihilationOutput(1:ns,1:2,ipc,ip,el) = rhoDotAthermalAnnihilation(1:ns,9:10)
rhoDotThermalAnnihilationOutput(1:ns,1:2,ipc,ip,el) = rhoDotThermalAnnihilation(1:ns,9:10)
rhoDotEdgeJogsOutput(1:ns,ipc,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(1:ns,1)
endif
#ifndef _OPENMP
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt )) then
write(6,'(a,/,4(12x,12(e12.5,1x),/))') '<< CONST >> dislocation multiplication', rhoDotMultiplication(1:ns,1:4) * timestep
write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation flux', rhoDotFlux(1:ns,1:8) * timestep
@ -2892,7 +2885,7 @@ end subroutine constitutive_nonlocal_updateCompatibility
!*********************************************************************
!* calculates quantities characterizing the microstructure *
!*********************************************************************
function constitutive_nonlocal_dislocationstress(state, Fe, g, ip, el)
pure function constitutive_nonlocal_dislocationstress(state, Fe, ipc, ip, el)
use math, only: math_mul33x33, &
math_mul33x3, &
@ -2917,7 +2910,7 @@ implicit none
!*** input variables
integer(pInt), intent(in) :: g, & ! current grain ID
integer(pInt), intent(in) :: ipc, & ! current grain ID
ip, & ! current integration point
el ! current element
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
@ -2975,11 +2968,11 @@ real(pReal), dimension(2,2,maxval(totalNslip)) :: &
neighbor_rhoExcess ! excess density at neighbor material point (edge/screw,mobile/dead,slipsystem)
real(pReal), dimension(2,maxval(totalNslip)) :: &
rhoExcessDead
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),8) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),8) :: &
rhoSgl ! single dislocation density (edge+, edge-, screw+, screw-, used edge+, used edge-, used screw+, used screw-)
logical inversionError
phase = material_phase(g,ip,el)
phase = material_phase(ipc,ip,el)
instance = phase_plasticityInstance(phase)
latticeStruct = constitutive_nonlocal_structure(instance)
ns = totalNslip(instance)
@ -2989,8 +2982,8 @@ ns = totalNslip(instance)
!*** get basic states
forall (s = 1_pInt:ns, t = 1_pInt:4_pInt)
rhoSgl(s,t) = max(state(g,ip,el)%p(iRhoU(s,t,instance)), 0.0_pReal) ! ensure positive single mobile densities
rhoSgl(s,t+4_pInt) = state(g,ip,el)%p(iRhoB(s,t,instance))
rhoSgl(s,t) = max(state(ipc,ip,el)%p(iRhoU(s,t,instance)), 0.0_pReal) ! ensure positive single mobile densities
rhoSgl(s,t+4_pInt) = state(ipc,ip,el)%p(iRhoB(s,t,instance))
endforall
@ -3001,7 +2994,7 @@ endforall
constitutive_nonlocal_dislocationstress = 0.0_pReal
if (.not. phase_localPlasticity(phase)) then
call math_invert33(Fe(1:3,1:3,g,ip,el), invFe, detFe, inversionError)
call math_invert33(Fe(1:3,1:3,ipc,ip,el), invFe, detFe, inversionError)
!* in case of periodic surfaces we have to find out how many periodic images in each direction we need
@ -3025,7 +3018,7 @@ if (.not. phase_localPlasticity(phase)) then
do neighbor_el = 1_pInt,mesh_NcpElems
ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el)))
neighbor_phase = material_phase(g,neighbor_ip,neighbor_el)
neighbor_phase = material_phase(ipc,neighbor_ip,neighbor_el)
if (phase_localPlasticity(neighbor_phase)) then
cycle
endif
@ -3035,10 +3028,10 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
call math_invert33(Fe(1:3,1:3,1,neighbor_ip,neighbor_el), neighbor_invFe, detFe, inversionError)
neighbor_ipVolumeSideLength = mesh_ipVolume(neighbor_ip,neighbor_el) ** (1.0_pReal/3.0_pReal) ! reference volume used here
forall (s = 1_pInt:neighbor_ns, c = 1_pInt:2_pInt)
neighbor_rhoExcess(c,1,s) = state(g,neighbor_ip,neighbor_el)%p(iRhoU(s,2*c-1,neighbor_instance)) & ! positive mobiles
- state(g,neighbor_ip,neighbor_el)%p(iRhoU(s,2*c,neighbor_instance)) ! negative mobiles
neighbor_rhoExcess(c,2,s) = abs(state(g,neighbor_ip,neighbor_el)%p(iRhoB(s,2*c-1,neighbor_instance))) & ! positive deads
- abs(state(g,neighbor_ip,neighbor_el)%p(iRhoB(s,2*c,neighbor_instance))) ! negative deads
neighbor_rhoExcess(c,1,s) = state(ipc,neighbor_ip,neighbor_el)%p(iRhoU(s,2*c-1,neighbor_instance)) & ! positive mobiles
- state(ipc,neighbor_ip,neighbor_el)%p(iRhoU(s,2*c,neighbor_instance)) ! negative mobiles
neighbor_rhoExcess(c,2,s) = abs(state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,2*c-1,neighbor_instance))) & ! positive deads
- abs(state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,2*c,neighbor_instance))) ! negative deads
endforall
Tdislo_neighborLattice = 0.0_pReal
do deltaX = periodicImages(1,1),periodicImages(2,1)
@ -3097,8 +3090,8 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
cycle
elseif (j > 1_pInt) then
x = connection_neighborSlip(1) + sign(0.5_pReal * segmentLength, &
state(g,neighbor_ip,neighbor_el)%p(iRhoB(s,1,neighbor_instance)) &
- state(g,neighbor_ip,neighbor_el)%p(iRhoB(s,2,neighbor_instance)))
state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,1,neighbor_instance)) &
- state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,2,neighbor_instance)))
xsquare = x * x
endif
@ -3143,8 +3136,8 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
cycle
elseif (j > 1_pInt) then
y = connection_neighborSlip(2) + sign(0.5_pReal * segmentLength, &
state(g,neighbor_ip,neighbor_el)%p(iRhoB(s,3,neighbor_instance)) &
- state(g,neighbor_ip,neighbor_el)%p(iRhoB(s,4,neighbor_instance)))
state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,3,neighbor_instance)) &
- state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,4,neighbor_instance)))
ysquare = y * y
endif
@ -3197,8 +3190,8 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
else
forall (s = 1_pInt:ns, c = 1_pInt:2_pInt) &
rhoExcessDead(c,s) = state(g,ip,el)%p(iRhoB(s,2*c-1,instance)) & ! positive deads (here we use symmetry: if this has negative sign it is treated as negative density at positive position instead of positive density at negative position)
+ state(g,ip,el)%p(iRhoB(s,2*c,instance)) ! negative deads (here we use symmetry: if this has negative sign it is treated as positive density at positive position instead of negative density at negative position)
rhoExcessDead(c,s) = state(ipc,ip,el)%p(iRhoB(s,2*c-1,instance)) & ! positive deads (here we use symmetry: if this has negative sign it is treated as negative density at positive position instead of positive density at negative position)
+ state(ipc,ip,el)%p(iRhoB(s,2*c,instance)) ! negative deads (here we use symmetry: if this has negative sign it is treated as positive density at positive position instead of negative density at negative position)
do s = 1_pInt,ns
if (all(abs(rhoExcessDead(:,s)) < significantRho(instance))) then
@ -3240,80 +3233,81 @@ endif
end function constitutive_nonlocal_dislocationstress
!*********************************************************************
!* return array of constitutive results *
!*********************************************************************
function constitutive_nonlocal_postResults(Tstar_v, Fe, Temperature, dt, state, dotState, g,ip,el)
!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results
!--------------------------------------------------------------------------------------------------
pure function constitutive_nonlocal_postResults(Tstar_v,Fe,state,dotState,ipc,ip,el)
use math, only: &
math_mul6x6, &
math_mul33x3, &
math_mul33x33, &
pi
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_maxNgrains, &
material_phase, &
phase_plasticityInstance, &
phase_Noutput
use lattice, only: &
lattice_Sslip_v, &
lattice_sd, &
lattice_st, &
lattice_sn
use math, only: math_mul6x6, &
math_mul33x3, &
math_mul33x33, &
pi
use mesh, only: mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_maxNgrains, &
material_phase, &
phase_plasticityInstance, &
phase_Noutput
use lattice, only: lattice_Sslip_v, &
lattice_sd, &
lattice_st, &
lattice_sn
implicit none
real(pReal), dimension(6), intent(in) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
Fe !< elastic deformation gradient
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state !< microstructure state
type(p_vec), intent(in) :: dotState ! evolution rate of microstructural state
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
implicit none
real(pReal), dimension(constitutive_nonlocal_sizePostResults(&
phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
constitutive_nonlocal_postResults
!*** input variables
integer(pInt), intent(in) :: g, & ! current grain number
ip, & ! current integration point
el ! current element number
integer(pInt) :: &
matID, & !< current instance of this plasticity
structID, & !< current lattice structure
ns, & !< short notation for the total number of active slip systems
c, & !< character of dislocation
cs, & !< constitutive result index
o, & !< index of current output
t, & !< type of dislocation
s, & !< index of my current slip system
sLattice !< index of my current slip system according to lattice order
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),8) :: &
rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles)
rhoDotSgl !< evolution rate of single dislocation densities (positive/negative screw and edge without dipoles)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),4) :: &
gdot, & !< shear rates
v !< velocities
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
rhoForest, & !< forest dislocation density
tauThreshold, & !< threshold shear stress
tau, & !< current resolved shear stress
tauBack !< back stress from pileups on same slip system
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),2) :: &
rhoDip, & !< current dipole dislocation densities (screw and edge dipoles)
rhoDotDip, & !< evolution rate of dipole dislocation densities (screw and edge dipoles)
dLower, & !< minimum stable dipole distance for edges and screws
dUpper !< current maximum stable dipole distance for edges and screws
