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Merge branch 'development' into 20-NewStyleDislotwin

This commit is contained in:
Martin Diehl 2018-11-20 19:41:30 +01:00
parent ecde7e5953 9b6ac2fd1d
commit d0be1d61db
5 changed files with 216 additions and 181 deletions
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2
CMakeLists.txt
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@ -280,7 +280,7 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
# ... for uninitialized variables. # ... for uninitialized variables.
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv") set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
# ... initializes stack local variables to an unusual value to aid error detection # ... initializes stack local variables to an unusual value to aid error detection
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all0") set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
# ... capture all floating-point exceptions, sets -ftz automatically # ... capture all floating-point exceptions, sets -ftz automatically
set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn") set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")

2
VERSION
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@ -1 +1 @@
v2.0.2-889-g47650e94 v2.0.2-933-ge9bf0824

2
lib/damask/orientation.py
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@ -929,7 +929,7 @@ class Orientation:
# disorientation, own sym, other sym, self-->other: True, self<--other: False # disorientation, own sym, other sym, self-->other: True, self<--other: False
return (Orientation(quaternion = theQ,symmetry = self.symmetry.lattice), return (Orientation(quaternion = theQ,symmetry = self.symmetry.lattice),
i,j,k == 1) i,j, k == 1)
def inversePole(self, def inversePole(self,

50
src/material.f90
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@ -283,6 +283,7 @@ module material
public :: & public :: &
material_init, & material_init, &
material_allocatePlasticState, &
ELASTICITY_hooke_ID ,& ELASTICITY_hooke_ID ,&
PLASTICITY_none_ID, & PLASTICITY_none_ID, &
PLASTICITY_isotropic_ID, & PLASTICITY_isotropic_ID, &
@ -1069,6 +1070,55 @@ subroutine material_parseTexture
end subroutine material_parseTexture end subroutine material_parseTexture
!--------------------------------------------------------------------------------------------------
!> @brief allocates the plastic state of a phase
!--------------------------------------------------------------------------------------------------
subroutine material_allocatePlasticState(phase,NofMyPhase,sizeState,sizeDotState,sizeDeltaState,&
Nslip,Ntwin,Ntrans)
use numerics, only: &
numerics_integrator2 => numerics_integrator ! compatibility hack
implicit none
integer(pInt), intent(in) :: &
phase, &
NofMyPhase, &
sizeState, &
sizeDotState, &
sizeDeltaState, &
Nslip, &
Ntwin, &
Ntrans
integer(pInt) :: numerics_integrator ! compatibility hack
numerics_integrator = numerics_integrator2(1) ! compatibility hack
plasticState(phase)%sizeState = sizeState
plasticState(phase)%sizeDotState = sizeDotState
plasticState(phase)%sizeDeltaState = sizeDeltaState
plasticState(phase)%Nslip = Nslip
plasticState(phase)%Ntwin = Ntwin
plasticState(phase)%Ntrans= Ntrans
allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal)
allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
if (numerics_integrator == 1_pInt) then
allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal)
endif
if (numerics_integrator == 4_pInt) &
allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
if (numerics_integrator == 5_pInt) &
allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal)
end subroutine material_allocatePlasticState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief populates the grains !> @brief populates the grains
!> @details populates the grains by identifying active microstructure/homogenization pairs, !> @details populates the grains by identifying active microstructure/homogenization pairs,

385
src/plastic_phenopowerlaw.f90
View File

@ -32,10 +32,7 @@ module plastic_phenopowerlaw
totalvolfrac_twin_ID totalvolfrac_twin_ID
end enum end enum
type, private :: tParameters !< container type for internal constitutive parameters type, private :: tParameters
integer(pInt) :: &
totalNslip, &
totalNtwin
real(pReal) :: & real(pReal) :: &
gdot0_slip, & !< reference shear strain rate for slip gdot0_slip, & !< reference shear strain rate for slip
gdot0_twin, & !< reference shear strain rate for twin gdot0_twin, & !< reference shear strain rate for twin
@ -50,45 +47,48 @@ module plastic_phenopowerlaw
h0_TwinSlip, & !< reference hardening twin - slip h0_TwinSlip, & !< reference hardening twin - slip
h0_TwinTwin, & !< reference hardening twin - twin h0_TwinTwin, & !< reference hardening twin - twin
a_slip, & a_slip, &
aTolResistance, & ! default absolute tolerance 1 Pa aTolResistance, & !< absolute tolerance for integration of xi
aTolShear, & ! default absolute tolerance 1e-6 aTolShear, & !< absolute tolerance for integration of gamma
aTolTwinfrac ! default absolute tolerance 1e-6 aTolTwinfrac !< absolute tolerance for integration of f
integer(pInt), dimension(:), allocatable :: & real(pReal), allocatable, dimension(:) :: &
Nslip, & !< active number of slip systems per family
Ntwin !< active number of twin systems per family
real(pReal), dimension(:), allocatable :: &
xi_slip_0, & !< initial critical shear stress for slip xi_slip_0, & !< initial critical shear stress for slip
xi_twin_0, & !< initial critical shear stress for twin xi_twin_0, & !< initial critical shear stress for twin
xi_slip_sat, & !< maximum critical shear stress for slip xi_slip_sat, & !< maximum critical shear stress for slip
nonSchmidCoeff, & nonSchmidCoeff, &
H_int, & !< per family hardening activity (optional) !ToDo: Better name! H_int, & !< per family hardening activity (optional) !ToDo: Better name!
