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Merge branch 'nonlocal-standard-access' into 'development' 

Using consistent access pattern

See merge request damask/DAMASK!520
This commit is contained in:
Sharan Roongta 2022-02-13 17:33:35 +00:00
parent 5f7a18c32d b43695067d
commit 26979da585
10 changed files with 253 additions and 300 deletions
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3
src/CPFEM.f90
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@ -192,11 +192,10 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
else validCalculation else validCalculation
if (debugCPFEM%extensive) print'(a,i8,1x,i2)', '<< CPFEM >> calculation for elFE ip ',elFE,ip if (debugCPFEM%extensive) print'(a,i8,1x,i2)', '<< CPFEM >> calculation for elFE ip ',elFE,ip
call homogenization_mechanical_response(dt,[ip,ip],[elCP,elCP]) call homogenization_mechanical_response(dt,(elCP-1)*discretization_nIPs + ip,(elCP-1)*discretization_nIPs + ip)
if (.not. terminallyIll) & if (.not. terminallyIll) &
call homogenization_mechanical_response2(dt,[ip,ip],[elCP,elCP]) call homogenization_mechanical_response2(dt,[ip,ip],[elCP,elCP])
terminalIllness: if (terminallyIll) then terminalIllness: if (terminallyIll) then
call random_number(rnd) call random_number(rnd)

4
src/grid/spectral_utilities.f90
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@ -812,9 +812,9 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
homogenization_F = reshape(F,[3,3,product(cells(1:2))*cells3]) ! set materialpoint target F to estimated field homogenization_F = reshape(F,[3,3,product(cells(1:2))*cells3]) ! set materialpoint target F to estimated field
call homogenization_mechanical_response(Delta_t,[1,1],[1,product(cells(1:2))*cells3]) ! calculate P field call homogenization_mechanical_response(Delta_t,1,product(cells(1:2))*cells3) ! calculate P field
if (.not. terminallyIll) & if (.not. terminallyIll) &
call homogenization_thermal_response(Delta_t,[1,1],[1,product(cells(1:2))*cells3]) call homogenization_thermal_response(Delta_t,1,product(cells(1:2))*cells3)
if (.not. terminallyIll) & if (.not. terminallyIll) &
call homogenization_mechanical_response2(Delta_t,[1,1],[1,product(cells(1:2))*cells3]) call homogenization_mechanical_response2(Delta_t,[1,1],[1,product(cells(1:2))*cells3])

106
src/homogenization.f90
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@ -222,14 +222,13 @@ end subroutine homogenization_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief !> @brief
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_mechanical_response(Delta_t,FEsolving_execIP,FEsolving_execElem) subroutine homogenization_mechanical_response(Delta_t,cell_start,cell_end)
real(pReal), intent(in) :: Delta_t !< time increment real(pReal), intent(in) :: Delta_t !< time increment
integer, dimension(2), intent(in) :: FEsolving_execElem, FEsolving_execIP integer, intent(in) :: &
cell_start, cell_end
integer :: & integer :: &
NiterationMPstate, & NiterationMPstate, &
ip, & !< integration point number
el, & !< element number
co, ce, ho, en co, ce, ho, en
logical :: & logical :: &
converged converged
@ -237,45 +236,42 @@ subroutine homogenization_mechanical_response(Delta_t,FEsolving_execIP,FEsolving
doneAndHappy doneAndHappy
!$OMP PARALLEL DO PRIVATE(ce,en,ho,NiterationMPstate,converged,doneAndHappy) !$OMP PARALLEL DO PRIVATE(en,ho,co,NiterationMPstate,converged,doneAndHappy)
do el = FEsolving_execElem(1),FEsolving_execElem(2) do ce = cell_start, cell_end
do ip = FEsolving_execIP(1),FEsolving_execIP(2) en = material_homogenizationEntry(ce)
ce = (el-1)*discretization_nIPs + ip ho = material_homogenizationID(ce)
en = material_homogenizationEntry(ce)
ho = material_homogenizationID(ce)
call phase_restore(ce,.false.) ! wrong name (is more a forward function) call phase_restore(ce,.false.) ! wrong name (is more a forward function)
if(homogState(ho)%sizeState > 0) homogState(ho)%state(:,en) = homogState(ho)%state0(:,en) if(homogState(ho)%sizeState > 0) homogState(ho)%state(:,en) = homogState(ho)%state0(:,en)
if(damageState_h(ho)%sizeState > 0) damageState_h(ho)%state(:,en) = damageState_h(ho)%state0(:,en) if(damageState_h(ho)%sizeState > 0) damageState_h(ho)%state(:,en) = damageState_h(ho)%state0(:,en)
call damage_partition(ce) call damage_partition(ce)
doneAndHappy = [.false.,.true.] doneAndHappy = [.false.,.true.]
NiterationMPstate = 0 NiterationMPstate = 0
convergenceLooping: do while (.not. (terminallyIll .or. doneAndHappy(1)) & convergenceLooping: do while (.not. (terminallyIll .or. doneAndHappy(1)) &
.and. NiterationMPstate < num%nMPstate) .and. NiterationMPstate < num%nMPstate)
NiterationMPstate = NiterationMPstate + 1 NiterationMPstate = NiterationMPstate + 1
call mechanical_partition(homogenization_F(1:3,1:3,ce),ce) call mechanical_partition(homogenization_F(1:3,1:3,ce),ce)
converged = all([(phase_mechanical_constitutive(Delta_t,co,ip,el),co=1,homogenization_Nconstituents(ho))]) converged = all([(phase_mechanical_constitutive(Delta_t,co,ce),co=1,homogenization_Nconstituents(ho))])
if (converged) then if (converged) then
doneAndHappy = mechanical_updateState(Delta_t,homogenization_F(1:3,1:3,ce),ce) doneAndHappy = mechanical_updateState(Delta_t,homogenization_F(1:3,1:3,ce),ce)
converged = all(doneAndHappy) converged = all(doneAndHappy)
else else
doneAndHappy = [.true.,.false.] doneAndHappy = [.true.,.false.]
endif end if
enddo convergenceLooping end do convergenceLooping
converged = converged .and. all([(phase_damage_constitutive(Delta_t,co,ip,el),co=1,homogenization_Nconstituents(ho))]) converged = converged .and. all([(phase_damage_constitutive(Delta_t,co,ce),co=1,homogenization_Nconstituents(ho))])
if (.not. converged) then if (.not. converged) then
if (.not. terminallyIll) print*, ' Cell ', ce, ' terminally ill' if (.not. terminallyIll) print*, ' Cell ', ce, ' terminally ill'
terminallyIll = .true. terminallyIll = .true.
endif end if
enddo end do
enddo
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
end subroutine homogenization_mechanical_response end subroutine homogenization_mechanical_response
@ -284,31 +280,27 @@ end subroutine homogenization_mechanical_response
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief !> @brief
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_thermal_response(Delta_t,FEsolving_execIP,FEsolving_execElem) subroutine homogenization_thermal_response(Delta_t,cell_start,cell_end)
real(pReal), intent(in) :: Delta_t !< time increment real(pReal), intent(in) :: Delta_t !< time increment
integer, dimension(2), intent(in) :: FEsolving_execElem, FEsolving_execIP integer, intent(in) :: &
cell_start, cell_end
integer :: & integer :: &
ip, & !< integration point number
el, & !< element number
co, ce, ho co, ce, ho
!$OMP PARALLEL DO PRIVATE(ho,ce) !$OMP PARALLEL DO PRIVATE(ho)
do el = FEsolving_execElem(1),FEsolving_execElem(2) do ce = cell_start, cell_end
if (terminallyIll) continue if (terminallyIll) continue
do ip = FEsolving_execIP(1),FEsolving_execIP(2) ho = material_homogenizationID(ce)
ce = (el-1)*discretization_nIPs + ip call thermal_partition(ce)
ho = material_homogenizationID(ce) do co = 1, homogenization_Nconstituents(ho)
call thermal_partition(ce) if (.not. phase_thermal_constitutive(Delta_t,material_phaseID(co,ce),material_phaseEntry(co,ce))) then
do co = 1, homogenization_Nconstituents(ho) if (.not. terminallyIll) print*, ' Cell ', ce, ' terminally ill'
if (.not. phase_thermal_constitutive(Delta_t,material_phaseID(co,ce),material_phaseEntry(co,ce))) then terminallyIll = .true.
if (.not. terminallyIll) print*, ' Cell ', ce, ' terminally ill' end if
terminallyIll = .true. end do
endif end do
enddo
enddo
enddo
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
end subroutine homogenization_thermal_response end subroutine homogenization_thermal_response
@ -331,11 +323,11 @@ subroutine homogenization_mechanical_response2(Delta_t,FEsolving_execIP,FEsolvin
elementLooping3: do el = FEsolving_execElem(1),FEsolving_execElem(2) elementLooping3: do el = FEsolving_execElem(1),FEsolving_execElem(2)
IpLooping3: do ip = FEsolving_execIP(1),FEsolving_execIP(2) IpLooping3: do ip = FEsolving_execIP(1),FEsolving_execIP(2)
ce = (el-1)*discretization_nIPs + ip ce = (el-1)*discretization_nIPs + ip
ho = material_homogenizationID(ce) ho = material_homogenizationID(ce)
do co = 1, homogenization_Nconstituents(ho) do co = 1, homogenization_Nconstituents(ho)
call crystallite_orientations(co,ip,el) call crystallite_orientations(co,ip,el)
enddo enddo
call mechanical_homogenize(Delta_t,ce) call mechanical_homogenize(Delta_t,ce)
enddo IpLooping3 enddo IpLooping3
enddo elementLooping3 enddo elementLooping3
!$OMP END PARALLEL DO !$OMP END PARALLEL DO