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),2) :: &
m, & !< direction of dislocation motion for edge and screw (unit vector)
m_currentconf !< direction of dislocation motion for edge and screw (unit vector) in current configuration
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
n_currentconf !< slip system normal (unit vector) in current configuration
real(pReal), dimension(3,3) :: &
sigma
real(pReal), intent(in) :: Temperature, & ! temperature
dt ! time increment
real(pReal), dimension(6), intent(in) :: Tstar_v ! current 2nd Piola-Kirchhoff stress in Mandel notation
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
Fe ! elastic deformation gradient
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state ! current microstructural state
type(p_vec), intent(in) :: dotState ! evolution rate of microstructural state
!*** output variables
real(pReal), dimension(constitutive_nonlocal_sizePostResults(phase_plasticityInstance(material_phase(g,ip,el)))) :: &
constitutive_nonlocal_postResults
!*** local variables
integer(pInt) matID, & ! current instance of this plasticity
structID, & ! current lattice structure
ns, & ! short notation for the total number of active slip systems
c, & ! character of dislocation
cs, & ! constitutive result index
o, & ! index of current output
t, & ! type of dislocation
s, & ! index of my current slip system
sLattice ! index of my current slip system according to lattice order
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),8) :: &
rhoSgl, & ! current single dislocation densities (positive/negative screw and edge without dipoles)
rhoDotSgl ! evolution rate of single dislocation densities (positive/negative screw and edge without dipoles)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),4) :: &
gdot, & ! shear rates
v ! velocities
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el)))) :: &
rhoForest, & ! forest dislocation density
tauThreshold, & ! threshold shear stress
tau, & ! current resolved shear stress
tauBack ! back stress from pileups on same slip system
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),2) :: &
rhoDip, & ! current dipole dislocation densities (screw and edge dipoles)
rhoDotDip, & ! evolution rate of dipole dislocation densities (screw and edge dipoles)
dLower, & ! minimum stable dipole distance for edges and screws
dUpper ! current maximum stable dipole distance for edges and screws
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),2) :: &
m, & ! direction of dislocation motion for edge and screw (unit vector)
m_currentconf ! direction of dislocation motion for edge and screw (unit vector) in current configuration
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(g,ip,el)))) :: &
n_currentconf ! slip system normal (unit vector) in current configuration
real(pReal), dimension(3,3) :: sigma
matID = phase_plasticityInstance(material_phase(g,ip,el))
matID = phase_plasticityInstance(material_phase(ipc,ip,el))
structID = constitutive_nonlocal_structure(matID)
ns = totalNslip(matID)
@ -3324,19 +3318,19 @@ constitutive_nonlocal_postResults = 0.0_pReal
!* short hand notations for state variables
forall (s = 1_pInt:ns, t = 1_pInt:4_pInt)
rhoSgl(s,t) = state(g,ip,el)%p(iRhoU(s,t,matID))
rhoSgl(s,t+4_pInt) = state(g,ip,el)%p(iRhoB(s,t,matID))
v(s,t) = state(g,ip,el)%p(iV(s,t,matID))
rhoSgl(s,t) = state(ipc,ip,el)%p(iRhoU(s,t,matID))
rhoSgl(s,t+4_pInt) = state(ipc,ip,el)%p(iRhoB(s,t,matID))
v(s,t) = state(ipc,ip,el)%p(iV(s,t,matID))
rhoDotSgl(s,t) = dotState%p(iRhoU(s,t,matID))
rhoDotSgl(s,t+4_pInt) = dotState%p(iRhoB(s,t,matID))
endforall
forall (s = 1_pInt:ns, c = 1_pInt:2_pInt)
rhoDip(s,c) = state(g,ip,el)%p(iRhoD(s,c,matID))
rhoDip(s,c) = state(ipc,ip,el)%p(iRhoD(s,c,matID))
rhoDotDip(s,c) = dotState%p(iRhoD(s,c,matID))
endforall
rhoForest = state(g,ip,el)%p(iRhoF(1:ns,matID))
tauThreshold = state(g,ip,el)%p(iTauF(1:ns,matID))
tauBack = state(g,ip,el)%p(iTauB(1:ns,matID))
rhoForest = state(ipc,ip,el)%p(iRhoF(1:ns,matID))
tauThreshold = state(ipc,ip,el)%p(iTauF(1:ns,matID))
tauBack = state(ipc,ip,el)%p(iTauB(1:ns,matID))
@ -3371,13 +3365,13 @@ dUpper = max(dUpper,dLower)
m(1:3,1:ns,1) = lattice_sd(1:3,slipSystemLattice(1:ns,matID),structID)
m(1:3,1:ns,2) = -lattice_st(1:3,slipSystemLattice(1:ns,matID),structID)
forall (c = 1_pInt:2_pInt, s = 1_pInt:ns) &
m_currentconf(1:3,s,c) = math_mul33x3(Fe(1:3,1:3,g,ip,el), m(1:3,s,c))
m_currentconf(1:3,s,c) = math_mul33x3(Fe(1:3,1:3,ipc,ip,el), m(1:3,s,c))
forall (s = 1_pInt:ns) &
n_currentconf(1:3,s) = math_mul33x3(Fe(1:3,1:3,g,ip,el), &
n_currentconf(1:3,s) = math_mul33x3(Fe(1:3,1:3,ipc,ip,el), &
lattice_sn(1:3,slipSystemLattice(s,matID),structID))
do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
do o = 1_pInt,phase_Noutput(material_phase(ipc,ip,el))
select case(constitutive_nonlocal_output(o,matID))
case ('rho')
@ -3557,66 +3551,66 @@ do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
cs = cs + ns
case ('rho_dot_gen')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotMultiplicationOutput(1:ns,1,g,ip,el) &
+ rhoDotMultiplicationOutput(1:ns,2,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotMultiplicationOutput(1:ns,1,ipc,ip,el) &
+ rhoDotMultiplicationOutput(1:ns,2,ipc,ip,el)
cs = cs + ns
case ('rho_dot_gen_edge')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotMultiplicationOutput(1:ns,1,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotMultiplicationOutput(1:ns,1,ipc,ip,el)
cs = cs + ns
case ('rho_dot_gen_screw')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotMultiplicationOutput(1:ns,2,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotMultiplicationOutput(1:ns,2,ipc,ip,el)
cs = cs + ns
case ('rho_dot_sgl2dip')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotSingle2DipoleGlideOutput(1:ns,1,g,ip,el) &
+ rhoDotSingle2DipoleGlideOutput(1:ns,2,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotSingle2DipoleGlideOutput(1:ns,1,ipc,ip,el) &
+ rhoDotSingle2DipoleGlideOutput(1:ns,2,ipc,ip,el)
cs = cs + ns
case ('rho_dot_sgl2dip_edge')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotSingle2DipoleGlideOutput(1:ns,1,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotSingle2DipoleGlideOutput(1:ns,1,ipc,ip,el)
cs = cs + ns
case ('rho_dot_sgl2dip_screw')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotSingle2DipoleGlideOutput(1:ns,2,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotSingle2DipoleGlideOutput(1:ns,2,ipc,ip,el)
cs = cs + ns
case ('rho_dot_ann_ath')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotAthermalAnnihilationOutput(1:ns,1,g,ip,el) &
+ rhoDotAthermalAnnihilationOutput(1:ns,2,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotAthermalAnnihilationOutput(1:ns,1,ipc,ip,el) &
+ rhoDotAthermalAnnihilationOutput(1:ns,2,ipc,ip,el)
cs = cs + ns
case ('rho_dot_ann_the')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotThermalAnnihilationOutput(1:ns,1,g,ip,el) &
+ rhoDotThermalAnnihilationOutput(1:ns,2,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotThermalAnnihilationOutput(1:ns,1,ipc,ip,el) &
+ rhoDotThermalAnnihilationOutput(1:ns,2,ipc,ip,el)
cs = cs + ns
case ('rho_dot_ann_the_edge')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotThermalAnnihilationOutput(1:ns,1,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotThermalAnnihilationOutput(1:ns,1,ipc,ip,el)
cs = cs + ns
case ('rho_dot_ann_the_screw')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotThermalAnnihilationOutput(1:ns,2,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotThermalAnnihilationOutput(1:ns,2,ipc,ip,el)
cs = cs + ns
case ('rho_dot_edgejogs')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotEdgeJogsOutput(1:ns,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDotEdgeJogsOutput(1:ns,ipc,ip,el)
cs = cs + ns
case ('rho_dot_flux')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = sum(rhoDotFluxOutput(1:ns,1:4,g,ip,el),2) &
+ sum(abs(rhoDotFluxOutput(1:ns,5:8,g,ip,el)),2)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = sum(rhoDotFluxOutput(1:ns,1:4,ipc,ip,el),2) &
+ sum(abs(rhoDotFluxOutput(1:ns,5:8,ipc,ip,el)),2)
cs = cs + ns
case ('rho_dot_flux_edge')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = sum(rhoDotFluxOutput(1:ns,1:2,g,ip,el),2) &
+ sum(abs(rhoDotFluxOutput(1:ns,5:6,g,ip,el)),2)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = sum(rhoDotFluxOutput(1:ns,1:2,ipc,ip,el),2) &
+ sum(abs(rhoDotFluxOutput(1:ns,5:6,ipc,ip,el)),2)
cs = cs + ns
case ('rho_dot_flux_screw')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = sum(rhoDotFluxOutput(1:ns,3:4,g,ip,el),2) &
+ sum(abs(rhoDotFluxOutput(1:ns,7:8,g,ip,el)),2)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = sum(rhoDotFluxOutput(1:ns,3:4,ipc,ip,el),2) &
+ sum(abs(rhoDotFluxOutput(1:ns,7:8,ipc,ip,el)),2)
cs = cs + ns
case ('velocity_edge_pos')
@ -3716,7 +3710,7 @@ do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
cs = cs + ns
case('dislocationstress')
sigma = constitutive_nonlocal_dislocationstress(state, Fe, g, ip, el)
sigma = constitutive_nonlocal_dislocationstress(state, Fe, ipc, ip, el)
constitutive_nonlocal_postResults(cs+1_pInt) = sigma(1,1)
constitutive_nonlocal_postResults(cs+2_pInt) = sigma(2,2)
constitutive_nonlocal_postResults(cs+3_pInt) = sigma(3,3)
@ -3726,7 +3720,7 @@ do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
cs = cs + 6_pInt
case('accumulatedshear')
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(iGamma(1:ns,matID))
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(ipc,ip,el)%p(iGamma(1:ns,matID))
cs = cs + ns
case('boundarylayer')
@ -3742,6 +3736,6 @@ do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
end select
enddo
endfunction
end function constitutive_nonlocal_postResults
END MODULE
end module constitutive_nonlocal

