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all parameters should be stored in the constitutive laws 

no need to know the 'phase number' anymore
This commit is contained in:
Martin Diehl 2018-09-05 15:45:44 +02:00
parent 038508aa11
commit 97977f4940
1 changed files with 321 additions and 356 deletions
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295
src/plastic_dislotwin.f90
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@ -6,7 +6,7 @@
module plastic_dislotwin module plastic_dislotwin
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pIntS
implicit none implicit none
private private
@ -18,14 +18,6 @@ module plastic_dislotwin
real(pReal), parameter, private :: & real(pReal), parameter, private :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
! START: Do something here
real(pReal), dimension(:,:), allocatable, private :: &
tau_r_twin, & !< stress to bring partial close together for each twin system and instance
tau_r_trans !< stress to bring partial close together for each trans system and instance
real(pReal), dimension(:,:,:), allocatable, private :: &
forestProjectionEdge !< matrix of forest projections of edge dislocations for each instance
! END: Do something here
enum, bind(c) enum, bind(c)
enumerator :: undefined_ID, & enumerator :: undefined_ID, &
edge_density_ID, & edge_density_ID, &
@ -56,7 +48,11 @@ module plastic_dislotwin
integer(kind(undefined_ID)), dimension(:), allocatable, private :: & integer(kind(undefined_ID)), dimension(:), allocatable, private :: &
outputID !< ID of each post result output outputID !< ID of each post result output
logical :: &
isFCC !< twinning and transformation models are for fcc
real(pReal) :: & real(pReal) :: &
mu, &
nu, &
CAtomicVolume, & !< atomic volume in Bugers vector unit CAtomicVolume, & !< atomic volume in Bugers vector unit
D0, & !< prefactor for self-diffusion coefficient D0, & !< prefactor for self-diffusion coefficient
Qsd, & !< activation energy for dislocation climb Qsd, & !< activation energy for dislocation climb
@ -106,7 +102,7 @@ module plastic_dislotwin
Ndot0_twin, & !< twin nucleation rate [1/m³s] for each twin system and instance Ndot0_twin, & !< twin nucleation rate [1/m³s] for each twin system and instance
Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system and instance Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system and instance
twinsize, & !< twin thickness [m] for each twin system and instance twinsize, & !< twin thickness [m] for each twin system and instance
CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance
lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance
p, & !< p-exponent in glide velocity p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity q, & !< q-exponent in glide velocity
@ -123,13 +119,15 @@ module plastic_dislotwin
interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance
integer(pInt), dimension(:,:), allocatable, private :: & integer(pInt), dimension(:,:), allocatable, private :: &
fcc_twinNucleationSlipPair fcc_twinNucleationSlipPair
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:), allocatable, private :: &
forestProjectionEdge, &
C66
real(pReal), dimension(:,:,:), allocatable, private :: &
Schmid_trans, & Schmid_trans, &
Schmid_slip, & Schmid_slip, &
Schmid_twin Schmid_twin, &
real(pReal), dimension(:,:,:), allocatable, private :: & C66_twin, &
Ctwin66, & C66_trans
Ctrans66
end type end type
type(tParameters), dimension(:), allocatable, private,target :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable, private,target :: param !< containers of constitutive parameters (len Ninstance)
@ -161,8 +159,7 @@ module plastic_dislotwin
end type tDislotwinState end type tDislotwinState
type, private :: tDislotwinMicrostructure type, private :: tDislotwinMicrostructure
real(pReal), allocatable, dimension(:,:) :: &
real(pReal), pointer, dimension(:,:) :: &
invLambdaSlip, & invLambdaSlip, &
invLambdaSlipTwin, & invLambdaSlipTwin, &
invLambdaTwin, & invLambdaTwin, &
@ -176,13 +173,15 @@ module plastic_dislotwin
threshold_stress_trans, & threshold_stress_trans, &
twinVolume, & twinVolume, &
martensiteVolume, & martensiteVolume, &
tau_r_twin, & tau_r_twin, & !< stress to bring partial close together for each twin system and instance