81
src/material.f90
View File

@ -17,16 +17,17 @@ module material
implicit none implicit none
private private
type :: tRotationContainer type, public :: tRotationContainer
type(tRotation), dimension(:), allocatable :: data type(tRotation), dimension(:), allocatable :: data
end type end type tRotationContainer
type :: tTensorContainer
type, public :: tTensorContainer
real(pReal), dimension(:,:,:), allocatable :: data real(pReal), dimension(:,:,:), allocatable :: data
end type end type tTensorContainer
type(tRotationContainer), dimension(:), allocatable :: material_O_0 type(tRotationContainer), dimension(:), allocatable, public, protected :: material_O_0
type(tTensorContainer), dimension(:), allocatable :: material_F_i_0 type(tTensorContainer), dimension(:), allocatable, public, protected :: material_F_i_0
integer, dimension(:), allocatable, public, protected :: & integer, dimension(:), allocatable, public, protected :: &
homogenization_Nconstituents !< number of grains in each homogenization homogenization_Nconstituents !< number of grains in each homogenization
@ -37,20 +38,14 @@ module material
material_name_phase, & !< name of each phase material_name_phase, & !< name of each phase
material_name_homogenization !< name of each homogenization material_name_homogenization !< name of each homogenization
integer, dimension(:), allocatable, public, protected :: & ! (elem) integer, dimension(:), allocatable, public, protected :: & ! (cell)
material_homogenizationID, & !< per cell TODO: material_ID_homogenization material_homogenizationID, & ! TODO: rename to material_ID_homogenization
material_homogenizationEntry !< per cell TODO: material_entry_homogenization material_homogenizationEntry ! TODO: rename to material_entry_homogenization
integer, dimension(:,:), allocatable, public, protected :: & ! (constituent,elem) integer, dimension(:,:), allocatable, public, protected :: & ! (constituent,cell)
material_phaseAt, & !< phase ID of each element TODO: remove material_phaseID, & ! TODO: rename to material_ID_phase
material_phaseID, & !< per (constituent,cell) TODO: material_ID_phase material_phaseEntry ! TODO: rename to material_entry_phase
material_phaseEntry !< per (constituent,cell) TODO: material_entry_phase
integer, dimension(:,:,:), allocatable, public, protected :: & ! (constituent,IP,elem)
material_phaseMemberAt !TODO: remove
public :: & public :: &
tTensorContainer, &
tRotationContainer, &
material_F_i_0, &
material_O_0, &
material_init material_init
contains contains
@ -97,11 +92,12 @@ subroutine parse()
counterPhase, & counterPhase, &
counterHomogenization counterHomogenization
real(pReal) :: & real(pReal) :: v
frac
integer :: & integer :: &
el, ip, co, ma, & el, ip, &
h, ce ho, ph, &
co, ce, &
ma
materials => config_material%get('material') materials => config_material%get('material')
phases => config_material%get('phase') phases => config_material%get('phase')
@ -118,51 +114,48 @@ subroutine parse()
#endif #endif
allocate(homogenization_Nconstituents(homogenizations%length)) allocate(homogenization_Nconstituents(homogenizations%length))
do h=1, homogenizations%length do ho=1, homogenizations%length
homogenization => homogenizations%get(h) homogenization => homogenizations%get(ho)
homogenization_Nconstituents(h) = homogenization%get_asInt('N_constituents') homogenization_Nconstituents(ho) = homogenization%get_asInt('N_constituents')
end do end do
homogenization_maxNconstituents = maxval(homogenization_Nconstituents) homogenization_maxNconstituents = maxval(homogenization_Nconstituents)
allocate(counterPhase(phases%length),source=0) allocate(counterPhase(phases%length),source=0)
allocate(counterHomogenization(homogenizations%length),source=0) allocate(counterHomogenization(homogenizations%length),source=0)
allocate(material_phaseAt(homogenization_maxNconstituents,discretization_Nelems),source=0)
allocate(material_phaseMemberAt(homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems),source=0)
allocate(material_homogenizationID(discretization_nIPs*discretization_Nelems),source=0) allocate(material_homogenizationID(discretization_nIPs*discretization_Nelems),source=0)
allocate(material_homogenizationEntry(discretization_nIPs*discretization_Nelems),source=0) allocate(material_homogenizationEntry(discretization_nIPs*discretization_Nelems),source=0)
allocate(material_phaseID(homogenization_maxNconstituents,discretization_nIPs*discretization_Nelems),source=0) allocate(material_phaseID(homogenization_maxNconstituents,discretization_nIPs*discretization_Nelems),source=0)
allocate(material_phaseEntry(homogenization_maxNconstituents,discretization_nIPs*discretization_Nelems),source=0) allocate(material_phaseEntry(homogenization_maxNconstituents,discretization_nIPs*discretization_Nelems),source=0)
do el = 1, discretization_Nelems do el = 1, discretization_Nelems
material => materials%get(discretization_materialAt(el)) material => materials%get(discretization_materialAt(el))
constituents => material%get('constituents')
ho = homogenizations%getIndex(material%get_asString('homogenization'))
do ip = 1, discretization_nIPs do ip = 1, discretization_nIPs
ce = (el-1)*discretization_nIPs + ip ce = (el-1)*discretization_nIPs + ip
material_homogenizationID(ce) = homogenizations%getIndex(material%get_asString('homogenization')) material_homogenizationID(ce) = ho
counterHomogenization(material_homogenizationID(ce)) = counterHomogenization(material_homogenizationID(ce)) + 1 counterHomogenization(ho) = counterHomogenization(ho) + 1
material_homogenizationEntry(ce) = counterHomogenization(material_homogenizationID(ce)) material_homogenizationEntry(ce) = counterHomogenization(ho)
end do end do
frac = 0.0_pReal v = 0.0_pReal
constituents => material%get('constituents')
do co = 1, constituents%length do co = 1, constituents%length
constituent => constituents%get(co) constituent => constituents%get(co)
frac = frac + constituent%get_asFloat('v') v = v + constituent%get_asFloat('v')
material_phaseAt(co,el) = phases%getIndex(constituent%get_asString('phase')) ph = phases%getIndex(constituent%get_asString('phase'))
do ip = 1, discretization_nIPs do ip = 1, discretization_nIPs
ce = (el-1)*discretization_nIPs + ip ce = (el-1)*discretization_nIPs + ip
counterPhase(material_phaseAt(co,el)) = counterPhase(material_phaseAt(co,el)) + 1 material_phaseID(co,ce) = ph
material_phaseMemberAt(co,ip,el) = counterPhase(material_phaseAt(co,el)) counterPhase(ph) = counterPhase(ph) + 1
material_phaseEntry(co,ce) = counterPhase(material_phaseAt(co,el)) material_phaseEntry(co,ce) = counterPhase(ph)
material_phaseID(co,ce) = material_phaseAt(co,el)
end do end do
end do end do
if (dNeq(frac,1.0_pReal,1.e-12_pReal)) call IO_error(153,ext_msg='constituent') if (dNeq(v,1.0_pReal,1.e-12_pReal)) call IO_error(153,ext_msg='constituent')
end do end do

2
src/mesh/FEM_utilities.f90
View File

@ -150,7 +150,7 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
print'(/,1x,a)', '... evaluating constitutive response ......................................' print'(/,1x,a)', '... evaluating constitutive response ......................................'
call homogenization_mechanical_response(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems]) ! calculate P field call homogenization_mechanical_response(timeinc,1,mesh_maxNips*mesh_NcpElems) ! calculate P field
if (.not. terminallyIll) & if (.not. terminallyIll) &
call homogenization_mechanical_response2(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems]) call homogenization_mechanical_response2(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems])
cutBack = .false. cutBack = .false.