View File

@ -646,7 +646,7 @@ end function constitutive_phenopowerlaw_aTolState
!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix
!--------------------------------------------------------------------------------------------------
pure function constitutive_phenopowerlaw_homogenizedC(state,ipc,ip,el)
pure function constitutive_phenopowerlaw_homogenizedC(ipc,ip,el)
use prec, only: &
p_vec
use mesh, only: &
@ -664,8 +664,6 @@ pure function constitutive_phenopowerlaw_homogenizedC(state,ipc,ip,el)
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state !< microstructure state
constitutive_phenopowerlaw_homogenizedC = constitutive_phenopowerlaw_Cslip_66(1:6,1:6,&
phase_plasticityInstance(material_phase(ipc,ip,el)))
@ -676,8 +674,7 @@ end function constitutive_phenopowerlaw_homogenizedC
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!--------------------------------------------------------------------------------------------------
pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
temperature,state,ipc,ip,el)
pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,state,ipc,ip,el)
use prec, only: &
p_vec
use math, only: &
@ -709,8 +706,6 @@ pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar
real(pReal), dimension(6), intent(in) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature !< temperature at IP
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -831,7 +826,7 @@ end subroutine constitutive_phenopowerlaw_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
function constitutive_phenopowerlaw_dotState(Tstar_v,temperature,state,ipc,ip,el)
function constitutive_phenopowerlaw_dotState(Tstar_v,state,ipc,ip,el)
use prec, only: &
p_vec
use lattice, only: &
@ -854,8 +849,6 @@ function constitutive_phenopowerlaw_dotState(Tstar_v,temperature,state,ipc,ip,el
implicit none
real(pReal), dimension(6), intent(in) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature !< temperature at integration point
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -1003,7 +996,7 @@ end function constitutive_phenopowerlaw_dotState
!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results
!--------------------------------------------------------------------------------------------------
pure function constitutive_phenopowerlaw_postResults(Tstar_v,temperature,dt,state,ipc,ip,el)
pure function constitutive_phenopowerlaw_postResults(Tstar_v,state,ipc,ip,el)
use prec, only: &
p_vec
use mesh, only: &
@ -1029,9 +1022,6 @@ pure function constitutive_phenopowerlaw_postResults(Tstar_v,temperature,dt,stat
implicit none
real(pReal), dimension(6), intent(in) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature, & !< temperature at integration point
dt
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point

View File

@ -1144,11 +1144,11 @@ real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_plasticityInstance
!--------------------------------------------------------------------------------------------------
! homogenized elasticity matrix
constitutive_titanmod_homogenizedC = (1.0_pReal-sumf)*constitutive_titanmod_Cslip_66(:,:,matID)
constitutive_titanmod_homogenizedC = (1.0_pReal-sumf)*constitutive_titanmod_Cslip_66(1:6,1:6,matID)
do i=1_pInt,nt
constitutive_titanmod_homogenizedC = &
constitutive_titanmod_homogenizedC + volumefraction_PerTwinSys(i)*constitutive_titanmod_Ctwin_66(:,:,i,matID)
constitutive_titanmod_homogenizedC = constitutive_titanmod_homogenizedC &
+ volumefraction_PerTwinSys(i)*&
constitutive_titanmod_Ctwin_66(1:6,1:6,i,matID)
enddo
end function constitutive_titanmod_homogenizedC
@ -1717,7 +1717,7 @@ end function constitutive_titanmod_dotState
!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results
!--------------------------------------------------------------------------------------------------
pure function constitutive_titanmod_postResults(Tstar_v,Temperature,dt,state,ipc,ip,el)
pure function constitutive_titanmod_postResults(state,ipc,ip,el)
use prec, only: &
p_vec
use mesh, only: &
@ -1730,24 +1730,21 @@ pure function constitutive_titanmod_postResults(Tstar_v,Temperature,dt,state,ipc
phase_Noutput
implicit none
real(pReal), dimension(6), intent(in) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature, & !< temperature at integration point
dt
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state !< microstructure state
real(pReal), dimension(constitutive_titanmod_sizePostResults(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
constitutive_titanmod_postResults
integer(pInt) :: &
matID, structID,&
ns,nt,&
o,i,c
real(pReal) :: sumf
real(pReal), dimension(constitutive_titanmod_sizePostResults(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
constitutive_titanmod_postResults
real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
volumefraction_PerTwinSys