tau_r_trans tau_r_trans !< stress to bring partial close together for each trans system and instance
end type tDislotwinMicrostructure end type tDislotwinMicrostructure
type(tDislotwinState), allocatable, dimension(:), private :: & type(tDislotwinState), allocatable, dimension(:), private :: &
state, & state, &
dotState dotState
type(tDislotwinMicrostructure), allocatable, dimension(:), private :: &
microstructure
public :: & public :: &
plastic_dislotwin_init, & plastic_dislotwin_init, &
@ -277,7 +276,8 @@ subroutine plastic_dislotwin_init(fileUnit)
character(len=65536), dimension(0), parameter :: emptyString = [character(len=65536)::] character(len=65536), dimension(0), parameter :: emptyString = [character(len=65536)::]
type(tParameters),pointer :: prm type(tParameters) :: prm
type(tDislotwinMicrostructure) :: mse
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>'
@ -303,11 +303,14 @@ subroutine plastic_dislotwin_init(fileUnit)
allocate(param(maxNinstance)) allocate(param(maxNinstance))
allocate(state(maxNinstance)) allocate(state(maxNinstance))
allocate(dotState(maxNinstance)) allocate(dotState(maxNinstance))
allocate(microstructure(maxNinstance))
do p = 1_pInt, size(phase_plasticityInstance) do p = 1_pInt, size(phase_plasticityInstance)
if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle
instance = phase_plasticityInstance(p) instance = phase_plasticityInstance(p)
prm => param(instance) associate(prm => param(instance))
prm%isFCC = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID)
prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyInt) prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyInt)
if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip')
@ -333,8 +336,8 @@ subroutine plastic_dislotwin_init(fileUnit)
prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance')
prm%CLambdaSlipPerSlipSystem = config_phase(p)%getFloats('clambdaslip') prm%CLambdaSlip = config_phase(p)%getFloats('clambdaslip')
prm%CLambdaSlipPerSlipSystem= math_expand(prm%CLambdaSlipPerSlipSystem,prm%Nslip) prm%CLambdaSlip= math_expand(prm%CLambdaSlip,prm%Nslip)
prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',defaultVal=[0.0_pReal]) prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',defaultVal=[0.0_pReal])
@ -357,7 +360,7 @@ subroutine plastic_dislotwin_init(fileUnit)
prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%interaction_TwinTwin = spread(config_phase(p)%getFloats('interaction_twintwin'),2,1) prm%interaction_TwinTwin = spread(config_phase(p)%getFloats('interaction_twintwin'),2,1)
if (lattice_structure(p) /= LATTICE_fcc_ID) then if (.not. prm%isFCC) then
prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin') prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin')
prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin)
endif endif
@ -474,7 +477,6 @@ subroutine plastic_dislotwin_init(fileUnit)
case ('twin_fraction') case ('twin_fraction')
outputID = twin_fraction_ID outputID = twin_fraction_ID
outputSize = prm%totalNtwin outputSize = prm%totalNtwin
case ('shear_rate_twin','shearrate_twin') case ('shear_rate_twin','shearrate_twin')
outputID = shear_rate_twin_ID outputID = shear_rate_twin_ID
outputSize = prm%totalNtwin outputSize = prm%totalNtwin
@ -494,7 +496,6 @@ subroutine plastic_dislotwin_init(fileUnit)
case ('resolved_stress_shearband') case ('resolved_stress_shearband')
outputID = resolved_stress_shearband_ID outputID = resolved_stress_shearband_ID
outputSize = 6_pInt outputSize = 6_pInt
case ('shear_rate_shearband','shearrate_shearband') case ('shear_rate_shearband','shearrate_shearband')
outputID = shear_rate_shearband_ID outputID = shear_rate_shearband_ID
outputSize = 6_pInt outputSize = 6_pInt
@ -516,7 +517,6 @@ subroutine plastic_dislotwin_init(fileUnit)
plastic_dislotwin_sizePostResult(i,instance) = outputSize plastic_dislotwin_sizePostResult(i,instance) = outputSize
prm%outputID = [prm%outputID , outputID] prm%outputID = [prm%outputID , outputID]
endif endif
enddo enddo
@ -576,16 +576,9 @@ subroutine plastic_dislotwin_init(fileUnit)
prm%qShearBand <= 0.0_pReal) & prm%qShearBand <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')')
enddo
! ToDo: this works only for one instance!
allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal)
initializeInstances: do p = 1_pInt, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle
NofMyPhase=count(material_phase==p) NofMyPhase=count(material_phase==p)
instance = phase_plasticityInstance(p)
prm => param(instance)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate state arrays ! allocate state arrays
@ -630,10 +623,15 @@ subroutine plastic_dislotwin_init(fileUnit)
plasticState(p)%accumulatedSlip => & plasticState(p)%accumulatedSlip => &
plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase)
prm%mu = lattice_mu(p)
prm%nu = lattice_nu(p)
prm%C66 = lattice_C66(1:6,1:6,p)
allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal)
allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal)
allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal)
allocate(prm%Schmid_slip(3,3,prm%totalNslip),source = 0.0_pReal) allocate(prm%Schmid_slip(3,3,prm%totalNslip),source = 0.0_pReal)
allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal)
i = 0_pInt i = 0_pInt
mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1)
index_myFamily = sum(prm%Nslip(1:f-1_pInt)) index_myFamily = sum(prm%Nslip(1:f-1_pInt))
@ -644,7 +642,7 @@ subroutine plastic_dislotwin_init(fileUnit)
do o = 1_pInt, size(prm%Nslip,1) do o = 1_pInt, size(prm%Nslip,1)
index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) index_otherFamily = sum(prm%Nslip(1:o-1_pInt))
do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip)
forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & prm%forestProjectionEdge(index_myFamily+j,index_otherFamily+k) = &
abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), &
lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p))) lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p)))
temp1(index_myFamily+j,index_otherFamily+k) = & temp1(index_myFamily+j,index_otherFamily+k) = &
@ -683,7 +681,7 @@ subroutine plastic_dislotwin_init(fileUnit)
allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal)
allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal) allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal)
allocate(prm%Ctwin66(6,6,prm%totalNtwin), source=0.0_pReal) allocate(prm%C66_twin(6,6,prm%totalNtwin), source=0.0_pReal)
if (allocated(Ctwin3333)) deallocate(Ctwin3333) if (allocated(Ctwin3333)) deallocate(Ctwin3333)
allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal)
allocate(prm%Schmid_twin(3,3,prm%totalNtwin),source = 0.0_pReal) allocate(prm%Schmid_twin(3,3,prm%totalNtwin),source = 0.0_pReal)
@ -712,7 +710,7 @@ subroutine plastic_dislotwin_init(fileUnit)
lattice_Qtwin(o,s,index_otherFamily+j,p) lattice_Qtwin(o,s,index_otherFamily+j,p)
enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo
enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo
prm%Ctwin66(1:6,1:6,index_myFamily+j) = & prm%C66_twin(1:6,1:6,index_myFamily+j) = &
math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j)) math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j))
!* Interaction matrices !* Interaction matrices
@ -744,7 +742,7 @@ subroutine plastic_dislotwin_init(fileUnit)
allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal)
allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal) allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal)
allocate(prm%Ctrans66(6,6,prm%totalNtrans) ,source=0.0_pReal) allocate(prm%C66_trans(6,6,prm%totalNtrans) ,source=0.0_pReal)
if (allocated(Ctrans3333)) deallocate(Ctrans3333) if (allocated(Ctrans3333)) deallocate(Ctrans3333)
allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal)
allocate(prm%Schmid_trans(3,3,prm%totalNtrans),source = 0.0_pReal) allocate(prm%Schmid_trans(3,3,prm%totalNtrans),source = 0.0_pReal)
@ -766,7 +764,7 @@ subroutine plastic_dislotwin_init(fileUnit)
lattice_Qtrans(o,s,index_otherFamily+j,p) lattice_Qtrans(o,s,index_otherFamily+j,p)
enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo
enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo
prm%Ctrans66(1:6,1:6,index_myFamily+j) = & prm%C66_trans(1:6,1:6,index_myFamily+j) = &
math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j)) math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j))
!* Interaction matrices !* Interaction matrices
@ -861,8 +859,8 @@ subroutine plastic_dislotwin_init(fileUnit)
invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip)
forall (i = 1_pInt:prm%totalNslip) & forall (i = 1_pInt:prm%totalNslip) &
invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ & invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ &
math_expand(prm%rhoDip0,prm%Nslip),forestProjectionEdge(1:prm%totalNslip,i,instance)))/ & math_expand(prm%rhoDip0,prm%Nslip),prm%forestProjectionEdge(1:prm%totalNslip,i)))/ &
prm%CLambdaSlipPerSlipSystem(i) prm%CLambdaSlip(i)
plasticState(p)%state0(startIndex:endIndex,:) = & plasticState(p)%state0(startIndex:endIndex,:) = &
spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase) spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase)
@ -944,12 +942,10 @@ subroutine plastic_dislotwin_init(fileUnit)
plasticState(p)%state0(startIndex:endIndex,:) = & plasticState(p)%state0(startIndex:endIndex,:) = &
spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase)
enddo initializeInstances allocate(microstructure(instance)%tau_r_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal)
allocate(microstructure(instance)%tau_r_trans(prm%totalNtrans,NofMyPhase), source=0.0_pReal)
! ToDo: this should be stored somewhere else. Works only for the whole instance!! end associate
! ToDo: prm%totalNtwin should be the maximum over all totalNtwins! enddo
allocate(tau_r_twin(prm%totalNtwin, maxNinstance), source=0.0_pReal)
allocate(tau_r_trans(prm%totalNtrans, maxNinstance), source=0.0_pReal)
end subroutine plastic_dislotwin_init end subroutine plastic_dislotwin_init
@ -958,10 +954,9 @@ end subroutine plastic_dislotwin_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_dislotwin_homogenizedC(ipc,ip,el) function plastic_dislotwin_homogenizedC(ipc,ip,el)
use material, only: & use material, only: &
material_phase, &
phase_plasticityInstance, & phase_plasticityInstance, &
phaseAt, phasememberAt phasememberAt
use lattice, only: &
lattice_C66
implicit none implicit none
real(pReal), dimension(6,6) :: & real(pReal), dimension(6,6) :: &
@ -973,35 +968,28 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el)
type(tParameters) :: prm type(tParameters) :: prm
type(tDislotwinState) :: stt type(tDislotwinState) :: stt
integer(pInt) :: instance,i, & integer(pInt) :: s, &
ph, &
of of
real(pReal) :: sumf, sumftr real(pReal) :: sumf_twin, sumf_trans
!* Shortened notation !* Shortened notation
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
ph = phaseAt(ipc,ip,el) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),&
instance = phase_plasticityInstance(ph) stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))))
associate( prm => param(instance), stt =>state(instance))
sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of))
!* Total twin volume fraction sumf_trans = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + &
sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0
!* Total transformed volume fraction
sumftr = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + &
sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of))
!* Homogenized elasticity matrix plastic_dislotwin_homogenizedC = (1.0_pReal-sumf_twin-sumf_trans)*prm%C66
plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph) do s=1_pInt,prm%totalNtwin
do i=1_pInt,prm%totalNtwin
plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC &
+ stt%twinFraction(i,of)*prm%Ctwin66(1:6,1:6,i) + stt%twinFraction(s,of)*prm%C66_twin(1:6,1:6,s)
enddo enddo
do i=1_pInt,prm%totalNtrans do s=1_pInt,prm%totalNtrans
plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC &
+ (stt%stressTransFraction(i,of) + stt%strainTransFraction(i,of))*& +(stt%stressTransFraction(i,of)+stt%strainTransFraction(s,of))*&
prm%Ctrans66(1:6,1:6,i) prm%C66_trans(1:6,1:6,s)
enddo enddo
end associate end associate
end function plastic_dislotwin_homogenizedC end function plastic_dislotwin_homogenizedC
@ -1011,15 +999,11 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
use math, only: & use math, only: &
pi PI
use material, only: & use material, only: &
material_phase, & material_phase, &
phase_plasticityInstance, & phase_plasticityInstance, &
plasticState, & phasememberAt
phaseAt, phasememberAt
use lattice, only: &
lattice_mu, &
lattice_nu
implicit none implicit none
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
@ -1030,12 +1014,10 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
temperature !< temperature at IP temperature !< temperature at IP
integer(pInt) :: & integer(pInt) :: &
instance, &
s, & s, &
ph, &
of of
real(pReal) :: & real(pReal) :: &
sumf,sfe,sumftr sumf_twin,sfe,sumf_trans
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
x0, & x0, &
fOverStacksize, & fOverStacksize, &
@ -1043,52 +1025,53 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