35
src/phase.f90
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@ -228,15 +228,15 @@ module phase
end function phase_thermal_constitutive end function phase_thermal_constitutive
module function phase_damage_constitutive(Delta_t,co,ip,el) result(converged_) module function phase_damage_constitutive(Delta_t,co,ce) result(converged_)
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: co, ip, el integer, intent(in) :: co, ce
logical :: converged_ logical :: converged_
end function phase_damage_constitutive end function phase_damage_constitutive
module function phase_mechanical_constitutive(Delta_t,co,ip,el) result(converged_) module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: co, ip, el integer, intent(in) :: co, ce
logical :: converged_ logical :: converged_
end function phase_mechanical_constitutive end function phase_mechanical_constitutive
@ -264,19 +264,18 @@ module phase
real(pReal) :: f real(pReal) :: f
end function phase_f_T end function phase_f_T
module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e) module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,ip,el)
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
i, & ip, &
e el
type(tRotationContainer), dimension(:), intent(in) :: orientation type(tRotationContainer), dimension(:), intent(in) :: orientation
end subroutine plastic_nonlocal_updateCompatibility end subroutine plastic_nonlocal_updateCompatibility
module subroutine plastic_dependentState(co,ip,el) module subroutine plastic_dependentState(ph,en)
integer, intent(in) :: & integer, intent(in) :: &
co, & !< component-ID of integration point ph, &
ip, & !< integration point en
el !< element
end subroutine plastic_dependentState end subroutine plastic_dependentState
@ -503,8 +502,8 @@ subroutine crystallite_init()
ce, & ce, &
co, & !< counter in integration point component loop co, & !< counter in integration point component loop
ip, & !< counter in integration point loop ip, & !< counter in integration point loop
el !< counter in element loop el, & !< counter in element loop
en, ph
class(tNode), pointer :: & class(tNode), pointer :: &
num_crystallite, & num_crystallite, &
phases phases
@ -543,13 +542,15 @@ subroutine crystallite_init()
phases => config_material%get('phase') phases => config_material%get('phase')
!$OMP PARALLEL DO PRIVATE(ce) !$OMP PARALLEL DO PRIVATE(ce,ph,en)
do el = 1, discretization_Nelems do el = 1, discretization_Nelems
do ip = 1, discretization_nIPs do ip = 1, discretization_nIPs
ce = (el-1)*discretization_nIPs + ip ce = (el-1)*discretization_nIPs + ip
do co = 1,homogenization_Nconstituents(material_homogenizationID(ce)) do co = 1,homogenization_Nconstituents(material_homogenizationID(ce))
en = material_phaseEntry(co,ce)
ph = material_phaseID(co,ce)
call crystallite_orientations(co,ip,el) call crystallite_orientations(co,ip,el)
call plastic_dependentState(co,ip,el) ! update dependent state variables to be consistent with basic states call plastic_dependentState(ph,en) ! update dependent state variables to be consistent with basic states
end do end do
end do end do
end do end do
@ -577,8 +578,8 @@ subroutine crystallite_orientations(co,ip,el)
call phase_O(ph)%data(en)%fromMatrix(transpose(math_rotationalPart(mechanical_F_e(ph,en)))) call phase_O(ph)%data(en)%fromMatrix(transpose(math_rotationalPart(mechanical_F_e(ph,en))))
if (plasticState(material_phaseAt(1,el))%nonlocal) & if (plasticState(material_phaseID(1,(el-1)*discretization_nIPs + ip))%nonlocal) &
call plastic_nonlocal_updateCompatibility(phase_O,material_phaseAt(1,el),ip,el) call plastic_nonlocal_updateCompatibility(phase_O,material_phaseID(1,(el-1)*discretization_nIPs + ip),ip,el)
end subroutine crystallite_orientations end subroutine crystallite_orientations

9
src/phase_damage.f90
View File

@ -127,21 +127,20 @@ end subroutine damage_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculate stress (P) !> @brief calculate stress (P)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module function phase_damage_constitutive(Delta_t,co,ip,el) result(converged_) module function phase_damage_constitutive(Delta_t,co,ce) result(converged_)
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
co, & co, &
ip, & ce
el
logical :: converged_ logical :: converged_
integer :: & integer :: &
ph, en ph, en
ph = material_phaseID(co,(el-1)*discretization_nIPs + ip) ph = material_phaseID(co,ce)
en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip) en = material_phaseEntry(co,ce)
converged_ = .not. integrateDamageState(Delta_t,ph,en) converged_ = .not. integrateDamageState(Delta_t,ph,en)