File diff suppressed because it is too large Load Diff

View File

@ -61,25 +61,23 @@ module debug
debug_MARC = 12_pInt, &
debug_ABAQUS = 13_pInt
integer(pInt), parameter, private :: &
debug_MAXNTYPE = debug_ABAQUS ! must be set to the maximum defined debug type
debug_MAXNTYPE = debug_ABAQUS !< must be set to the maximum defined debug type
integer(pInt),protected, dimension(debug_maxNtype+2_pInt), public :: & ! specific ones, and 2 for "all" and "other"
debug_level = 0_pInt
integer(pInt), public :: &
debug_cumLpCalls = 0_pInt, & ! total number of calls to LpAndItsTangent
debug_cumDeltaStateCalls = 0_pInt, & ! total number of calls to deltaState
debug_cumDotStateCalls = 0_pInt, & ! total number of calls to dotState
debug_cumDotTemperatureCalls = 0_pInt, & ! total number of calls to dotTemprature
debug_cumLpCalls = 0_pInt, & !< total number of calls to LpAndItsTangent
debug_cumDeltaStateCalls = 0_pInt, & !< total number of calls to deltaState
debug_cumDotStateCalls = 0_pInt, & !< total number of calls to dotState
debug_e = 1_pInt, &
debug_i = 1_pInt, &
debug_g = 1_pInt
integer(pLongInt), public :: &
debug_cumLpTicks = 0_pLongInt, & ! total cpu ticks spent in LpAndItsTangent
debug_cumDeltaStateTicks = 0_pLongInt, & ! total cpu ticks spent in deltaState
debug_cumDotStateTicks = 0_pLongInt, & ! total cpu ticks spent in dotState
debug_cumDotTemperatureTicks = 0_pLongInt ! total cpu ticks spent in dotTemperature
debug_cumLpTicks = 0_pLongInt, & !< total cpu ticks spent in LpAndItsTangent
debug_cumDeltaStateTicks = 0_pLongInt, & !< total cpu ticks spent in deltaState
debug_cumDotStateTicks = 0_pLongInt !< total cpu ticks spent in dotState
integer(pInt), dimension(2), public :: &
debug_stressMaxLocation = 0_pInt, &
@ -88,13 +86,13 @@ module debug
debug_jacobianMinLocation = 0_pInt
integer(pInt), dimension(:), allocatable, public :: &
debug_CrystalliteLoopDistribution, & ! distribution of crystallite cutbacks
debug_CrystalliteLoopDistribution, & !< distribution of crystallite cutbacks
debug_MaterialpointStateLoopDistribution, &
debug_MaterialpointLoopDistribution
integer(pInt), dimension(:,:), allocatable, public :: &
debug_StressLoopDistribution, & ! distribution of stress iterations until convergence
debug_StateLoopDistribution ! distribution of state iterations until convergence
debug_StressLoopDistribution, & !< distribution of stress iterations until convergence
debug_StateLoopDistribution !< distribution of state iterations until convergence
real(pReal), public :: &
debug_stressMax = -huge(1.0_pReal), &
@ -103,7 +101,7 @@ module debug
debug_jacobianMin = huge(1.0_pReal)
character(len=64), parameter, private :: &
debug_CONFIGFILE = 'debug.config' ! name of configuration file
debug_CONFIGFILE = 'debug.config' !< name of configuration file
#ifdef PETSc
character(len=1024), parameter, public :: &
@ -335,11 +333,9 @@ subroutine debug_reset
debug_cumLpTicks = 0_pLongInt
debug_cumDeltaStateTicks = 0_pLongInt
debug_cumDotStateTicks = 0_pLongInt
debug_cumDotTemperatureTicks = 0_pLongInt
debug_cumLpCalls = 0_pInt
debug_cumDeltaStateCalls = 0_pInt
debug_cumDotStateCalls = 0_pInt
debug_cumDotTemperatureCalls = 0_pInt
debug_stressMaxLocation = 0_pInt
debug_stressMinLocation = 0_pInt
debug_jacobianMaxLocation = 0_pInt
@ -394,13 +390,6 @@ subroutine debug_info
write(6,'(a33,1x,f12.6)') 'avg CPU time/microsecs per call :',&
real(debug_cumDeltaStateTicks,pReal)*1.0e6_pReal/real(tickrate*debug_cumDeltaStateCalls,pReal)
endif
write(6,'(/,a33,1x,i12)') 'total calls to dotTemperature :',debug_cumDotTemperatureCalls
if (debug_cumdotTemperatureCalls > 0_pInt) then
write(6,'(a33,1x,f12.3)') 'total CPU time/s :',&
real(debug_cumDotTemperatureTicks,pReal)/real(tickrate,pReal)
write(6,'(a33,1x,f12.6)') 'avg CPU time/microsecs per call :',&
real(debug_cumDotTemperatureTicks,pReal)*1.0e6_pReal/real(tickrate*debug_cumDotTemperatureCalls,pReal)
endif
integral = 0_pInt
write(6,'(3/,a)') 'distribution_StressLoop : stress stiffness'