gamma_twin_char !< characteristic shear for twins gamma_twin_char !< characteristic shear for twins
real(pReal), dimension(:,:), allocatable :: & real(pReal), allocatable, dimension(:,:) :: &
interaction_SlipSlip, & !< slip resistance from slip activity interaction_SlipSlip, & !< slip resistance from slip activity
interaction_SlipTwin, & !< slip resistance from twin activity interaction_SlipTwin, & !< slip resistance from twin activity
interaction_TwinSlip, & !< twin resistance from slip activity interaction_TwinSlip, & !< twin resistance from slip activity
interaction_TwinTwin !< twin resistance from twin activity interaction_TwinTwin !< twin resistance from twin activity
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), allocatable, dimension(:,:,:) :: &
Schmid_slip, & Schmid_slip, &
Schmid_twin, & Schmid_twin, &
nonSchmid_pos, & nonSchmid_pos, &
nonSchmid_neg nonSchmid_neg
integer(kind(undefined_ID)), dimension(:), allocatable :: & integer(pInt) :: &
totalNslip, & !< total number of active slip system
totalNtwin !< total number of active twin systems
integer(pInt), allocatable, dimension(:) :: &
Nslip, & !< number of active slip systems for each family
Ntwin !< number of active twin systems for each family
integer(kind(undefined_ID)), allocatable, dimension(:) :: &
outputID !< ID of each post result output outputID !< ID of each post result output
end type end type !< container type for internal constitutive parameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
type, private :: tPhenopowerlawState type, private :: tPhenopowerlawState
real(pReal), pointer, dimension(:) :: &
sumGamma, & ! ToDo: why not make a dependent state?
sumF ! ToDo: why not make a dependent state?
real(pReal), pointer, dimension(:,:) :: & real(pReal), pointer, dimension(:,:) :: &
xi_slip, & xi_slip, &
xi_twin, & xi_twin, &
gamma_slip, & gamma_slip, &
gamma_twin, & gamma_twin, &
whole whole
real(pReal), pointer, dimension(:) :: &
sumGamma, &
sumF
end type end type
type(tPhenopowerlawState), allocatable, dimension(:), private :: & type(tPhenopowerlawState), allocatable, dimension(:), private :: &
@ -115,6 +115,7 @@ subroutine plastic_phenopowerlaw_init
compiler_options compiler_options
#endif #endif
use prec, only: & use prec, only: &
pStringLen, &
dEq0 dEq0
use debug, only: & use debug, only: &
debug_level, & debug_level, &
@ -130,6 +131,7 @@ subroutine plastic_phenopowerlaw_init
phase_plasticity, & phase_plasticity, &
phase_plasticityInstance, & phase_plasticityInstance, &
phase_Noutput, & phase_Noutput, &
material_allocatePlasticState, &
PLASTICITY_PHENOPOWERLAW_LABEL, & PLASTICITY_PHENOPOWERLAW_LABEL, &
PLASTICITY_PHENOPOWERLAW_ID, & PLASTICITY_PHENOPOWERLAW_ID, &
material_phase, & material_phase, &
@ -138,16 +140,13 @@ subroutine plastic_phenopowerlaw_init
MATERIAL_partPhase, & MATERIAL_partPhase, &
config_phase config_phase
use lattice use lattice
use numerics,only: &
numerics_integrator
implicit none implicit none
integer(pInt) :: & integer(pInt) :: &
maxNinstance, & Ninstance, &
instance,p,j,k, o, i,& p, i, &
NipcMyPhase, outputSize, & NipcMyPhase, outputSize, &
sizeState,sizeDotState, & sizeState, sizeDotState, &
startIndex, endIndex startIndex, endIndex
integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::]
@ -163,136 +162,38 @@ subroutine plastic_phenopowerlaw_init
integer(kind(undefined_ID)) :: & integer(kind(undefined_ID)) :: &
outputID !< ID of each post result output outputID !< ID of each post result output