132
src/phase_mechanical.f90
View File

@ -79,15 +79,12 @@ submodule(phase) mechanical
en en
end subroutine plastic_isotropic_LiAndItsTangent end subroutine plastic_isotropic_LiAndItsTangent
module function plastic_dotState(subdt,co,ip,el,ph,en) result(dotState) module function plastic_dotState(subdt,ph,en) result(dotState)
integer, intent(in) :: & integer, intent(in) :: &
co, & !< constituent
ip, & !< integration point
el, & !< element
ph, & ph, &
en en
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
subdt !< timestep subdt !< timestep
real(pReal), dimension(plasticState(ph)%sizeDotState) :: & real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
dotState dotState
end function plastic_dotState end function plastic_dotState
@ -365,13 +362,11 @@ end subroutine mechanical_results
!> @brief calculation of stress (P) with time integration based on a residuum in Lp and !> @brief calculation of stress (P) with time integration based on a residuum in Lp and
!> intermediate acceleration of the Newton-Raphson correction !> intermediate acceleration of the Newton-Raphson correction
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken) function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
real(pReal), dimension(3,3), intent(in) :: F,subFp0,subFi0 real(pReal), dimension(3,3), intent(in) :: F,subFp0,subFi0
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in):: el, & ! element index integer, intent(in) :: ph, en
ip, & ! integration point index
co ! grain index
real(pReal), dimension(3,3):: Fp_new, & ! plastic deformation gradient at end of timestep real(pReal), dimension(3,3):: Fp_new, & ! plastic deformation gradient at end of timestep
invFp_new, & ! inverse of Fp_new invFp_new, & ! inverse of Fp_new
@ -419,19 +414,13 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
ierr, & ! error indicator for LAPACK ierr, & ! error indicator for LAPACK
o, & o, &
p, & p, &
ph, &
en, &
jacoCounterLp, & jacoCounterLp, &
jacoCounterLi ! counters to check for Jacobian update jacoCounterLi ! counters to check for Jacobian update
logical :: error,broken logical :: error,broken
broken = .true. broken = .true.
call plastic_dependentState(ph,en)
ph = material_phaseID(co,(el-1)*discretization_nIPs + ip)
en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip)
call plastic_dependentState(co,ip,el)
Lpguess = phase_mechanical_Lp(ph)%data(1:3,1:3,en) ! take as first guess Lpguess = phase_mechanical_Lp(ph)%data(1:3,1:3,en) ! take as first guess
Liguess = phase_mechanical_Li(ph)%data(1:3,1:3,en) ! take as first guess Liguess = phase_mechanical_Li(ph)%data(1:3,1:3,en) ! take as first guess
@ -579,37 +568,32 @@ end function integrateStress
!> @brief integrate stress, state with adaptive 1st order explicit Euler method !> @brief integrate stress, state with adaptive 1st order explicit Euler method
!> using Fixed Point Iteration to adapt the stepsize !> using Fixed Point Iteration to adapt the stepsize
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) result(broken) function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0 real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
real(pReal), intent(in),dimension(:) :: subState0 real(pReal), intent(in),dimension(:) :: subState0
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
el, & !< element index in element loop ph, &
ip, & !< integration point index in ip loop en
co !< grain index in grain loop
logical :: & logical :: &
broken broken
integer :: & integer :: &
NiterationState, & !< number of iterations in state loop NiterationState, & !< number of iterations in state loop
ph, &
en, &
sizeDotState sizeDotState
real(pReal) :: & real(pReal) :: &
zeta zeta
real(pReal), dimension(plasticState(material_phaseID(co,(el-1)*discretization_nIPs+ip))%sizeDotState) :: & real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
r, & ! state residuum r, & ! state residuum
dotState dotState
real(pReal), dimension(plasticState(material_phaseID(co,(el-1)*discretization_nIPs+ip))%sizeDotState,2) :: & real(pReal), dimension(plasticState(ph)%sizeDotState,2) :: &
dotState_last dotState_last
ph = material_phaseID(co,(el-1)*discretization_nIPs + ip)
en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip)
broken = .true. broken = .true.
dotState = plastic_dotState(Delta_t, co,ip,el,ph,en) dotState = plastic_dotState(Delta_t,ph,en)
if (any(IEEE_is_NaN(dotState))) return if (any(IEEE_is_NaN(dotState))) return
sizeDotState = plasticState(ph)%sizeDotState sizeDotState = plasticState(ph)%sizeDotState
@ -620,10 +604,10 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) resul
dotState_last(1:sizeDotState,2) = merge(dotState_last(1:sizeDotState,1),0.0, nIterationState > 1) dotState_last(1:sizeDotState,2) = merge(dotState_last(1:sizeDotState,1),0.0, nIterationState > 1)
dotState_last(1:sizeDotState,1) = dotState dotState_last(1:sizeDotState,1) = dotState
broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) broken = integrateStress(F,subFp0,subFi0,Delta_t,ph,en)
if(broken) exit iteration if(broken) exit iteration
dotState = plastic_dotState(Delta_t, co,ip,el,ph,en) dotState = plastic_dotState(Delta_t,ph,en)
if (any(IEEE_is_NaN(dotState))) exit iteration if (any(IEEE_is_NaN(dotState))) exit iteration
zeta = damper(dotState,dotState_last(1:sizeDotState,1),dotState_last(1:sizeDotState,2)) zeta = damper(dotState,dotState_last(1:sizeDotState,1),dotState_last(1:sizeDotState,2))
@ -672,31 +656,26 @@ end function integrateStateFPI
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief integrate state with 1st order explicit Euler method !> @brief integrate state with 1st order explicit Euler method
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function integrateStateEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) result(broken) function integrateStateEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0 real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
real(pReal), intent(in),dimension(:) :: subState0 real(pReal), intent(in),dimension(:) :: subState0
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
el, & !< element index in element loop ph, &
ip, & !< integration point index in ip loop en !< grain index in grain loop
co !< grain index in grain loop
logical :: & logical :: &
broken broken
real(pReal), dimension(plasticState(material_phaseID(co,(el-1)*discretization_nIPs+ip))%sizeDotState) :: & real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
dotState dotState
integer :: & integer :: &
ph, &
en, &
sizeDotState sizeDotState
ph = material_phaseID(co,(el-1)*discretization_nIPs + ip)
en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip)
broken = .true. broken = .true.
dotState = plastic_dotState(Delta_t, co,ip,el,ph,en) dotState = plastic_dotState(Delta_t,ph,en)
if (any(IEEE_is_NaN(dotState))) return if (any(IEEE_is_NaN(dotState))) return
sizeDotState = plasticState(ph)%sizeDotState sizeDotState = plasticState(ph)%sizeDotState
@ -706,7 +685,7 @@ function integrateStateEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) res
broken = plastic_deltaState(ph,en) broken = plastic_deltaState(ph,en)
if(broken) return if(broken) return
broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) broken = integrateStress(F,subFp0,subFi0,Delta_t,ph,en)
end function integrateStateEuler end function integrateStateEuler
@ -714,32 +693,27 @@ end function integrateStateEuler
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state with 1st order Euler method with adaptive step size !> @brief integrate stress, state with 1st order Euler method with adaptive step size
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) result(broken) function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0 real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
real(pReal), intent(in),dimension(:) :: subState0 real(pReal), intent(in),dimension(:) :: subState0
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
el, & !< element index in element loop ph, &
ip, & !< integration point index in ip loop en
co !< grain index in grain loop
logical :: & logical :: &
broken broken
integer :: & integer :: &
ph, &
en, &
sizeDotState sizeDotState
real(pReal), dimension(plasticState(material_phaseID(co,(el-1)*discretization_nIPs+ip))%sizeDotState) :: & real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
r, & r, &
dotState dotState
ph = material_phaseID(co,(el-1)*discretization_nIPs + ip)
en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip)
broken = .true. broken = .true.
dotState = plastic_dotState(Delta_t, co,ip,el,ph,en) dotState = plastic_dotState(Delta_t,ph,en)
if (any(IEEE_is_NaN(dotState))) return if (any(IEEE_is_NaN(dotState))) return
sizeDotState = plasticState(ph)%sizeDotState sizeDotState = plasticState(ph)%sizeDotState
@ -751,10 +725,10 @@ function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip
broken = plastic_deltaState(ph,en) broken = plastic_deltaState(ph,en)
if(broken) return if(broken) return
broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) broken = integrateStress(F,subFp0,subFi0,Delta_t,ph,en)
if(broken) return if(broken) return
dotState = plastic_dotState(Delta_t, co,ip,el,ph,en) dotState = plastic_dotState(Delta_t,ph,en)
if (any(IEEE_is_NaN(dotState))) return if (any(IEEE_is_NaN(dotState))) return
broken = .not. converged(r + 0.5_pReal * dotState * Delta_t, & broken = .not. converged(r + 0.5_pReal * dotState * Delta_t, &