View File

@ -36,8 +36,6 @@ module homogenization
private
type(p_vec), dimension(:,:), allocatable, public :: &
homogenization_state0 !< pointer array to homogenization state at start of FE increment
real(pReal), dimension(:,:), allocatable, public :: &
materialpoint_Temperature !< temperature at IP
real(pReal), dimension(:,:,:,:), allocatable, public :: &
materialpoint_F0, & !< def grad of IP at start of FE increment
materialpoint_F, & !< def grad of IP to be reached at end of FE increment
@ -63,7 +61,8 @@ module homogenization
real(pReal), dimension(:,:), allocatable, private :: &
materialpoint_subFrac, &
materialpoint_subStep, &
materialpoint_subdt
materialpoint_subdt, &
materialpoint_heat
integer(pInt), dimension(:,:), allocatable, private :: &
homogenization_sizePostResults !< size of postResults array per material point
integer(pInt), private :: &
@ -82,7 +81,7 @@ module homogenization
homogenization_partitionDeformation, &
homogenization_updateState, &
homogenization_averageStressAndItsTangent, &
homogenization_averageTemperature, &
homogenization_averageHeat, &
homogenization_postResults
contains
@ -91,14 +90,16 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!--------------------------------------------------------------------------------------------------
subroutine homogenization_init(Temperature)
subroutine homogenization_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use math, only: &
math_I3
use debug, only: &
debug_level, &
debug_homogenization, &
debug_levelBasic
debug_levelBasic, &
debug_e, &
debug_g
use IO, only: &
IO_error, &
IO_open_file, &
@ -121,18 +122,16 @@ subroutine homogenization_init(Temperature)
use homogenization_RGC
implicit none
real(pReal) Temperature
integer(pInt), parameter :: fileunit = 200_pInt
integer(pInt) e,i,p,myInstance
integer(pInt) :: e,i,p,myInstance
integer(pInt), dimension(:,:), pointer :: thisSize
character(len=64), dimension(:,:), pointer :: thisOutput
logical :: knownHomogenization
!--------------------------------------------------------------------------------------------------
! parse homogenization from config file
if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) then ! no local material configuration present...
if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) & ! no local material configuration present...
call IO_open_file(fileunit,material_configFile) ! ... open material.config file
endif
call homogenization_isostrain_init(fileunit)
call homogenization_RGC_init(fileunit)
close(fileunit)
@ -173,7 +172,8 @@ subroutine homogenization_init(Temperature)
homogenization_sizeState = 0_pInt
allocate(homogenization_sizePostResults(mesh_maxNips,mesh_NcpElems))
homogenization_sizePostResults = 0_pInt
allocate(materialpoint_heat(mesh_maxNips,mesh_NcpElems))
materialpoint_heat = 0.0_pReal
allocate(materialpoint_dPdF(3,3,3,3,mesh_maxNips,mesh_NcpElems))
materialpoint_dPdF = 0.0_pReal
allocate(materialpoint_F0(3,3,mesh_maxNips,mesh_NcpElems))
@ -185,8 +185,6 @@ subroutine homogenization_init(Temperature)
materialpoint_subF = 0.0_pReal
allocate(materialpoint_P(3,3,mesh_maxNips,mesh_NcpElems))
materialpoint_P = 0.0_pReal
allocate(materialpoint_Temperature(mesh_maxNips,mesh_NcpElems))
materialpoint_Temperature = Temperature
allocate(materialpoint_subFrac(mesh_maxNips,mesh_NcpElems))
materialpoint_subFrac = 0.0_pReal
allocate(materialpoint_subStep(mesh_maxNips,mesh_NcpElems))
@ -204,7 +202,7 @@ subroutine homogenization_init(Temperature)
materialpoint_F = materialpoint_F0
!--------------------------------------------------------------------------------------------------
! allocate and initialize global state and postrestuls variables
! allocate and initialize global state and postresutls variables
elementLooping: do e = 1,mesh_NcpElems
myInstance = homogenization_typeInstance(mesh_element(3,e))
IpLooping: do i = 1,FE_Nips(FE_geomtype(mesh_element(2,e)))
@ -247,38 +245,38 @@ subroutine homogenization_init(Temperature)
+ 1 + constitutive_maxSizePostResults) ! constitutive size & constitutive results
allocate(materialpoint_results(materialpoint_sizeResults,mesh_maxNips,mesh_NcpElems))
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
write(6,'(a)') ' $Id$'
write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
write(6,'(a)') ' $Id$'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt) then
write(6,'(a32,1x,7(i8,1x))') 'homogenization_state0: ', shape(homogenization_state0)
write(6,'(a32,1x,7(i8,1x))') 'homogenization_subState0: ', shape(homogenization_subState0)
write(6,'(a32,1x,7(i8,1x))') 'homogenization_state: ', shape(homogenization_state)
write(6,'(a32,1x,7(i8,1x))') 'homogenization_sizeState: ', shape(homogenization_sizeState)
write(6,'(a32,1x,7(i8,1x))') 'homogenization_sizePostResults: ', shape(homogenization_sizePostResults)
write(6,*)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_dPdF: ', shape(materialpoint_dPdF)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F0: ', shape(materialpoint_F0)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F: ', shape(materialpoint_F)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subF0: ', shape(materialpoint_subF0)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subF: ', shape(materialpoint_subF)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_P: ', shape(materialpoint_P)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_Temperature: ', shape(materialpoint_Temperature)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subFrac: ', shape(materialpoint_subFrac)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subStep: ', shape(materialpoint_subStep)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subdt: ', shape(materialpoint_subdt)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_requested: ', shape(materialpoint_requested)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_converged: ', shape(materialpoint_converged)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_doneAndHappy: ', shape(materialpoint_doneAndHappy)
write(6,*)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_results: ', shape(materialpoint_results)
write(6,*)
write(6,'(a32,1x,7(i8,1x))') 'maxSizeState: ', homogenization_maxSizeState
write(6,'(a32,1x,7(i8,1x))') 'maxSizePostResults: ', homogenization_maxSizePostResults
write(6,'(a32,1x,7(i8,1x))') 'homogenization_state0: ', shape(homogenization_state0)
write(6,'(a32,1x,7(i8,1x))') 'homogenization_subState0: ', shape(homogenization_subState0)
write(6,'(a32,1x,7(i8,1x))') 'homogenization_state: ', shape(homogenization_state)
write(6,'(a32,1x,7(i8,1x))') 'homogenization_sizeState: ', shape(homogenization_sizeState)
write(6,'(a32,1x,7(i8,1x),/)') 'homogenization_sizePostResults: ', shape(homogenization_sizePostResults)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_dPdF: ', shape(materialpoint_dPdF)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F0: ', shape(materialpoint_F0)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F: ', shape(materialpoint_F)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subF0: ', shape(materialpoint_subF0)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subF: ', shape(materialpoint_subF)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_P: ', shape(materialpoint_P)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_heat: ', shape(materialpoint_heat)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subFrac: ', shape(materialpoint_subFrac)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subStep: ', shape(materialpoint_subStep)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_subdt: ', shape(materialpoint_subdt)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_requested: ', shape(materialpoint_requested)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_converged: ', shape(materialpoint_converged)
write(6,'(a32,1x,7(i8,1x),/)') 'materialpoint_doneAndHappy: ', shape(materialpoint_doneAndHappy)
write(6,'(a32,1x,7(i8,1x),/)') 'materialpoint_results: ', shape(materialpoint_results)
write(6,'(a32,1x,7(i8,1x))') 'maxSizeState: ', homogenization_maxSizeState
write(6,'(a32,1x,7(i8,1x))') 'maxSizePostResults: ', homogenization_maxSizePostResults
endif
flush(6)
if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) &
call IO_error(602_pInt,ext_msg='component (grain)')
end subroutine homogenization_init