character(len=512) :: & character(len=pStringLen) :: &
extmsg = '', & structure = '',&
structure = '' extmsg = ''
character(len=65536), dimension(:), allocatable :: outputs character(len=65536), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_PHENOPOWERLAW_label//' init -+>>>' write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_PHENOPOWERLAW_label//' init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
maxNinstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt) Ninstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt)
allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),maxNinstance)) allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),Ninstance))
plastic_phenopowerlaw_output = '' plastic_phenopowerlaw_output = ''
allocate(param(maxNinstance)) ! one container of parameters per instance allocate(param(Ninstance))
allocate(state(maxNinstance)) allocate(state(Ninstance))
allocate(dotState(maxNinstance)) allocate(dotState(Ninstance))
do p = 1_pInt, size(phase_plasticityInstance) do p = 1_pInt, size(phase_plasticityInstance)
if (phase_plasticity(p) /= PLASTICITY_PHENOPOWERLAW_ID) cycle if (phase_plasticity(p) /= PLASTICITY_PHENOPOWERLAW_ID) cycle
instance = phase_plasticityInstance(p) associate(prm => param(phase_plasticityInstance(p)), &
associate(prm => param(instance),stt => state(instance),dot => dotState(instance)) dot => dotState(phase_plasticityInstance(p)), &
extmsg = '' stt => state(phase_plasticityInstance(p)))
structure = config_phase(p)%getString('lattice_structure') structure = config_phase(p)%getString('lattice_structure')
prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray) !--------------------------------------------------------------------------------------------------
prm%totalNslip = sum(prm%Nslip) ! optional parameters that need to be defined
if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) &
call IO_error(150_pInt,ext_msg='Nslip')
if (any(lattice_NslipSystem(1:size(prm%Nslip),p)-prm%Nslip < 0_pInt)) &
call IO_error(150_pInt,ext_msg='Nslip')
slipActive: if (prm%totalNslip > 0_pInt) then
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
! reading in slip related parameters
prm%xi_slip_0 = config_phase(p)%getFloats('tau0_slip', requiredShape=shape(prm%Nslip))
prm%xi_slip_sat = config_phase(p)%getFloats('tausat_slip', requiredShape=shape(prm%Nslip))
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip,config_phase(p)%getFloats('interaction_slipslip'), &
structure(1:3))
prm%H_int = config_phase(p)%getFloats('h_int', requiredShape=shape(prm%Nslip), &
defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray )
if(structure=='bcc') then
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
else
prm%nonSchmid_pos = prm%Schmid_slip
prm%nonSchmid_neg = prm%Schmid_slip
endif
prm%gdot0_slip = config_phase(p)%getFloat('gdot0_slip')
prm%n_slip = config_phase(p)%getFloat('n_slip')
prm%a_slip = config_phase(p)%getFloat('a_slip')
prm%h0_SlipSlip = config_phase(p)%getFloat('h0_slipslip')
! sanity checks for slip related parameters
if (any(prm%xi_slip_0 < 0.0_pReal .and. prm%Nslip > 0_pInt)) &
extmsg = trim(extmsg)//"xi_slip_0 "
if (any(prm%xi_slip_sat < prm%xi_slip_0 .and. prm%Nslip > 0_pInt)) &
extmsg = trim(extmsg)//"xi_slip_sat "
if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_slip "
if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//"a_slip " ! ToDo: negative values ok?
if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//"n_slip " ! ToDo: negative values ok?