@ -767,12 +741,12 @@ end function integrateStateAdaptiveEuler
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @brief Integrate state (including stress integration) with the classic Runge Kutta method !> @brief Integrate state (including stress integration) with the classic Runge Kutta method
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
function integrateStateRK4(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) result(broken) function integrateStateRK4(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0 real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
real(pReal), intent(in),dimension(:) :: subState0 real(pReal), intent(in),dimension(:) :: subState0
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: co,ip,el integer, intent(in) :: ph, en
logical :: broken logical :: broken
real(pReal), dimension(3,3), parameter :: & real(pReal), dimension(3,3), parameter :: &
@ -787,7 +761,7 @@ function integrateStateRK4(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) resul
B = [1.0_pReal/6.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/6.0_pReal] B = [1.0_pReal/6.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/6.0_pReal]
broken = integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C) broken = integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en,A,B,C)
end function integrateStateRK4 end function integrateStateRK4
@ -795,12 +769,12 @@ end function integrateStateRK4
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @brief Integrate state (including stress integration) with the Cash-Carp method !> @brief Integrate state (including stress integration) with the Cash-Carp method
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
function integrateStateRKCK45(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) result(broken) function integrateStateRKCK45(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en) result(broken)
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0 real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
real(pReal), intent(in),dimension(:) :: subState0 real(pReal), intent(in),dimension(:) :: subState0
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: co,ip,el integer, intent(in) :: ph, en
logical :: broken logical :: broken
real(pReal), dimension(5,5), parameter :: & real(pReal), dimension(5,5), parameter :: &
@ -822,7 +796,7 @@ function integrateStateRKCK45(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) re
13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 1._pReal/4._pReal] 13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 1._pReal/4._pReal]
broken = integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,DB) broken = integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en,A,B,C,DB)
end function integrateStateRKCK45 end function integrateStateRKCK45
@ -831,7 +805,7 @@ end function integrateStateRKCK45
!> @brief Integrate state (including stress integration) with an explicit Runge-Kutta method or an !> @brief Integrate state (including stress integration) with an explicit Runge-Kutta method or an
!! embedded explicit Runge-Kutta method !! embedded explicit Runge-Kutta method
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,DB) result(broken) function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,ph,en,A,B,C,DB) result(broken)
real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0 real(pReal), intent(in),dimension(3,3) :: F_0,F,subFp0,subFi0
real(pReal), intent(in),dimension(:) :: subState0 real(pReal), intent(in),dimension(:) :: subState0
@ -840,28 +814,23 @@ function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,D
real(pReal), dimension(:), intent(in) :: B, C real(pReal), dimension(:), intent(in) :: B, C
real(pReal), dimension(:), intent(in), optional :: DB real(pReal), dimension(:), intent(in), optional :: DB
integer, intent(in) :: & integer, intent(in) :: &
el, & !< element index in element loop ph, &
ip, & !< integration point index in ip loop en
co !< grain index in grain loop
logical :: broken logical :: broken
integer :: & integer :: &
stage, & ! stage index in integration stage loop stage, & ! stage index in integration stage loop
n, & n, &
ph, &
en, &
sizeDotState sizeDotState
real(pReal), dimension(plasticState(material_phaseID(co,(el-1)*discretization_nIPs+ip))%sizeDotState) :: & real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
dotState dotState
real(pReal), dimension(plasticState(material_phaseID(co,(el-1)*discretization_nIPs+ip))%sizeDotState,size(B)) :: & real(pReal), dimension(plasticState(ph)%sizeDotState,size(B)) :: &
plastic_RKdotState plastic_RKdotState
ph = material_phaseID(co,(el-1)*discretization_nIPs + ip)
en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip)
broken = .true. broken = .true.
dotState = plastic_dotState(Delta_t, co,ip,el,ph,en) dotState = plastic_dotState(Delta_t,ph,en)
if (any(IEEE_is_NaN(dotState))) return if (any(IEEE_is_NaN(dotState))) return
sizeDotState = plasticState(ph)%sizeDotState sizeDotState = plasticState(ph)%sizeDotState
@ -879,10 +848,10 @@ function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,D
plasticState(ph)%state(1:sizeDotState,en) = subState0 & plasticState(ph)%state(1:sizeDotState,en) = subState0 &
+ dotState * Delta_t + dotState * Delta_t
broken = integrateStress(F_0 + (F-F_0) * Delta_t*C(stage),subFp0,subFi0,Delta_t*C(stage),co,ip,el) broken = integrateStress(F_0+(F-F_0)*Delta_t*C(stage),subFp0,subFi0,Delta_t*C(stage), ph,en)
if(broken) exit if(broken) exit
dotState = plastic_dotState(Delta_t*C(stage), co,ip,el,ph,en) dotState = plastic_dotState(Delta_t*C(stage), ph,en)
if (any(IEEE_is_NaN(dotState))) exit if (any(IEEE_is_NaN(dotState))) exit
enddo enddo
@ -904,7 +873,7 @@ function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,D
broken = plastic_deltaState(ph,en) broken = plastic_deltaState(ph,en)
if(broken) return if(broken) return
broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) broken = integrateStress(F,subFp0,subFi0,Delta_t,ph,en)
end function integrateStateRK end function integrateStateRK
@ -1006,13 +975,12 @@ end subroutine mechanical_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculate stress (P) !> @brief calculate stress (P)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module function phase_mechanical_constitutive(Delta_t,co,ip,el) result(converged_) module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
co, & co, &
ip, & ce
el
logical :: converged_ logical :: converged_
real(pReal) :: & real(pReal) :: &
@ -1028,16 +996,15 @@ module function phase_mechanical_constitutive(Delta_t,co,ip,el) result(converged
subLi0, & subLi0, &
subF0, & subF0, &
subF subF
real(pReal), dimension(:), allocatable :: subState0 real(pReal), dimension(plasticState(material_phaseID(co,ce))%sizeState) :: subState0
ph = material_phaseID(co,(el-1)*discretization_nIPs + ip) ph = material_phaseID(co,ce)
en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip) en = material_phaseEntry(co,ce)
sizeDotState = plasticState(ph)%sizeDotState
subState0 = plasticState(ph)%state0(:,en)
subLi0 = phase_mechanical_Li0(ph)%data(1:3,1:3,en) subLi0 = phase_mechanical_Li0(ph)%data(1:3,1:3,en)
subLp0 = phase_mechanical_Lp0(ph)%data(1:3,1:3,en) subLp0 = phase_mechanical_Lp0(ph)%data(1:3,1:3,en)
allocate(subState0,source=plasticState(ph)%State0(:,en))
subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,en) subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,en)
subFi0 = phase_mechanical_Fi0(ph)%data(1:3,1:3,en) subFi0 = phase_mechanical_Fi0(ph)%data(1:3,1:3,en)
subF0 = phase_mechanical_F0(ph)%data(1:3,1:3,en) subF0 = phase_mechanical_F0(ph)%data(1:3,1:3,en)
@ -1070,7 +1037,7 @@ module function phase_mechanical_constitutive(Delta_t,co,ip,el) result(converged
subStep = num%subStepSizeCryst * subStep subStep = num%subStepSizeCryst * subStep
phase_mechanical_Fp(ph)%data(1:3,1:3,en) = subFp0 phase_mechanical_Fp(ph)%data(1:3,1:3,en) = subFp0
phase_mechanical_Fi(ph)%data(1:3,1:3,en) = subFi0 phase_mechanical_Fi(ph)%data(1:3,1:3,en) = subFi0
phase_mechanical_S(ph)%data(1:3,1:3,en) = phase_mechanical_S0(ph)%data(1:3,1:3,en) ! why no subS0 ? is S0 of any use? phase_mechanical_S(ph)%data(1:3,1:3,en) = phase_mechanical_S0(ph)%data(1:3,1:3,en)
if (subStep < 1.0_pReal) then ! actual (not initial) cutback if (subStep < 1.0_pReal) then ! actual (not initial) cutback
phase_mechanical_Lp(ph)%data(1:3,1:3,en) = subLp0 phase_mechanical_Lp(ph)%data(1:3,1:3,en) = subLp0
phase_mechanical_Li(ph)%data(1:3,1:3,en) = subLi0 phase_mechanical_Li(ph)%data(1:3,1:3,en) = subLi0
@ -1082,9 +1049,10 @@ module function phase_mechanical_constitutive(Delta_t,co,ip,el) result(converged
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! prepare for integration ! prepare for integration
if (todo) then if (todo) then
sizeDotState = plasticState(ph)%sizeDotState
subF = subF0 & subF = subF0 &
+ subStep * (phase_mechanical_F(ph)%data(1:3,1:3,en) - phase_mechanical_F0(ph)%data(1:3,1:3,en)) + subStep * (phase_mechanical_F(ph)%data(1:3,1:3,en) - phase_mechanical_F0(ph)%data(1:3,1:3,en))
converged_ = .not. integrateState(subF0,subF,subFp0,subFi0,subState0(1:sizeDotState),subStep * Delta_t,co,ip,el) converged_ = .not. integrateState(subF0,subF,subFp0,subFi0,subState0(1:sizeDotState),subStep * Delta_t,ph,en)
endif endif
enddo cutbackLooping enddo cutbackLooping