@ -309,7 +307,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
constitutive_partionedState0, &
constitutive_state
use crystallite, only: &
crystallite_Temperature, &
crystallite_heat, &
crystallite_F0, &
crystallite_Fp0, &
crystallite_Fp, &
@ -319,7 +317,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
crystallite_dPdF0, &
crystallite_Tstar0_v, &
crystallite_Tstar_v, &
crystallite_partionedTemperature0, &
crystallite_partionedF0, &
crystallite_partionedF, &
crystallite_partionedFp0, &
@ -357,13 +354,10 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
!--------------------------------------------------------------------------------------------------
! initialize to starting condition
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt .and. &
debug_e > 0 .and. debug_e <= mesh_NcpElems .and. debug_i > 0 .and. debug_i <= mesh_maxNips) then
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,*)
write(6,'(a,i5,1x,i2)') '<< HOMOG >> Material Point start at el ip ', debug_e, debug_i
write(6,'(a,/,12x,f14.9)') '<< HOMOG >> Temp0', &
materialpoint_Temperature(debug_i,debug_e)
write(6,'(/a,i5,1x,i2)') '<< HOMOG >> Material Point start at el ip ', debug_e, debug_i
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F0', &
math_transpose33(materialpoint_F0(1:3,1:3,debug_i,debug_e))
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F', &
@ -377,7 +371,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains)
constitutive_partionedState0(g,i,e)%p = constitutive_state0(g,i,e)%p ! ...microstructures
crystallite_partionedTemperature0(g,i,e) = materialpoint_Temperature(i,e) ! ...temperatures
crystallite_partionedFp0(1:3,1:3,g,i,e) = crystallite_Fp0(1:3,1:3,g,i,e) ! ...plastic def grads
crystallite_partionedLp0(1:3,1:3,g,i,e) = crystallite_Lp0(1:3,1:3,g,i,e) ! ...plastic velocity grads
crystallite_partioneddPdF0(1:3,1:3,1:3,1:3,g,i,e) = crystallite_dPdF0(1:3,1:3,1:3,1:3,g,i,e) ! ...stiffness
@ -427,7 +420,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
steppingNeeded: if (materialpoint_subStep(i,e) > subStepMinHomog) then
! wind forward grain starting point of...
crystallite_partionedTemperature0(1:myNgrains,i,e) = crystallite_Temperature(1:myNgrains,i,e) ! ...temperatures
crystallite_partionedF0(1:3,1:3,1:myNgrains,i,e) = crystallite_partionedF(1:3,1:3,1:myNgrains,i,e) ! ...def grads
crystallite_partionedFp0(1:3,1:3,1:myNgrains,i,e) = crystallite_Fp(1:3,1:3,1:myNgrains,i,e) ! ...plastic def grads
crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e) = crystallite_Lp(1:3,1:3,1:myNgrains,i,e) ! ...plastic velocity grads
@ -476,8 +468,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
!--------------------------------------------------------------------------------------------------
! restore...
crystallite_Temperature(1:myNgrains,i,e) = crystallite_partionedTemperature0(1:myNgrains,i,e) ! ...temperatures
! ...initial def grad unchanged
crystallite_Fp(1:3,1:3,1:myNgrains,i,e) = crystallite_partionedFp0(1:3,1:3,1:myNgrains,i,e) ! ...plastic def grads
crystallite_Lp(1:3,1:3,1:myNgrains,i,e) = crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e) ! ...plastic velocity grads
crystallite_dPdF(1:3,1:3,1:3,1:3,1:myNgrains,i,e) = crystallite_partioneddPdF0(1:3,1:3,1:3,1:3,1:myNgrains,i,e) ! ...stiffness
@ -575,7 +565,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
elementLooping4: do e = FEsolving_execElem(1),FEsolving_execElem(2)
IpLooping4: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
call homogenization_averageStressAndItsTangent(i,e)
materialpoint_Temperature(i,e) = homogenization_averageTemperature(i,e)
materialpoint_heat(i,e) = homogenization_averageHeat(i,e)
enddo IpLooping4
enddo elementLooping4
!$OMP END PARALLEL DO
@ -639,7 +629,7 @@ subroutine materialpoint_postResults(dt)
grainLooping :do g = 1,myNgrains
theSize = (1 + crystallite_sizePostResults(myCrystallite)) + (1 + constitutive_sizePostResults(g,i,e))
materialpoint_results(thePos+1:thePos+theSize,i,e) = crystallite_postResults(dt,g,i,e) ! tell crystallite results
materialpoint_results(thePos+1:thePos+theSize,i,e) = crystallite_postResults(g,i,e) ! tell crystallite results
thePos = thePos + theSize
enddo grainLooping
enddo IpLooping
@ -677,18 +667,15 @@ subroutine homogenization_partitionDeformation(ip,el)
case (homogenization_isostrain_label) chosenHomogenization
call homogenization_isostrain_partitionDeformation(&
crystallite_partionedF(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
crystallite_partionedF0(1:3,1:3,1:homogenization_maxNgrains,ip,el),&
materialpoint_subF(1:3,1:3,ip,el),&
homogenization_state(ip,el), &
ip, &
el)
case (homogenization_RGC_label) chosenHomogenization
call homogenization_RGC_partitionDeformation(crystallite_partionedF(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
crystallite_partionedF0(1:3,1:3,1:homogenization_maxNgrains,ip,el),&
materialpoint_subF(1:3,1:3,ip,el),&
homogenization_state(ip,el), &
ip, &
el)
call homogenization_RGC_partitionDeformation(&
crystallite_partionedF(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
materialpoint_subF(1:3,1:3,ip,el),&
homogenization_state(ip,el), &
ip, &
el)
end select chosenHomogenization
end subroutine homogenization_partitionDeformation
@ -765,35 +752,35 @@ subroutine homogenization_averageStressAndItsTangent(ip,el)
chosenHomogenization: select case(homogenization_type(mesh_element(3,el)))
case (homogenization_isostrain_label) chosenHomogenization
call homogenization_isostrain_averageStressAndItsTangent(materialpoint_P(1:3,1:3,ip,el), &
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_maxNgrains,ip,el), &
ip, &
el)
call homogenization_isostrain_averageStressAndItsTangent(&
materialpoint_P(1:3,1:3,ip,el), &
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_maxNgrains,ip,el), &
el)
case (homogenization_RGC_label) chosenHomogenization
call homogenization_RGC_averageStressAndItsTangent( materialpoint_P(1:3,1:3,ip,el), &
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_maxNgrains,ip,el), &
ip, &
el)
call homogenization_RGC_averageStressAndItsTangent(&
materialpoint_P(1:3,1:3,ip,el), &
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_maxNgrains,ip,el), &
el)
end select chosenHomogenization
end subroutine homogenization_averageStressAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief derive average temperature from constituent quantities (does not depend on choosen
!> @brief derive average heat from constituent quantities (does not depend on choosen
!! homogenization scheme)
!--------------------------------------------------------------------------------------------------
real(pReal) function homogenization_averageTemperature(ip,el)
real(pReal) function homogenization_averageHeat(ip,el)
use mesh, only: &
mesh_element
use material, only: &
homogenization_Ngrains
use crystallite, only: &
crystallite_Temperature
crystallite_heat
implicit none
integer(pInt), intent(in) :: &
@ -803,11 +790,11 @@ real(pReal) function homogenization_averageTemperature(ip,el)
Ngrains
!--------------------------------------------------------------------------------------------------
! computing the average temperature
! computing the average heat
Ngrains = homogenization_Ngrains(mesh_element(3,el))
homogenization_averageTemperature= sum(crystallite_Temperature(1:Ngrains,ip,el))/real(Ngrains,pReal)
homogenization_averageHeat= sum(crystallite_heat(1:Ngrains,ip,el))/real(Ngrains,pReal)
end function homogenization_averageTemperature
end function homogenization_averageHeat
!--------------------------------------------------------------------------------------------------
@ -835,9 +822,9 @@ function homogenization_postResults(ip,el)
homogenization_postResults = 0.0_pReal
chosenHomogenization: select case (homogenization_type(mesh_element(3,el)))
case (homogenization_isostrain_label) chosenHomogenization
homogenization_postResults = homogenization_isostrain_postResults(homogenization_state(ip,el),ip,el)
homogenization_postResults = homogenization_isostrain_postResults(el)
case (homogenization_RGC_label) chosenHomogenization
homogenization_postResults = homogenization_RGC_postResults(homogenization_state(ip,el),ip,el)
homogenization_postResults = homogenization_RGC_postResults(homogenization_state(ip,el),el)
end select chosenHomogenization
end function homogenization_postResults