! expand slip related parameters from system => family
prm%xi_slip_0 = math_expand(prm%xi_slip_0,prm%Nslip)
prm%xi_slip_sat = math_expand(prm%xi_slip_sat,prm%Nslip)
prm%H_int = math_expand(prm%H_int,prm%Nslip)
else slipActive
allocate(prm%interaction_SlipSlip(0,0))
allocate(prm%xi_slip_0(0))
endif slipActive
prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray)
prm%totalNtwin = sum(prm%Ntwin)
if (size(prm%Ntwin) > count(lattice_NtwinSystem(:,p) > 0_pInt)) &
call IO_error(150_pInt,ext_msg='Ntwin')
if (any(lattice_NtwinSystem(1:size(prm%Ntwin),p)-prm%Ntwin < 0_pInt)) &
call IO_error(150_pInt,ext_msg='Ntwin')
twinActive: if (prm%totalNtwin > 0_pInt) then
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
! reading in twin related parameters
prm%xi_twin_0 = config_phase(p)%getFloats('tau0_twin',requiredShape=shape(prm%Ntwin))
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,config_phase(p)%getFloats('interaction_twintwin'), &
structure(1:3))
prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin')
prm%n_twin = config_phase(p)%getFloat('n_twin')
prm%spr = config_phase(p)%getFloat('s_pr')
prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin')
! sanity checks for twin related parameters
if (any(prm%xi_twin_0 < 0.0_pReal .and. prm%Ntwin > 0_pInt)) &
extmsg = trim(extmsg)//"xi_twin_0 "
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_twin "
if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//"n_twin " ! ToDo: negative values ok?
! expand slip related parameters from system => family
prm%xi_twin_0 = math_expand(prm%xi_twin_0,prm%Ntwin)
else twinActive
allocate(prm%interaction_TwinTwin(0,0))
allocate(prm%xi_twin_0(0))
endif twinActive
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
config_phase(p)%getFloats('interaction_sliptwin'), &
structure(1:3))
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
config_phase(p)%getFloats('interaction_twinslip'), &
structure(1:3))
else slipAndTwinActive
allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension 0
allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension 0
prm%h0_TwinSlip = 0.0_pReal
endif slipAndTwinActive
! optional parameters that should be defined
prm%twinB = config_phase(p)%getFloat('twin_b',defaultVal=1.0_pReal) prm%twinB = config_phase(p)%getFloat('twin_b',defaultVal=1.0_pReal)
prm%twinC = config_phase(p)%getFloat('twin_c',defaultVal=0.0_pReal) prm%twinC = config_phase(p)%getFloat('twin_c',defaultVal=0.0_pReal)
prm%twinD = config_phase(p)%getFloat('twin_d',defaultVal=0.0_pReal) prm%twinD = config_phase(p)%getFloat('twin_d',defaultVal=0.0_pReal)
@ -302,13 +203,110 @@ subroutine plastic_phenopowerlaw_init
prm%aTolShear = config_phase(p)%getFloat('atol_shear', defaultVal=1.0e-6_pReal) prm%aTolShear = config_phase(p)%getFloat('atol_shear', defaultVal=1.0e-6_pReal)
prm%aTolTwinfrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal) prm%aTolTwinfrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal)
if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//"aTolresistance " ! sanity checks
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//"aTolShear " if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//'aTolresistance '
if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//"atoltwinfrac " if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//'aTolShear '
if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//'atoltwinfrac '
if (extmsg /= '') call IO_error(211_pInt,ip=instance,& !--------------------------------------------------------------------------------------------------
ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')') ! slip related parameters
prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip)
slipActive: if (prm%totalNslip > 0_pInt) then
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
if(structure=='bcc') then
prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
else
prm%nonSchmid_pos = prm%Schmid_slip
prm%nonSchmid_neg = prm%Schmid_slip
endif
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
config_phase(p)%getFloats('interaction_slipslip'), &
structure(1:3))
prm%xi_slip_0 = config_phase(p)%getFloats('tau0_slip', requiredShape=shape(prm%Nslip))
prm%xi_slip_sat = config_phase(p)%getFloats('tausat_slip', requiredShape=shape(prm%Nslip))
prm%H_int = config_phase(p)%getFloats('h_int', requiredShape=shape(prm%Nslip), &
defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%gdot0_slip = config_phase(p)%getFloat('gdot0_slip')
prm%n_slip = config_phase(p)%getFloat('n_slip')
prm%a_slip = config_phase(p)%getFloat('a_slip')
prm%h0_SlipSlip = config_phase(p)%getFloat('h0_slipslip')
! expand: family => system
prm%xi_slip_0 = math_expand(prm%xi_slip_0, prm%Nslip)
prm%xi_slip_sat = math_expand(prm%xi_slip_sat,prm%Nslip)
prm%H_int = math_expand(prm%H_int, prm%Nslip)
! sanity checks
if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_slip '
if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//'a_slip ' ! ToDo: negative values ok?