33
src/phase_mechanical_plastic.f90
View File

@ -160,16 +160,14 @@ submodule(phase:mechanical) plastic
dotState dotState
end function dislotungsten_dotState end function dislotungsten_dotState
module subroutine nonlocal_dotState(Mp,timestep,ph,en,ip,el) module subroutine nonlocal_dotState(Mp,timestep,ph,en)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< MandelStress Mp !< MandelStress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timestep !< substepped crystallite time increment timestep !< substepped crystallite time increment
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
en, & en
ip, & !< current integration point
el !< current element number
end subroutine nonlocal_dotState end subroutine nonlocal_dotState
module subroutine dislotwin_dependentState(T,ph,en) module subroutine dislotwin_dependentState(T,ph,en)
@ -186,12 +184,10 @@ submodule(phase:mechanical) plastic
en en
end subroutine dislotungsten_dependentState end subroutine dislotungsten_dependentState
module subroutine nonlocal_dependentState(ph, en, ip, el) module subroutine nonlocal_dependentState(ph,en)
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
en, & en
ip, & !< current integration point
el !< current element number
end subroutine nonlocal_dependentState end subroutine nonlocal_dependentState
module subroutine plastic_kinehardening_deltaState(Mp,ph,en) module subroutine plastic_kinehardening_deltaState(Mp,ph,en)
@ -301,12 +297,9 @@ end subroutine plastic_LpAndItsTangents
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure !> @brief contains the constitutive equation for calculating the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module function plastic_dotState(subdt,co,ip,el,ph,en) result(dotState) module function plastic_dotState(subdt,ph,en) result(dotState)
integer, intent(in) :: & integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el, & !< element
ph, & ph, &
en en
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -340,7 +333,7 @@ module function plastic_dotState(subdt,co,ip,el,ph,en) result(dotState)
dotState = dislotungsten_dotState(Mp,ph,en) dotState = dislotungsten_dotState(Mp,ph,en)
case (PLASTIC_NONLOCAL_ID) plasticType case (PLASTIC_NONLOCAL_ID) plasticType
call nonlocal_dotState(Mp,subdt,ph,en,ip,el) call nonlocal_dotState(Mp,subdt,ph,en)
dotState = plasticState(ph)%dotState(:,en) dotState = plasticState(ph)%dotState(:,en)
end select plasticType end select plasticType
@ -352,21 +345,13 @@ end function plastic_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calls microstructure function of the different plasticity constitutive models !> @brief calls microstructure function of the different plasticity constitutive models
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_dependentState(co, ip, el) module subroutine plastic_dependentState(ph,en)
integer, intent(in) :: & integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
integer :: &
ph, & ph, &
en en
ph = material_phaseID(co,(el-1)*discretization_nIPs + ip)
en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip)
plasticType: select case (phase_plasticity(ph)) plasticType: select case (phase_plasticity(ph))
case (PLASTIC_DISLOTWIN_ID) plasticType case (PLASTIC_DISLOTWIN_ID) plasticType
@ -376,7 +361,7 @@ module subroutine plastic_dependentState(co, ip, el)
call dislotungsten_dependentState(ph,en) call dislotungsten_dependentState(ph,en)
case (PLASTIC_NONLOCAL_ID) plasticType case (PLASTIC_NONLOCAL_ID) plasticType
call nonlocal_dependentState(ph,en,ip,el) call nonlocal_dependentState(ph,en)
end select plasticType end select plasticType
@ -422,7 +407,7 @@ module function plastic_deltaState(ph, en) result(broken)
broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,en))) broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,en)))
if (.not. broken) then if (.not. broken) then
mySize = plasticState(ph)%sizeDeltaState mySize = plasticState(ph)%sizeDeltaState
plasticState(ph)%deltaState2(1:mySize,en) = plasticState(ph)%deltaState2(1:mySize,en) & plasticState(ph)%deltaState2(1:mySize,en) = plasticState(ph)%deltaState2(1:mySize,en) &
+ plasticState(ph)%deltaState(1:mySize,en) + plasticState(ph)%deltaState(1:mySize,en)
end if end if