View File

@ -77,7 +77,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine homogenization_RGC_init(myFile)
subroutine homogenization_RGC_init(myUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use debug, only: &
debug_level, &
@ -101,7 +101,7 @@ subroutine homogenization_RGC_init(myFile)
use material
implicit none
integer(pInt), intent(in) :: myFile !< file pointer to material configuration
integer(pInt), intent(in) :: myUnit !< file pointer to material configuration
integer(pInt), parameter :: MAXNCHUNKS = 4_pInt
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt) ::section=0_pInt, maxNinstance, i,j,e, output=-1_pInt, mySize, myInstance
@ -130,14 +130,14 @@ subroutine homogenization_RGC_init(myFile)
allocate(homogenization_RGC_orientation(3,3,mesh_maxNips,mesh_NcpElems))
homogenization_RGC_orientation = spread(spread(math_I3,3,mesh_maxNips),4,mesh_NcpElems) ! initialize to identity
rewind(myFile)
rewind(myUnit)
do while (trim(line) /= '#EOF#' .and. IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization) ! wind forward to <homogenization>
line = IO_read(myFile)
line = IO_read(myUnit)
enddo
do while (trim(line) /= '#EOF#')
line = IO_read(myFile)
line = IO_read(myUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
if (IO_getTag(line,'[',']') /= '') then ! next section
@ -199,8 +199,7 @@ subroutine homogenization_RGC_init(myFile)
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt) then
do i = 1_pInt,maxNinstance
write(6,'(a15,1x,i4)') 'instance: ', i
write(6,*)
write(6,'(a15,1x,i4,/)') 'instance: ', i
write(6,'(a25,3(1x,i8))') 'cluster size: ',(homogenization_RGC_Ngrains(j,i),j=1_pInt,3_pInt)
write(6,'(a25,1x,e10.3)') 'scaling parameter: ', homogenization_RGC_xiAlpha(i)
write(6,'(a25,1x,e10.3)') 'over-proportionality: ', homogenization_RGC_ciAlpha(i)
@ -228,11 +227,11 @@ subroutine homogenization_RGC_init(myFile)
mySize = 0_pInt
end select
if (mySize > 0_pInt) then ! any meaningful output found
outputFound: if (mySize > 0_pInt) then
homogenization_RGC_sizePostResult(j,i) = mySize
homogenization_RGC_sizePostResults(i) = &
homogenization_RGC_sizePostResults(i) + mySize
endif
endif outputFound
enddo
homogenization_RGC_sizeState(i) &
@ -249,7 +248,7 @@ end subroutine homogenization_RGC_init
!--------------------------------------------------------------------------------------------------
!> @brief partitions the deformation gradient onto the constituents
!--------------------------------------------------------------------------------------------------
subroutine homogenization_RGC_partitionDeformation(F,F0,avgF,state,ip,el)
subroutine homogenization_RGC_partitionDeformation(F,avgF,state,ip,el)
use prec, only: &
p_vec
use debug, only: &
@ -268,7 +267,6 @@ subroutine homogenization_RGC_partitionDeformation(F,F0,avgF,state,ip,el)
implicit none
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F !< partioned F per grain
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: F0 !< initial partioned F per grain
real(pReal), dimension (3,3), intent(in) :: avgF !< averaged F
type(p_vec), intent(in) :: state
integer(pInt), intent(in) :: &
@ -427,7 +425,7 @@ function homogenization_RGC_updateState( state, state0,P,F,F0,avgF,dt,dPdF,ip,el
!--------------------------------------------------------------------------------------------------
! calculating volume discrepancy and stress penalty related to overall volume discrepancy
call homogenization_RGC_volumePenalty(D,volDiscrep,F,avgF,ip,el,homID)
call homogenization_RGC_volumePenalty(D,volDiscrep,F,avgF,ip,el)
!--------------------------------------------------------------------------------------------------
! debugging the mismatch, stress and penalties of grains
@ -513,6 +511,7 @@ function homogenization_RGC_updateState( state, state0,P,F,F0,avgF,dt,dPdF,ip,el
endif
homogenization_RGC_updateState = .false.
!--------------------------------------------------------------------------------------------------
! If convergence reached => done and happy
if (residMax < relTol_RGC*stresMax .or. residMax < absTol_RGC) then
@ -521,8 +520,7 @@ function homogenization_RGC_updateState( state, state0,P,F,F0,avgF,dt,dPdF,ip,el
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
.and. debug_e == el .and. debug_i == ip) then
!$OMP CRITICAL (write2out)
write(6,'(1x,a55)')'... done and happy'
write(6,*)' '
write(6,'(1x,a55,/)')'... done and happy'
flush(6)
!$OMP END CRITICAL (write2out)
endif
@ -552,16 +550,14 @@ function homogenization_RGC_updateState( state, state0,P,F,F0,avgF,dt,dPdF,ip,el
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
.and. debug_e == el .and. debug_i == ip) then
!$OMP CRITICAL (write2out)
write(6,'(1x,a30,1x,e15.8)')'Constitutive work: ',constitutiveWork
write(6,'(1x,a30,1x,e15.8)') 'Constitutive work: ',constitutiveWork
write(6,'(1x,a30,3(1x,e15.8))')'Magnitude mismatch: ',sum(NN(1,:))/real(nGrain,pReal), &
sum(NN(2,:))/real(nGrain,pReal), &
sum(NN(3,:))/real(nGrain,pReal)
write(6,'(1x,a30,1x,e15.8)')'Penalty energy: ',penaltyEnergy
write(6,'(1x,a30,1x,e15.8)')'Volume discrepancy: ',volDiscrep
write(6,*)''
write(6,'(1x,a30,1x,e15.8)')'Maximum relaxation rate: ',maxval(abs(drelax))/dt
write(6,'(1x,a30,1x,e15.8)')'Average relaxation rate: ',sum(abs(drelax))/dt/real(3_pInt*nIntFaceTot,pReal)
write(6,*)''
write(6,'(1x,a30,1x,e15.8)') 'Penalty energy: ',penaltyEnergy
write(6,'(1x,a30,1x,e15.8,/)') 'Volume discrepancy: ',volDiscrep
write(6,'(1x,a30,1x,e15.8)') 'Maximum relaxation rate: ',maxval(abs(drelax))/dt
write(6,'(1x,a30,1x,e15.8,/)') 'Average relaxation rate: ',sum(abs(drelax))/dt/real(3_pInt*nIntFaceTot,pReal)
flush(6)
!$OMP END CRITICAL (write2out)
endif
@ -577,8 +573,7 @@ function homogenization_RGC_updateState( state, state0,P,F,F0,avgF,dt,dPdF,ip,el
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
.and. debug_e == el .and. debug_i == ip) then
!$OMP CRITICAL (write2out)
write(6,'(1x,a55)')'... broken'
write(6,*)' '
write(6,'(1x,a55,/)')'... broken'
flush(6)
!$OMP END CRITICAL (write2out)
endif
@ -589,8 +584,7 @@ function homogenization_RGC_updateState( state, state0,P,F,F0,avgF,dt,dPdF,ip,el
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
.and. debug_e == el .and. debug_i == ip) then
!$OMP CRITICAL (write2out)
write(6,'(1x,a55)')'... not yet done'
write(6,*)' '
write(6,'(1x,a55,/)')'... not yet done'
flush(6)
!$OMP END CRITICAL (write2out)
endif
@ -668,9 +662,9 @@ function homogenization_RGC_updateState( state, state0,P,F,F0,avgF,dt,dPdF,ip,el
p_relax = relax
p_relax(ipert) = relax(ipert) + pPert_RGC ! perturb the relaxation vector
state%p(1:3*nIntFaceTot) = p_relax
call homogenization_RGC_grainDeformation(pF,F0,avgF,state,ip,el) ! compute the grains deformation from perturbed state
call homogenization_RGC_grainDeformation(pF,avgF,state,ip,el) ! compute the grains deformation from perturbed state
call homogenization_RGC_stressPenalty(pR,pNN,avgF,pF,ip,el,homID) ! compute stress penalty due to interface mismatch from perturbed state
call homogenization_RGC_volumePenalty(pD,volDiscrep,pF,avgF,ip,el,homID) ! compute stress penalty due to volume discrepancy from perturbed state
call homogenization_RGC_volumePenalty(pD,volDiscrep,pF,avgF,ip,el) ! compute stress penalty due to volume discrepancy from perturbed state
!--------------------------------------------------------------------------------------------------
! computing the global stress residual array from the perturbed state
@ -814,9 +808,7 @@ end function homogenization_RGC_updateState
!--------------------------------------------------------------------------------------------------
!> @brief derive average stress and stiffness from constituent quantities
!--------------------------------------------------------------------------------------------------
subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,ip,el )
use prec, only: &
p_vec
subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,el)
use debug, only: &
debug_level, &
debug_homogenization,&
@ -826,15 +818,14 @@ subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,
use math, only: math_Plain3333to99
implicit none
real(pReal), dimension (3,3), intent(out) :: avgP ! average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF ! average stiffness at material point
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P ! array of current grain stresses
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF ! array of current grain stiffnesses
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P !< array of current grain stresses
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF !< array of current grain stiffnesses
integer(pInt), intent(in) :: el !< element number
real(pReal), dimension (9,9) :: dPdF99
integer(pInt), intent(in) :: &
ip, & ! integration point number
el ! element number
integer(pInt) homID, i, j, Ngrains, iGrain
integer(pInt) :: homID, i, j, Ngrains, iGrain
homID = homogenization_typeInstance(mesh_element(3,el))
Ngrains = homogenization_Ngrains(mesh_element(3,el))
@ -866,7 +857,7 @@ end subroutine homogenization_RGC_averageStressAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief return array of homogenization results for post file inclusion
!--------------------------------------------------------------------------------------------------
pure function homogenization_RGC_postResults(state,ip,el)
pure function homogenization_RGC_postResults(state,el)
use prec, only: &
p_vec
use mesh, only: &
@ -877,9 +868,7 @@ pure function homogenization_RGC_postResults(state,ip,el)
implicit none
type(p_vec), intent(in) :: state ! my State
integer(pInt), intent(in) :: &
ip, & ! integration point number
el ! element number
integer(pInt), intent(in) :: el ! element number
integer(pInt) homID,o,c,nIntFaceTot
real(pReal), dimension(homogenization_RGC_sizePostResults(homogenization_typeInstance(mesh_element(3,el)))) :: &
homogenization_RGC_postResults
@ -943,10 +932,10 @@ subroutine homogenization_RGC_stressPenalty(rPen,nMis,avgF,fDef,ip,el,homID)
xSmoo_RGC
implicit none
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: rPen ! stress-like penalty
real(pReal), dimension (3,homogenization_maxNgrains), intent(out) :: nMis ! total amount of mismatch
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: fDef ! deformation gradients
real(pReal), dimension (3,3), intent(in) :: avgF ! initial effective stretch tensor
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: rPen !< stress-like penalty
real(pReal), dimension (3,homogenization_maxNgrains), intent(out) :: nMis !< total amount of mismatch
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: fDef !< deformation gradients
real(pReal), dimension (3,3), intent(in) :: avgF !< initial effective stretch tensor
integer(pInt), intent(in) :: ip,el
integer(pInt), dimension (4) :: intFace
integer(pInt), dimension (3) :: iGrain3,iGNghb3,nGDim
@ -960,7 +949,6 @@ subroutine homogenization_RGC_stressPenalty(rPen,nMis,avgF,fDef,ip,el,homID)
real(pReal), parameter :: nDefToler = 1.0e-10_pReal
nGDim = homogenization_RGC_Ngrains(1:3,homID)
rPen = 0.0_pReal
nMis = 0.0_pReal
@ -1064,7 +1052,7 @@ end subroutine homogenization_RGC_stressPenalty
!--------------------------------------------------------------------------------------------------
!> @brief calculate stress-like penalty due to volume discrepancy
!--------------------------------------------------------------------------------------------------
subroutine homogenization_RGC_volumePenalty(vPen,vDiscrep,fDef,fAvg,ip,el, homID)
subroutine homogenization_RGC_volumePenalty(vPen,vDiscrep,fDef,fAvg,ip,el)
use debug, only: &
debug_level, &
debug_homogenization,&
@ -1092,7 +1080,7 @@ subroutine homogenization_RGC_volumePenalty(vPen,vDiscrep,fDef,fAvg,ip,el, homID
integer(pInt), intent(in) :: ip,& ! integration point
el
real(pReal), dimension (homogenization_maxNgrains) :: gVol
integer(pInt) :: homID,iGrain,nGrain,i,j
integer(pInt) :: iGrain,nGrain,i,j
nGrain = homogenization_Ngrains(mesh_element(3,el))
@ -1434,7 +1422,7 @@ end function homogenization_RGC_interface1to4
!> @brief calculating the grain deformation gradient (the same with
! homogenization_RGC_partionDeformation, but used only for perturbation scheme)
!--------------------------------------------------------------------------------------------------
subroutine homogenization_RGC_grainDeformation(F, F0, avgF, state, ip, el)
subroutine homogenization_RGC_grainDeformation(F, avgF, state, ip, el)
use prec, only: &
p_vec
use mesh, only: &
@ -1446,7 +1434,6 @@ subroutine homogenization_RGC_grainDeformation(F, F0, avgF, state, ip, el)
implicit none
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F !< partioned F per grain
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: F0 !< initiatial partioned F per grain
real(pReal), dimension (3,3), intent(in) :: avgF !<
type(p_vec), intent(in) :: state
integer(pInt), intent(in) :: &