if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//'n_slip ' ! ToDo: negative values ok?
if (any(prm%xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//'xi_slip_0 '
if (any(prm%xi_slip_sat < prm%xi_slip_0)) extmsg = trim(extmsg)//'xi_slip_sat '
else slipActive
allocate(prm%interaction_SlipSlip(0,0))
allocate(prm%xi_slip_0(0))
endif slipActive
!--------------------------------------------------------------------------------------------------
! twin related parameters
prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray)
prm%totalNtwin = sum(prm%Ntwin)
twinActive: if (prm%totalNtwin > 0_pInt) then
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,&
config_phase(p)%getFloats('interaction_twintwin'), &
structure(1:3))
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),&
config_phase(p)%getFloat('c/a'))
prm%xi_twin_0 = config_phase(p)%getFloats('tau0_twin',requiredShape=shape(prm%Ntwin))
prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin')
prm%n_twin = config_phase(p)%getFloat('n_twin')
prm%spr = config_phase(p)%getFloat('s_pr')
prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin')
! expand: family => system
prm%xi_twin_0 = math_expand(prm%xi_twin_0, prm%Ntwin)
! sanity checks
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_twin '
if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//'n_twin ' ! ToDo: negative values ok?
else twinActive
allocate(prm%interaction_TwinTwin(0,0))
allocate(prm%xi_twin_0(0))
endif twinActive
!--------------------------------------------------------------------------------------------------
! slip-twin related parameters
slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
config_phase(p)%getFloats('interaction_sliptwin'), &
structure(1:3))
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
config_phase(p)%getFloats('interaction_twinslip'), &
structure(1:3))
else slipAndTwinActive
allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension is 0
allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension is 0
prm%h0_TwinSlip = 0.0_pReal
endif slipAndTwinActive
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') &
call IO_error(211_pInt,ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')')
!--------------------------------------------------------------------------------------------------
! output pararameters
outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray) outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0)) allocate(prm%outputID(0))
do i=1_pInt, size(outputs) do i=1_pInt, size(outputs)
@ -349,8 +347,8 @@ subroutine plastic_phenopowerlaw_init
end select end select
if (outputID /= undefined_ID) then if (outputID /= undefined_ID) then
plastic_phenopowerlaw_output(i,instance) = outputs(i) plastic_phenopowerlaw_output(i,phase_plasticityInstance(p)) = outputs(i)
plastic_phenopowerlaw_sizePostResult(i,instance) = outputSize plastic_phenopowerlaw_sizePostResult(i,phase_plasticityInstance(p)) = outputSize
prm%outputID = [prm%outputID , outputID] prm%outputID = [prm%outputID , outputID]
endif endif
@ -361,32 +359,12 @@ subroutine plastic_phenopowerlaw_init
NipcMyPhase = count(material_phase == p) ! number of IPCs containing my phase NipcMyPhase = count(material_phase == p) ! number of IPCs containing my phase
sizeState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip & sizeState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip &
+ size(['tau_twin ','gamma_twin']) * prm%TotalNtwin & + size(['tau_twin ','gamma_twin']) * prm%TotalNtwin &
+ size(['sum(gamma)','sum(f) ']) + size(['sum(gamma)','sum(f) ']) ! ToDo: only needed if either twin or slip active!
!--------------------------------------------------------------------------------------------------
! ToDo: This could be done by a function (in constitutive?)