148
src/phase_mechanical_plastic_nonlocal.f90
View File

@ -15,6 +15,9 @@ submodule(phase:plastic) nonlocal
type :: tGeometry type :: tGeometry
real(pReal), dimension(:), allocatable :: V_0 real(pReal), dimension(:), allocatable :: V_0
integer, dimension(:,:,:), allocatable :: IPneighborhood
real(pReal), dimension(:,:), allocatable :: IParea, IPcoordinates
real(pReal), dimension(:,:,:), allocatable :: IPareaNormal
end type tGeometry end type tGeometry
type(tGeometry), dimension(:), allocatable :: geom type(tGeometry), dimension(:), allocatable :: geom
@ -123,8 +126,10 @@ submodule(phase:plastic) nonlocal
type :: tNonlocalDependentState type :: tNonlocalDependentState
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
tau_pass, & tau_pass, &
tau_Back tau_Back
real(pReal), allocatable, dimension(:,:,:,:,:) :: &
compatibility
end type tNonlocalDependentState end type tNonlocalDependentState
type :: tNonlocalState type :: tNonlocalState
@ -160,7 +165,6 @@ submodule(phase:plastic) nonlocal
state0 state0
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters
type(tNonlocalDependentState), dimension(:), allocatable :: dependentState type(tNonlocalDependentState), dimension(:), allocatable :: dependentState
contains contains
@ -406,6 +410,10 @@ module function plastic_nonlocal_init() result(myPlasticity)
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,sizeDeltaState,0) ! ToDo: state structure does not follow convention call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,sizeDeltaState,0) ! ToDo: state structure does not follow convention
allocate(geom(ph)%V_0(Nmembers)) allocate(geom(ph)%V_0(Nmembers))
allocate(geom(ph)%IPneighborhood(3,nIPneighbors,Nmembers))
allocate(geom(ph)%IPareaNormal(3,nIPneighbors,Nmembers))
allocate(geom(ph)%IParea(nIPneighbors,Nmembers))
allocate(geom(ph)%IPcoordinates(3,Nmembers))
call storeGeometry(ph) call storeGeometry(ph)
if(plasticState(ph)%nonlocal .and. .not. allocated(IPneighborhood)) & if(plasticState(ph)%nonlocal .and. .not. allocated(IPneighborhood)) &
@ -489,6 +497,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
allocate(dst%tau_pass(prm%sum_N_sl,Nmembers),source=0.0_pReal) allocate(dst%tau_pass(prm%sum_N_sl,Nmembers),source=0.0_pReal)
allocate(dst%tau_back(prm%sum_N_sl,Nmembers),source=0.0_pReal) allocate(dst%tau_back(prm%sum_N_sl,Nmembers),source=0.0_pReal)
allocate(dst%compatibility(2,maxval(param%sum_N_sl),maxval(param%sum_N_sl),nIPneighbors,Nmembers),source=0.0_pReal)
end associate end associate
if (Nmembers > 0) call stateInit(ini,ph,Nmembers) if (Nmembers > 0) call stateInit(ini,ph,Nmembers)
@ -543,13 +552,11 @@ end function plastic_nonlocal_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates quantities characterizing the microstructure !> @brief calculates quantities characterizing the microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine nonlocal_dependentState(ph, en, ip, el) module subroutine nonlocal_dependentState(ph, en)
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
en, & en
ip, &
el
integer :: & integer :: &
no, & !< neighbor offset no, & !< neighbor offset
@ -650,12 +657,12 @@ module subroutine nonlocal_dependentState(ph, en, ip, el)
nRealNeighbors = 0.0_pReal nRealNeighbors = 0.0_pReal
neighbor_rhoTotal = 0.0_pReal neighbor_rhoTotal = 0.0_pReal
do n = 1,nIPneighbors do n = 1,nIPneighbors
neighbor_el = IPneighborhood(1,n,ip,el) neighbor_el = geom(ph)%IPneighborhood(1,n,en)
neighbor_ip = IPneighborhood(2,n,ip,el) neighbor_ip = geom(ph)%IPneighborhood(2,n,en)
no = material_phasememberAt(1,neighbor_ip,neighbor_el)
if (neighbor_el > 0 .and. neighbor_ip > 0) then
if (material_phaseAt(1,neighbor_el) == ph) then
if (neighbor_el > 0 .and. neighbor_ip > 0) then
if (material_phaseID(1,(neighbor_el-1)*discretization_nIPs + neighbor_ip) == ph) then
no = material_phaseEntry(1,(neighbor_el-1)*discretization_nIPs + neighbor_ip)
nRealNeighbors = nRealNeighbors + 1.0_pReal nRealNeighbors = nRealNeighbors + 1.0_pReal
rho_neighbor0 = getRho0(ph,no) rho_neighbor0 = getRho0(ph,no)
@ -665,11 +672,11 @@ module subroutine nonlocal_dependentState(ph, en, ip, el)
neighbor_rhoTotal(1,:,n) = sum(abs(rho_neighbor0(:,edg)),2) neighbor_rhoTotal(1,:,n) = sum(abs(rho_neighbor0(:,edg)),2)
neighbor_rhoTotal(2,:,n) = sum(abs(rho_neighbor0(:,scr)),2) neighbor_rhoTotal(2,:,n) = sum(abs(rho_neighbor0(:,scr)),2)
connection_latticeConf(1:3,n) = matmul(invFe, discretization_IPcoords(1:3,neighbor_el+neighbor_ip-1) & connection_latticeConf(1:3,n) = matmul(invFe, geom(ph)%IPcoordinates(1:3,no) &
- discretization_IPcoords(1:3,el+neighbor_ip-1)) - geom(ph)%IPcoordinates(1:3,en))
normal_latticeConf = matmul(transpose(invFp), IPareaNormal(1:3,n,ip,el)) normal_latticeConf = matmul(transpose(invFp), geom(ph)%IPareaNormal(1:3,n,en))
if (math_inner(normal_latticeConf,connection_latticeConf(1:3,n)) < 0.0_pReal) & ! neighboring connection points in opposite direction to face normal: must be periodic image if (math_inner(normal_latticeConf,connection_latticeConf(1:3,n)) < 0.0_pReal) & ! neighboring connection points in opposite direction to face normal: must be periodic image
connection_latticeConf(1:3,n) = normal_latticeConf * IPvolume(ip,el)/IParea(n,ip,el) ! instead take the surface normal scaled with the diameter of the cell connection_latticeConf(1:3,n) = normal_latticeConf * geom(ph)%V_0(en)/geom(ph)%IParea(n,en) ! instead take the surface normal scaled with the diameter of the cell
else else
! local neighbor or different lattice structure or different constitution instance -> use central values instead ! local neighbor or different lattice structure or different constitution instance -> use central values instead
connection_latticeConf(1:3,n) = 0.0_pReal connection_latticeConf(1:3,n) = 0.0_pReal
@ -939,7 +946,7 @@ end subroutine plastic_nonlocal_deltaState
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
module subroutine nonlocal_dotState(Mp,timestep, & module subroutine nonlocal_dotState(Mp,timestep, &
ph,en,ip,el) ph,en)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< MandelStress Mp !< MandelStress
@ -947,9 +954,7 @@ module subroutine nonlocal_dotState(Mp,timestep, &
timestep !< substepped crystallite time increment timestep !< substepped crystallite time increment
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
en, & en
ip, & !< current integration point
el !< current element number
integer :: & integer :: &
c, & !< character of dislocation c, & !< character of dislocation
@ -1099,7 +1104,7 @@ module subroutine nonlocal_dotState(Mp,timestep, &
- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) & - rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have - rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
rhoDot = rhoDotFlux(timestep, ph,en,ip,el) & rhoDot = rhoDotFlux(timestep, ph,en) &
+ rhoDotMultiplication & + rhoDotMultiplication &
+ rhoDotSingle2DipoleGlide & + rhoDotSingle2DipoleGlide &
+ rhoDotAthermalAnnihilation & + rhoDotAthermalAnnihilation &
@ -1110,7 +1115,7 @@ module subroutine nonlocal_dotState(Mp,timestep, &
.or. any(rho(:,dip) + rhoDot(:,9:10) * timestep < -prm%atol_rho)) then .or. any(rho(:,dip) + rhoDot(:,9:10) * timestep < -prm%atol_rho)) then
#ifdef DEBUG #ifdef DEBUG
if (debugConstitutive%extensive) then if (debugConstitutive%extensive) then
print'(a,i5,a,i2)', '<< CONST >> evolution rate leads to negative density at el ',el,' ip ',ip print'(a,i5,a,i2)', '<< CONST >> evolution rate leads to negative density at ph ',ph,' en ',en
print'(a)', '<< CONST >> enforcing cutback !!!' print'(a)', '<< CONST >> enforcing cutback !!!'
end if end if
#endif #endif
@ -1129,20 +1134,17 @@ end subroutine nonlocal_dotState
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
#if __INTEL_COMPILER >= 2020 #if __INTEL_COMPILER >= 2020
non_recursive function rhoDotFlux(timestep,ph,en,ip,el) non_recursive function rhoDotFlux(timestep,ph,en)
#else #else
function rhoDotFlux(timestep,ph,en,ip,el) function rhoDotFlux(timestep,ph,en)
#endif #endif
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timestep !< substepped crystallite time increment timestep !< substepped crystallite time increment
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
en, & en
ip, & !< current integration point
el !< current element number
integer :: & integer :: &
neighbor_ph, & !< phase of my neighbor's plasticity
ns, & !< short notation for the total number of active slip systems ns, & !< short notation for the total number of active slip systems
c, & !< character of dislocation c, & !< character of dislocation
n, & !< index of my current neighbor n, & !< index of my current neighbor
@ -1215,14 +1217,14 @@ function rhoDotFlux(timestep,ph,en,ip,el)
!*** check CFL (Courant-Friedrichs-Lewy) condition for flux !*** check CFL (Courant-Friedrichs-Lewy) condition for flux
if (any( abs(dot_gamma) > 0.0_pReal & ! any active slip system ... if (any( abs(dot_gamma) > 0.0_pReal & ! any active slip system ...
.and. prm%C_CFL * abs(v0) * timestep & .and. prm%C_CFL * abs(v0) * timestep &
> IPvolume(ip,el) / maxval(IParea(:,ip,el)))) then ! ...with velocity above critical value (we use the reference volume and area for simplicity here) > geom(ph)%V_0(en)/ maxval(geom(ph)%IParea(:,en)))) then ! ...with velocity above critical value (we use the reference volume and area for simplicity here)
#ifdef DEBUG #ifdef DEBUG
if (debugConstitutive%extensive) then if (debugConstitutive%extensive) then
print'(a,i5,a,i2)', '<< CONST >> CFL condition not fullfilled at el ',el,' ip ',ip print'(a,i5,a,i2)', '<< CONST >> CFL condition not fullfilled at ph ',ph,' en ',en
print'(a,e10.3,a,e10.3)', '<< CONST >> velocity is at ', & print'(a,e10.3,a,e10.3)', '<< CONST >> velocity is at ', &
maxval(abs(v0), abs(dot_gamma) > 0.0_pReal & maxval(abs(v0), abs(dot_gamma) > 0.0_pReal &
.and. prm%C_CFL * abs(v0) * timestep & .and. prm%C_CFL * abs(v0) * timestep &
> IPvolume(ip,el) / maxval(IParea(:,ip,el))), & > geom(ph)%V_0(en) / maxval(geom(ph)%IParea(:,en))), &
' at a timestep of ',timestep ' at a timestep of ',timestep
print*, '<< CONST >> enforcing cutback !!!' print*, '<< CONST >> enforcing cutback !!!'
end if end if
@ -1245,19 +1247,18 @@ function rhoDotFlux(timestep,ph,en,ip,el)
neighbors: do n = 1,nIPneighbors neighbors: do n = 1,nIPneighbors
neighbor_el = IPneighborhood(1,n,ip,el) neighbor_el = geom(ph)%IPneighborhood(1,n,en)
neighbor_ip = IPneighborhood(2,n,ip,el) neighbor_ip = geom(ph)%IPneighborhood(2,n,en)
neighbor_n = IPneighborhood(3,n,ip,el) neighbor_n = geom(ph)%IPneighborhood(3,n,en)
np = material_phaseAt(1,neighbor_el) np = material_phaseID(1,(neighbor_el-1)*discretization_nIPs + neighbor_ip)
no = material_phasememberAt(1,neighbor_ip,neighbor_el) no = material_phaseEntry(1,(neighbor_el-1)*discretization_nIPs + neighbor_ip)
opposite_neighbor = n + mod(n,2) - mod(n+1,2) opposite_neighbor = n + mod(n,2) - mod(n+1,2)
opposite_el = IPneighborhood(1,opposite_neighbor,ip,el) opposite_el = geom(ph)%IPneighborhood(1,opposite_neighbor,en)
opposite_ip = IPneighborhood(2,opposite_neighbor,ip,el) opposite_ip = geom(ph)%IPneighborhood(2,opposite_neighbor,en)