View File

@ -55,7 +55,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine homogenization_isostrain_init(myFile)
subroutine homogenization_isostrain_init(myUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use math, only: &
math_Mandel3333to66, &
@ -64,7 +64,7 @@ subroutine homogenization_isostrain_init(myFile)
use material
implicit none
integer(pInt), intent(in) :: myFile
integer(pInt), intent(in) :: myUnit
integer(pInt), parameter :: MAXNCHUNKS = 2_pInt
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt) :: &
@ -96,15 +96,15 @@ subroutine homogenization_isostrain_init(myFile)
allocate(homogenization_isostrain_output(maxval(homogenization_Noutput),maxNinstance))
homogenization_isostrain_output = ''
rewind(myFile)
rewind(myUnit)
section = 0_pInt
do while (trim(line) /= '#EOF#' .and. IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization) ! wind forward to <homogenization>
line = IO_read(myFile)
line = IO_read(myUnit)
enddo
do while (trim(line) /= '#EOF#')
line = IO_read(myFile)
line = IO_read(myUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
if (IO_getTag(line,'[',']') /= '') then ! next section
@ -120,7 +120,7 @@ subroutine homogenization_isostrain_init(myFile)
case ('(output)')
output = output + 1_pInt
homogenization_isostrain_output(output,i) = IO_lc(IO_stringValue(line,positions,2_pInt))
case ('ngrains')
case ('ngrains','ncomponents')
homogenization_isostrain_Ngrains(i) = IO_intValue(line,positions,2_pInt)
case ('mapping')
homogenization_isostrain_mapping(i) = IO_lc(IO_stringValue(line,positions,2_pInt))
@ -134,17 +134,17 @@ subroutine homogenization_isostrain_init(myFile)
do j = 1_pInt,maxval(homogenization_Noutput)
select case(homogenization_isostrain_output(j,i))
case('ngrains')
case('ngrains','ncomponents')
mySize = 1_pInt
case default
mySize = 0_pInt
end select
if (mySize > 0_pInt) then ! any meaningful output found
outputFound: if (mySize > 0_pInt) then
homogenization_isostrain_sizePostResult(j,i) = mySize
homogenization_isostrain_sizePostResults(i) = &
homogenization_isostrain_sizePostResults(i) + mySize
endif
homogenization_isostrain_sizePostResults(i) + mySize
endif outputFound
enddo
enddo
@ -154,10 +154,9 @@ end subroutine homogenization_isostrain_init
!--------------------------------------------------------------------------------------------------
!> @brief partitions the deformation gradient onto the constituents
!--------------------------------------------------------------------------------------------------
subroutine homogenization_isostrain_partitionDeformation(F,F0,avgF,state,ip,el)
subroutine homogenization_isostrain_partitionDeformation(F,avgF,el)
use prec, only: &
pReal, &
p_vec
pReal
use mesh, only: &
mesh_element
use material, only: &
@ -165,12 +164,9 @@ subroutine homogenization_isostrain_partitionDeformation(F,F0,avgF,state,ip,el)
homogenization_Ngrains
implicit none
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F ! partioned def grad per grain
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: F0 ! initial partioned def grad per grain
real(pReal), dimension (3,3), intent(in) :: avgF ! my average def grad
type(p_vec), intent(in) :: state ! my state
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F !< partioned def grad per grain
real(pReal), dimension (3,3), intent(in) :: avgF !< my average def grad
integer(pInt), intent(in) :: &
ip, & !< integration point number
el !< element number
F = spread(avgF,3,homogenization_Ngrains(mesh_element(3,el)))
@ -181,7 +177,7 @@ end subroutine homogenization_isostrain_partitionDeformation
!--------------------------------------------------------------------------------------------------
!> @brief derive average stress and stiffness from constituent quantities
!--------------------------------------------------------------------------------------------------
subroutine homogenization_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,ip,el)
subroutine homogenization_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,el)
use prec, only: &
pReal
use mesh, only: &
@ -196,9 +192,7 @@ subroutine homogenization_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P !< array of current grain stresses
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF !< array of current grain stiffnesses
integer(pInt), intent(in) :: &
ip, & !< integration point number
el !< element number
integer(pInt), intent(in) :: el !< element number
integer(pInt) :: &
homID, &
Ngrains
@ -224,10 +218,9 @@ end subroutine homogenization_isostrain_averageStressAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief return array of homogenization results for post file inclusion
!--------------------------------------------------------------------------------------------------
pure function homogenization_isostrain_postResults(state,ip,el)
pure function homogenization_isostrain_postResults(el)
use prec, only: &
pReal,&
p_vec
pReal
use mesh, only: &
mesh_element
use material, only: &
@ -235,10 +228,7 @@ pure function homogenization_isostrain_postResults(state,ip,el)
homogenization_Noutput
implicit none
type(p_vec), intent(in) :: state
integer(pInt), intent(in) :: &
ip, & !< integration point number
el !< element number
integer(pInt), intent(in) :: el !< element number
real(pReal), dimension(homogenization_isostrain_sizePostResults &
(homogenization_typeInstance(mesh_element(3,el)))) :: &
homogenization_isostrain_postResults
@ -253,7 +243,7 @@ pure function homogenization_isostrain_postResults(state,ip,el)
do o = 1_pInt,homogenization_Noutput(mesh_element(3,el))
select case(homogenization_isostrain_output(o,homID))
case ('ngrains')
case ('ngrains','ncomponents')
homogenization_isostrain_postResults(c+1_pInt) = real(homogenization_isostrain_Ngrains(homID),pReal)
c = c + 1_pInt
end select

View File

@ -122,14 +122,17 @@ module material
homogenization_active
public :: material_init
public :: &
material_init
private :: &
material_parseHomogenization, &
material_parseMicrostructure, &
material_parseCrystallite, &
material_parsePhase, &
material_parseTexture, &
material_populateGrains
private :: material_parseHomogenization, &
material_parseMicrostructure, &
material_parseCrystallite, &
material_parsePhase, &
material_parseTexture, &
material_populateGrains
contains

View File

@ -669,7 +669,7 @@ integer(pInt) function mesh_FEasCP(what,myID)
return
endif
do while (upper-lower > 1_pInt) ! binary search in between bounds
binarySearch: do while (upper-lower > 1_pInt)
center = (lower+upper)/2_pInt
if (lookupMap(1_pInt,center) < myID) then
lower = center
@ -679,7 +679,7 @@ integer(pInt) function mesh_FEasCP(what,myID)
mesh_FEasCP = lookupMap(2_pInt,center)
exit
endif
enddo
enddo binarySearch
end function mesh_FEasCP

View File

@ -60,7 +60,6 @@ module numerics
stepIncreaseCryst = 1.5_pReal, & !< increase of next substep size when previous substep converged in crystallite
stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization
rTol_crystalliteState = 1.0e-6_pReal, & !< relative tolerance in crystallite state loop
rTol_crystalliteTemperature= 1.0e-6_pReal, & !< relative tolerance in crystallite temperature loop
rTol_crystalliteStress = 1.0e-6_pReal, & !< relative tolerance in crystallite stress loop
aTol_crystalliteStress = 1.0e-8_pReal, & !< absolute tolerance in crystallite stress loop, Default 1.0e-8: residuum is in Lp and hence strain is on this order
numerics_unitlength = 1.0_pReal, & !< determines the physical length of one computational length unit
@ -222,8 +221,6 @@ subroutine numerics_init
stepIncreaseHomog = IO_floatValue(line,positions,2_pInt)
case ('rtol_crystallitestate')
rTol_crystalliteState = IO_floatValue(line,positions,2_pInt)
case ('rtol_crystallitetemperature')
rTol_crystalliteTemperature = IO_floatValue(line,positions,2_pInt)
case ('rtol_crystallitestress')
rTol_crystalliteStress = IO_floatValue(line,positions,2_pInt)
case ('atol_crystallitestress')
@ -377,7 +374,6 @@ subroutine numerics_init
write(6,'(a24,1x,i8)') ' nState: ',nState
write(6,'(a24,1x,i8)') ' nStress: ',nStress
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteTemp: ',rTol_crystalliteTemperature
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteStress: ',rTol_crystalliteStress
write(6,'(a24,1x,es8.1)') ' aTol_crystalliteStress: ',aTol_crystalliteStress
write(6,'(a24,2(1x,i8))') ' integrator: ',numerics_integrator
@ -469,7 +465,6 @@ subroutine numerics_init
if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog')
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog')
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteState')
if (rTol_crystalliteTemperature <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteTemperature')
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteStress')
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='aTol_crystalliteStress')
if (any(numerics_integrator <= 0_pInt) .or. any(numerics_integrator >= 6_pInt)) &