type(tParameters) :: prm !< parameters of present instance type(tParameters) :: prm !< parameters of present instance
type(tDislotwinState) :: stt !< state of present instance type(tDislotwinState) :: stt !< state of present instance
type(tDislotwinMicrostructure) :: mse
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
ph = material_phase(ipc,ip,el)
associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),&
stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), &
mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el))))
sumf = sum(stt%twinFraction(1:prm%totalNtwin,of)) sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of))
sumftr = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) &
+ sum(stt%strainTransFraction(1:prm%totalNtrans,of)) + sum(stt%strainTransFraction(1:prm%totalNtrans,of))
sfe = prm%SFE_0K + prm%dSFE_dT * Temperature sfe = prm%SFE_0K + prm%dSFE_dT * Temperature
!* rescaled volume fraction for topology !* rescaled volume fraction for topology
fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: This is per system
ftransOverLamellarSize = sumftr /prm%lamellarsizePerTransSystem ftransOverLamellarSize = sumf_trans/prm%lamellarsizePerTransSystem !ToDo: But this not ...
!* 1/mean free distance between 2 forest dislocations seen by a moving dislocation !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation
forall (s = 1_pInt:prm%totalNslip) & forall (s = 1_pInt:prm%totalNslip) &
stt%invLambdaSlip(s,of) = & stt%invLambdaSlip(s,of) = &
sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),&
forestProjectionEdge(1:prm%totalNslip,s,instance)))/prm%CLambdaSlipPerSlipSystem(s) prm%forestProjectionEdge(1:prm%totalNslip,s)))/prm%CLambdaSlip(s)
!* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
!$OMP CRITICAL (evilmatmul) !$OMP CRITICAL (evilmatmul)
if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) & if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) &
stt%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & stt%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = &
matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf) matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf_twin)
!* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
!ToDo: needed? if (prm%totalNtwin > 0_pInt) & !ToDo: needed? if (prm%totalNtwin > 0_pInt) &
stt%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & stt%invLambdaTwin(1_pInt:prm%totalNtwin,of) = &
matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf) matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin)
!* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) & if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) &
stt%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & stt%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = &
matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumftr) matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans)
!ToDo: needed? if (prm%totalNtrans > 0_pInt) & !ToDo: needed? if (prm%totalNtrans > 0_pInt) &
stt%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & stt%invLambdaTrans(1_pInt:prm%totalNtrans,of) = &
matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumftr) matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!$OMP END CRITICAL (evilmatmul) !$OMP END CRITICAL (evilmatmul)
!* mean free path between 2 obstacles seen by a moving dislocation !* mean free path between 2 obstacles seen by a moving dislocation
@ -1110,33 +1093,29 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
!* threshold stress for dislocation motion !* threshold stress for dislocation motion
forall (s = 1_pInt:prm%totalNslip) stt%threshold_stress_slip(s,of) = & forall (s = 1_pInt:prm%totalNslip) stt%threshold_stress_slip(s,of) = &
lattice_mu(ph)*prm%burgers_slip(s)*& prm%mu*prm%burgers_slip(s)*&
sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),& sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),&
prm%interaction_SlipSlip(s,1:prm%totalNslip))) prm%interaction_SlipSlip(s,1:prm%totalNslip)))
!* threshold stress for growing twin/martensite !* threshold stress for growing twin/martensite
stt%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & stt%threshold_stress_twin(:,of) = prm%Cthresholdtwin* &
(sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*lattice_mu(ph)/ & (sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ &
(prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct? (prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct?