opposite_n = IPneighborhood(3,opposite_neighbor,ip,el) opposite_n = geom(ph)%IPneighborhood(3,opposite_neighbor,en)
if (neighbor_n > 0) then ! if neighbor exists, average deformation gradient if (neighbor_n > 0) then ! if neighbor exists, average deformation gradient
neighbor_ph = material_phaseAt(1,neighbor_el)
neighbor_F = phase_mechanical_F(np)%data(1:3,1:3,no) neighbor_F = phase_mechanical_F(np)%data(1:3,1:3,no)
neighbor_Fe = matmul(neighbor_F, math_inv33(phase_mechanical_Fp(np)%data(1:3,1:3,no))) neighbor_Fe = matmul(neighbor_F, math_inv33(phase_mechanical_Fp(np)%data(1:3,1:3,no)))
Favg = 0.5_pReal * (my_F + neighbor_F) Favg = 0.5_pReal * (my_F + neighbor_F)
@ -1276,12 +1277,12 @@ function rhoDotFlux(timestep,ph,en,ip,el)
!* The entering flux from my neighbor will be distributed on my slip systems according to the !* The entering flux from my neighbor will be distributed on my slip systems according to the
!* compatibility !* compatibility
if (neighbor_n > 0) then if (neighbor_n > 0) then
if (phase_plasticity(material_phaseAt(1,neighbor_el)) == PLASTIC_NONLOCAL_ID .and. & if (phase_plasticity(np) == PLASTIC_NONLOCAL_ID .and. &
any(compatibility(:,:,:,n,ip,el) > 0.0_pReal)) then any(dependentState(ph)%compatibility(:,:,:,n,en) > 0.0_pReal)) then
forall (s = 1:ns, t = 1:4) forall (s = 1:ns, t = 1:4)
neighbor_v0(s,t) = plasticState(np)%state0(iV (s,t,neighbor_ph),no) neighbor_v0(s,t) = plasticState(np)%state0(iV (s,t,np),no)
neighbor_rhoSgl0(s,t) = max(plasticState(np)%state0(iRhoU(s,t,neighbor_ph),no),0.0_pReal) neighbor_rhoSgl0(s,t) = max(plasticState(np)%state0(iRhoU(s,t,np),no),0.0_pReal)
endforall endforall
where (neighbor_rhoSgl0 * IPvolume(neighbor_ip,neighbor_el) ** 0.667_pReal < prm%rho_min & where (neighbor_rhoSgl0 * IPvolume(neighbor_ip,neighbor_el) ** 0.667_pReal < prm%rho_min &
@ -1301,12 +1302,12 @@ function rhoDotFlux(timestep,ph,en,ip,el)
.and. v0(s,t) * neighbor_v0(s,t) >= 0.0_pReal ) then ! ... only if no sign change in flux density .and. v0(s,t) * neighbor_v0(s,t) >= 0.0_pReal ) then ! ... only if no sign change in flux density
lineLength = neighbor_rhoSgl0(s,t) * neighbor_v0(s,t) & lineLength = neighbor_rhoSgl0(s,t) * neighbor_v0(s,t) &
* math_inner(m(1:3,s,t), normal_neighbor2me) * area ! positive line length that wants to enter through this interface * math_inner(m(1:3,s,t), normal_neighbor2me) * area ! positive line length that wants to enter through this interface
where (compatibility(c,:,s,n,ip,el) > 0.0_pReal) & where (dependentState(ph)%compatibility(c,:,s,n,en) > 0.0_pReal) &
rhoDotFlux(:,t) = rhoDotFlux(1:ns,t) & rhoDotFlux(:,t) = rhoDotFlux(1:ns,t) &
+ lineLength/IPvolume(ip,el)*compatibility(c,:,s,n,ip,el)**2 ! transferring to equally signed mobile dislocation type + lineLength/geom(ph)%V_0(en)*dependentState(ph)%compatibility(c,:,s,n,en)**2 ! transferring to equally signed mobile dislocation type
where (compatibility(c,:,s,n,ip,el) < 0.0_pReal) & where (dependentState(ph)%compatibility(c,:,s,n,en) < 0.0_pReal) &
rhoDotFlux(:,topp) = rhoDotFlux(:,topp) & rhoDotFlux(:,topp) = rhoDotFlux(:,topp) &
+ lineLength/IPvolume(ip,el)*compatibility(c,:,s,n,ip,el)**2 ! transferring to opposite signed mobile dislocation type + lineLength/geom(ph)%V_0(en)*dependentState(ph)%compatibility(c,:,s,n,en)**2 ! transferring to opposite signed mobile dislocation type
end if end if
end do end do
@ -1322,28 +1323,28 @@ function rhoDotFlux(timestep,ph,en,ip,el)
!* In case of reduced transmissivity, part of the leaving flux is stored as dead dislocation density. !* In case of reduced transmissivity, part of the leaving flux is stored as dead dislocation density.
!* That means for an interface of zero transmissivity the leaving flux is fully converted to dead dislocations. !* That means for an interface of zero transmissivity the leaving flux is fully converted to dead dislocations.
if (opposite_n > 0) then if (opposite_n > 0) then
if (phase_plasticity(material_phaseAt(1,opposite_el)) == PLASTIC_NONLOCAL_ID) then if (phase_plasticity(np) == PLASTIC_NONLOCAL_ID) then
normal_me2neighbor_defConf = math_det33(Favg) & normal_me2neighbor_defConf = math_det33(Favg) &
* matmul(math_inv33(transpose(Favg)),IPareaNormal(1:3,n,ip,el)) ! normal of the interface in (average) deformed configuration (pointing en => neighbor) * matmul(math_inv33(transpose(Favg)),geom(ph)%IPareaNormal(1:3,n,en)) ! normal of the interface in (average) deformed configuration (pointing en => neighbor)
normal_me2neighbor = matmul(transpose(my_Fe), normal_me2neighbor_defConf) & normal_me2neighbor = matmul(transpose(my_Fe), normal_me2neighbor_defConf) &
/ math_det33(my_Fe) ! interface normal in my lattice configuration / math_det33(my_Fe) ! interface normal in my lattice configuration
area = IParea(n,ip,el) * norm2(normal_me2neighbor) area = geom(ph)%IParea(n,en) * norm2(normal_me2neighbor)
normal_me2neighbor = normal_me2neighbor / norm2(normal_me2neighbor) ! normalize the surface normal to unit length normal_me2neighbor = normal_me2neighbor / norm2(normal_me2neighbor) ! normalize the surface normal to unit length
do s = 1,ns do s = 1,ns
do t = 1,4 do t = 1,4
c = (t + 1) / 2 c = (t + 1) / 2
if (v0(s,t) * math_inner(m(1:3,s,t), normal_me2neighbor) > 0.0_pReal ) then ! flux from en to my neighbor == leaving flux for en (might also be a pure flux from my mobile density to dead density if interface not at all transmissive) if (v0(s,t) * math_inner(m(1:3,s,t), normal_me2neighbor) > 0.0_pReal ) then ! flux from en to my neighbor == leaving flux for en (might also be a pure flux from my mobile density to dead density if interface not at all transmissive)
if (v0(s,t) * neighbor_v0(s,t) >= 0.0_pReal) then ! no sign change in flux density if (v0(s,t) * neighbor_v0(s,t) >= 0.0_pReal) then ! no sign change in flux density
transmissivity = sum(compatibility(c,:,s,n,ip,el)**2) ! overall transmissivity from this slip system to my neighbor transmissivity = sum(dependentState(ph)%compatibility(c,:,s,n,en)**2) ! overall transmissivity from this slip system to my neighbor
else ! sign change in flux density means sign change in stress which does not allow for dislocations to arive at the neighbor else ! sign change in flux density means sign change in stress which does not allow for dislocations to arive at the neighbor
transmissivity = 0.0_pReal transmissivity = 0.0_pReal
end if end if
lineLength = my_rhoSgl0(s,t) * v0(s,t) & lineLength = my_rhoSgl0(s,t) * v0(s,t) &
* math_inner(m(1:3,s,t), normal_me2neighbor) * area ! positive line length of mobiles that wants to leave through this interface * math_inner(m(1:3,s,t), normal_me2neighbor) * area ! positive line length of mobiles that wants to leave through this interface
rhoDotFlux(s,t) = rhoDotFlux(s,t) - lineLength / IPvolume(ip,el) ! subtract dislocation flux from current type rhoDotFlux(s,t) = rhoDotFlux(s,t) - lineLength / geom(ph)%V_0(en) ! subtract dislocation flux from current type
rhoDotFlux(s,t+4) = rhoDotFlux(s,t+4) & rhoDotFlux(s,t+4) = rhoDotFlux(s,t+4) &
+ lineLength / IPvolume(ip,el) * (1.0_pReal - transmissivity) & + lineLength / geom(ph)%V_0(en) * (1.0_pReal - transmissivity) &
* sign(1.0_pReal, v0(s,t)) ! dislocation flux that is not able to leave through interface (because of low transmissivity) will remain as immobile single density at the material point * sign(1.0_pReal, v0(s,t)) ! dislocation flux that is not able to leave through interface (because of low transmissivity) will remain as immobile single density at the material point
end if end if
end do end do
@ -1364,14 +1365,14 @@ end function rhoDotFlux
! plane normals and signed cosine of the angle between the slip directions. Only the largest values ! plane normals and signed cosine of the angle between the slip directions. Only the largest values
! that sum up to a total of 1 are considered, all others are set to zero. ! that sum up to a total of 1 are considered, all others are set to zero.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e) module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,ip,el)
type(tRotationContainer), dimension(:), intent(in) :: & type(tRotationContainer), dimension(:), intent(in) :: &
orientation ! crystal orientation orientation ! crystal orientation
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
i, & ip, &
e el
integer :: & integer :: &
n, & ! neighbor index n, & ! neighbor index
@ -1397,16 +1398,16 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
associate(prm => param(ph)) associate(prm => param(ph))
ns = prm%sum_N_sl ns = prm%sum_N_sl
en = material_phaseMemberAt(1,i,e) en = material_phaseEntry(1,(el-1)*discretization_nIPs + ip)
!*** start out fully compatible !*** start out fully compatible
my_compatibility = 0.0_pReal my_compatibility = 0.0_pReal
forall(s1 = 1:ns) my_compatibility(:,s1,s1,:) = 1.0_pReal forall(s1 = 1:ns) my_compatibility(:,s1,s1,:) = 1.0_pReal
neighbors: do n = 1,nIPneighbors neighbors: do n = 1,nIPneighbors
neighbor_e = IPneighborhood(1,n,i,e) neighbor_e = IPneighborhood(1,n,ip,el)
neighbor_i = IPneighborhood(2,n,i,e) neighbor_i = IPneighborhood(2,n,ip,el)
neighbor_me = material_phaseMemberAt(1,neighbor_i,neighbor_e) neighbor_me = material_phaseEntry(1,(neighbor_e-1)*discretization_nIPs + neighbor_i)
neighbor_phase = material_phaseAt(1,neighbor_e) neighbor_phase = material_phaseID(1,(neighbor_e-1)*discretization_nIPs + neighbor_i)
if (neighbor_e <= 0 .or. neighbor_i <= 0) then if (neighbor_e <= 0 .or. neighbor_i <= 0) then
!* FREE SURFACE !* FREE SURFACE
@ -1465,7 +1466,7 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
end do neighbors end do neighbors
compatibility(:,:,:,:,i,e) = my_compatibility dependentState(ph)%compatibility(:,:,:,:,material_phaseEntry(1,(el-1)*discretization_nIPs + ip)) = my_compatibility
end associate end associate
@ -1756,14 +1757,29 @@ subroutine storeGeometry(ph)
integer, intent(in) :: ph integer, intent(in) :: ph
integer :: ce, co integer :: ce, co, nCell
real(pReal), dimension(:), allocatable :: V real(pReal), dimension(:), allocatable :: V
integer, dimension(:,:,:), allocatable :: neighborhood
real(pReal), dimension(:,:), allocatable :: area, coords
real(pReal), dimension(:,:,:), allocatable :: areaNormal
nCell = product(shape(IPvolume))
V = reshape(IPvolume,[nCell])
neighborhood = reshape(IPneighborhood,[3,nIPneighbors,nCell])
area = reshape(IParea,[nIPneighbors,nCell])
areaNormal = reshape(IPareaNormal,[3,nIPneighbors,nCell])
coords = reshape(discretization_IPcoords,[3,nCell])
V = reshape(IPvolume,[product(shape(IPvolume))])
do ce = 1, size(material_homogenizationEntry,1) do ce = 1, size(material_homogenizationEntry,1)
do co = 1, homogenization_maxNconstituents do co = 1, homogenization_maxNconstituents
if (material_phaseID(co,ce) == ph) geom(ph)%V_0(material_phaseEntry(co,ce)) = V(ce) if (material_phaseID(co,ce) == ph) then
geom(ph)%V_0(material_phaseEntry(co,ce)) = V(ce)
geom(ph)%IPneighborhood(:,:,material_phaseEntry(co,ce)) = neighborhood(:,:,ce)
geom(ph)%IParea(:,material_phaseEntry(co,ce)) = area(:,ce)
geom(ph)%IPareaNormal(:,:,material_phaseEntry(co,ce)) = areaNormal(:,:,ce)
geom(ph)%IPcoordinates(:,material_phaseEntry(co,ce)) = coords(:,ce)
end if
end do end do
end do end do