sizeDotState = sizeState sizeDotState = sizeState
plasticState(p)%sizeState = sizeState
plasticState(p)%sizeDotState = sizeDotState
plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,instance))
plasticState(p)%nSlip = prm%totalNslip
plasticState(p)%nTwin = prm%totalNtwin
allocate(plasticState(p)%aTolState ( sizeState), source=0.0_pReal)
allocate(plasticState(p)%state0 ( sizeState,NipcMyPhase), source=0.0_pReal)
allocate(plasticState(p)%partionedState0 ( sizeState,NipcMyPhase), source=0.0_pReal)
allocate(plasticState(p)%subState0 ( sizeState,NipcMyPhase), source=0.0_pReal)
allocate(plasticState(p)%state ( sizeState,NipcMyPhase), source=0.0_pReal)
allocate(plasticState(p)%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, &
allocate(plasticState(p)%deltaState (0_pInt,NipcMyPhase), source=0.0_pReal) prm%totalNslip,prm%totalNtwin,0_pInt)
if (any(numerics_integrator == 1_pInt)) then plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,phase_plasticityInstance(p)))
allocate(plasticState(p)%previousDotState (sizeDotState,NipcMyPhase),source=0.0_pReal)
allocate(plasticState(p)%previousDotState2(sizeDotState,NipcMyPhase),source=0.0_pReal)
endif
if (any(numerics_integrator == 4_pInt)) &
allocate(plasticState(p)%RK4dotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
if (any(numerics_integrator == 5_pInt)) &
allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NipcMyPhase), source=0.0_pReal)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -432,7 +410,7 @@ subroutine plastic_phenopowerlaw_init
dot%gamma_twin => plasticState(p)%dotState(startIndex:endIndex,:) dot%gamma_twin => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolShear plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolShear
plasticState(p)%state0 = plasticState(p)%state plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
dot%whole => plasticState(p)%dotState dot%whole => plasticState(p)%dotState
end associate end associate
@ -544,25 +522,21 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
dot%gamma_slip(:,of) = abs(gdot_slip_pos+gdot_slip_neg) dot%gamma_slip(:,of) = abs(gdot_slip_pos+gdot_slip_neg)
dot%sumGamma(of) = sum(dot%gamma_slip(:,of)) dot%sumGamma(of) = sum(dot%gamma_slip(:,of))
call kinetics_twin(prm,stt,of,Mp,dot%gamma_twin(:,of)) call kinetics_twin(prm,stt,of,Mp,dot%gamma_twin(:,of))
if (stt%sumF(of) < 0.98_pReal) dot%sumF(of) = sum(dot%gamma_twin(:,of)/prm%gamma_twin_char) if (prm%totalNtwin > 0_pInt) dot%sumF(of) = merge(sum(dot%gamma_twin(:,of)/prm%gamma_twin_char), &
0.0_pReal, &
stt%sumF(of) < 0.98_pReal)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hardening ! hardening
hardeningSlip: do i = 1_pInt, prm%totalNslip hardeningSlip: do i = 1_pInt, prm%totalNslip
dot%xi_slip(i,of) = & dot%xi_slip(i,of) = dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) &
c_SlipSlip * left_SlipSlip(i) & * c_SlipSlip * left_SlipSlip(i) &
* dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) & + dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of))
+ &
dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of))
enddo hardeningSlip enddo hardeningSlip
hardeningTwin: do i = 1_pInt, prm%totalNtwin hardeningTwin: do i = 1_pInt, prm%totalNtwin
dot%xi_twin(i,of) = & dot%xi_twin(i,of) = c_TwinSlip * dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) &
c_TwinSlip & + c_TwinTwin * dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of))
* dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) &
+ &
c_TwinTwin &
* dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of))
enddo hardeningTwin enddo hardeningTwin
end associate end associate
@ -572,7 +546,7 @@ end subroutine plastic_phenopowerlaw_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates shear rates on slip systems and derivatives with respect to resolved stress !> @brief calculates shear rates on slip systems and derivatives with respect to resolved stress
!> @details: Shear rates are calculated only optionally. NOTE: Agains the common convention, the !> @details: Shear rates are calculated only optionally. NOTE: Against the common convention, the
!> result (i.e. intent(out)) variables are the last to have the optional arguments at the end !> result (i.e. intent(out)) variables are the last to have the optional arguments at the end
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg, & pure subroutine kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg, &
@ -602,26 +576,39 @@ pure subroutine kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg, &