stt%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & stt%threshold_stress_trans(:,of) = prm%Cthresholdtrans* &
(sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*lattice_mu(ph)/& (sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/&
(prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) (prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) )
! final volume after growth ! final volume after growth
stt%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*stt%mfp_twin(:,of)**2.0_pReal stt%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*stt%mfp_twin(:,of)**2.0_pReal
stt%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*stt%mfp_trans(:,of)**2.0_pReal stt%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*stt%mfp_trans(:,of)**2.0_pReal
!ToDo: MD: This does not work for non-isothermal simulations!!!!!
!* equilibrium separation of partial dislocations (twin) !* equilibrium separation of partial dislocations (twin)
x0 = lattice_mu(ph)*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) x0 = prm%mu*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu)
tau_r_twin(:,instance)= lattice_mu(ph)*prm%burgers_twin/(2.0_pReal*PI)*& mse%tau_r_twin(:,of) = prm%mu*prm%burgers_twin/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0)
(1/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0)
!* equilibrium separation of partial dislocations (trans) !* equilibrium separation of partial dislocations (trans)
x0 = lattice_mu(ph)*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) x0 = prm%mu*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu)
tau_r_trans(:,instance)= lattice_mu(ph)*prm%burgers_trans/(2.0_pReal*PI)*& mse%tau_r_trans(:,of) = prm%mu*prm%burgers_trans/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0)
(1/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0)
end associate end associate
end subroutine plastic_dislotwin_microstructure end subroutine plastic_dislotwin_microstructure
@ -1160,12 +1139,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
math_mul33x3 math_mul33x3
use material, only: & use material, only: &
material_phase, & material_phase, &
plasticState, &
phase_plasticityInstance, & phase_plasticityInstance, &
phaseAt, phasememberAt phasememberAt
use lattice, only: &
lattice_structure, &
LATTICE_fcc_ID
implicit none implicit none
integer(pInt), intent(in) :: ipc,ip,el integer(pInt), intent(in) :: ipc,ip,el
@ -1174,14 +1149,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99
integer(pInt) :: ph,of,j,k,l,m,n,s1,s2,instance integer(pInt) :: of,j,k,l,m,n,s1,s2
real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,& real(pReal) :: sumf_twin,sumf_trans,StressRatio_p,StressRatio_pminus1,&
StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, & StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, &
Ndot0_trans,StressRatio_s, & Ndot0_trans,StressRatio_s, &
dgdot_dtau, & dgdot_dtau, &
tau tau
real(pReal), dimension(3,3,3,3) :: dLp_dS real(pReal), dimension(3,3,3,3) :: dLp_dS
real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & real(pReal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNslip) :: &
gdot_slip gdot_slip
real(pReal):: gdot_sb,gdot_twin,gdot_trans real(pReal):: gdot_sb,gdot_twin,gdot_trans
real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand
@ -1213,14 +1188,13 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
type(tDislotwinState) :: ste !< state of present instance type(tDislotwinState) :: ste !< state of present instance
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
ph = material_phase(ipc,ip,el)
instance = phase_plasticityInstance(ph)
associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),&
stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), &
mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el))))
sumf = sum(stt%twinFraction(1:prm%totalNtwin,of)) sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of))
sumftr = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) &
+ sum(stt%strainTransFraction(1:prm%totalNtrans,of)) + sum(stt%strainTransFraction(1:prm%totalNtrans,of))
Lp = 0.0_pReal Lp = 0.0_pReal
@ -1255,8 +1229,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
enddo slipContribution enddo slipContribution
!ToDo: Why do this before shear banding? !ToDo: Why do this before shear banding?