tau_slip_pos, & tau_slip_pos, &
tau_slip_neg tau_slip_neg
integer(pInt) :: i integer(pInt) :: i
logical :: nonSchmidActive
nonSchmidActive = size(prm%nonSchmidCoeff) > 0_pInt
do i = 1_pInt, prm%totalNslip do i = 1_pInt, prm%totalNslip
tau_slip_pos(i) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) tau_slip_pos(i) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i))
tau_slip_neg(i) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)) tau_slip_neg(i) = merge(math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)), &
0.0_pReal, nonSchmidActive)
enddo enddo
gdot_slip_pos = 0.5_pReal*prm%gdot0_slip & where(dNeq0(tau_slip_pos))
gdot_slip_pos = prm%gdot0_slip * merge(0.5_pReal,1.0_pReal, nonSchmidActive) & ! 1/2 if non-Schmid active
* sign(abs(tau_slip_pos/stt%xi_slip(:,of))**prm%n_slip, tau_slip_pos) * sign(abs(tau_slip_pos/stt%xi_slip(:,of))**prm%n_slip, tau_slip_pos)
else where
gdot_slip_pos = 0.0_pReal
end where
where(dNeq0(tau_slip_neg))
gdot_slip_neg = 0.5_pReal*prm%gdot0_slip & gdot_slip_neg = 0.5_pReal*prm%gdot0_slip &
* sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_slip, tau_slip_neg) * sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_slip, tau_slip_neg)
else where
gdot_slip_neg = 0.0_pReal
end where
if (present(dgdot_dtau_slip_pos)) then if (present(dgdot_dtau_slip_pos)) then
where(dNeq0(tau_slip_pos)) where(dNeq0(gdot_slip_pos))
dgdot_dtau_slip_pos = gdot_slip_pos*prm%n_slip/tau_slip_pos dgdot_dtau_slip_pos = gdot_slip_pos*prm%n_slip/tau_slip_pos
else where else where
dgdot_dtau_slip_pos = 0.0_pReal dgdot_dtau_slip_pos = 0.0_pReal
end where end where
endif endif
if (present(dgdot_dtau_slip_neg)) then if (present(dgdot_dtau_slip_neg)) then
where(dNeq0(tau_slip_neg)) where(dNeq0(gdot_slip_neg))
dgdot_dtau_slip_neg = gdot_slip_neg*prm%n_slip/tau_slip_neg dgdot_dtau_slip_neg = gdot_slip_neg*prm%n_slip/tau_slip_neg
else where else where
dgdot_dtau_slip_neg = 0.0_pReal dgdot_dtau_slip_neg = 0.0_pReal
@ -633,7 +620,7 @@ end subroutine kinetics_slip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates shear rates on twin systems and derivatives with respect to resolved stress !> @brief calculates shear rates on twin systems and derivatives with respect to resolved stress
!> @details: Shear rates are calculated only optionally. NOTE: Agains the common convention, the !> @details: Shear rates are calculated only optionally. NOTE: Against the common convention, the
!> result (i.e. intent(out)) variables are the last to have the optional arguments at the end !> result (i.e. intent(out)) variables are the last to have the optional arguments at the end
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtau_twin) pure subroutine kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtau_twin)
@ -663,11 +650,15 @@ pure subroutine kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtau_twin)
do i = 1_pInt, prm%totalNtwin do i = 1_pInt, prm%totalNtwin
tau_twin(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) tau_twin(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i))
enddo enddo
gdot_twin = merge((1.0_pReal-stt%sumF(of))*prm%gdot0_twin*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_twin, &
0.0_pReal, tau_twin>0.0_pReal) where(tau_twin > 0.0_pReal)
gdot_twin = (1.0_pReal-stt%sumF(of))*prm%gdot0_twin*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_twin
else where
gdot_twin = 0.0_pReal
end where
if (present(dgdot_dtau_twin)) then if (present(dgdot_dtau_twin)) then
where(dNeq0(tau_twin)) where(dNeq0(gdot_twin))
dgdot_dtau_twin = gdot_twin*prm%n_twin/tau_twin dgdot_dtau_twin = gdot_twin*prm%n_twin/tau_twin
else where else where
dgdot_dtau_twin = 0.0_pReal dgdot_dtau_twin = 0.0_pReal
@ -681,14 +672,8 @@ end subroutine kinetics_twin
!> @brief return array of constitutive results !> @brief return array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults) function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
use material, only: &
material_phase, &
plasticState, &
phasememberAt, &
phase_plasticityInstance
use math, only: & use math, only: &
math_mul33xx33, & math_mul33xx33
math_Mandel6to33
implicit none implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
@ -701,7 +686,7 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
postResults postResults
integer(pInt) :: & integer(pInt) :: &
o,c,i,j o,c,i
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos,gdot_slip_neg gdot_slip_pos,gdot_slip_neg