Lp = Lp * (1.0_pReal - sumf - sumftr) Lp = Lp * (1.0_pReal - sumf_twin - sumf_trans)
dLp_dS = dLp_dS * (1.0_pReal - sumf - sumftr) dLp_dS = dLp_dS * (1.0_pReal - sumf_twin - sumf_trans)
shearBandingContribution: if(dNeq0(prm%sbVelocity)) then shearBandingContribution: if(dNeq0(prm%sbVelocity)) then
@ -1292,15 +1266,15 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
significantTwinStress: if (tau > tol_math_check) then significantTwinStress: if (tau > tol_math_check) then
StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j) StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j)
isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then isFCCtwin: if (prm%isFCC) then
s1=prm%fcc_twinNucleationSlipPair(1,j) s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j) s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau < tau_r_twin(j,instance)) then if (tau < mse%tau_r_twin(j,of)) then
Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct?
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
(prm%L0_twin*prm%burgers_slip(j))*& (prm%L0_twin*prm%burgers_slip(j))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(tau_r_twin(j,instance)-tau))) (mse%tau_r_twin(j,of)-tau)))
else else
Ndot0_twin=0.0_pReal Ndot0_twin=0.0_pReal
end if end if
@ -1308,7 +1282,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
Ndot0_twin=prm%Ndot0_twin(j) Ndot0_twin=prm%Ndot0_twin(j)
endif isFCCtwin endif isFCCtwin
gdot_twin = (1.0_pReal-sumf-sumftr)* prm%shear_twin(j) * stt%twinVolume(j,of) & gdot_twin = (1.0_pReal-sumf_twin-sumf_trans)* prm%shear_twin(j) * stt%twinVolume(j,of) &
* Ndot0_twin*exp(-StressRatio_r) * Ndot0_twin*exp(-StressRatio_r)
dgdot_dtau = ((gdot_twin*prm%r(j))/tau)*StressRatio_r dgdot_dtau = ((gdot_twin*prm%r(j))/tau)*StressRatio_r
@ -1327,14 +1301,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
significantTransStress: if (tau > tol_math_check) then significantTransStress: if (tau > tol_math_check) then
StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j) StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j)
isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then isFCCtrans: if (prm%isFCC) then
s1=prm%fcc_twinNucleationSlipPair(1,j) s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j) s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau < tau_r_trans(j,instance)) then if (tau < mse%tau_r_trans(j,of)) then
Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct?
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
(prm%L0_trans*prm%burgers_slip(j))*& (prm%L0_trans*prm%burgers_slip(j))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(tau_r_trans(j,instance)-tau))) (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(mse%tau_r_trans(j,of)-tau)))
else else
Ndot0_trans=0.0_pReal Ndot0_trans=0.0_pReal
end if end if
@ -1342,7 +1316,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
Ndot0_trans=prm%Ndot0_trans(j) Ndot0_trans=prm%Ndot0_trans(j)
endif isFCCtrans endif isFCCtrans
gdot_trans = (1.0_pReal-sumf-sumftr)* stt%martensiteVolume(j,of) & gdot_trans = (1.0_pReal-sumf_twin-sumf_trans)* stt%martensiteVolume(j,of) &
* Ndot0_trans*exp(-StressRatio_s) * Ndot0_trans*exp(-StressRatio_s)
dgdot_dtau = ((gdot_trans*prm%s(j))/tau)*StressRatio_s dgdot_dtau = ((gdot_trans*prm%s(j))/tau)*StressRatio_s
Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,j) Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,j)
@ -1376,11 +1350,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
material_phase, & material_phase, &
phase_plasticityInstance, & phase_plasticityInstance, &
plasticState, & plasticState, &
phaseAt, phasememberAt phasememberAt
use lattice, only: &
lattice_mu, &
lattice_structure, &
LATTICE_fcc_ID
implicit none implicit none
real(pReal), dimension(6), intent(in):: & real(pReal), dimension(6), intent(in):: &
@ -1395,7 +1365,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
integer(pInt) :: instance,j,s1,s2, & integer(pInt) :: instance,j,s1,s2, &
ph, & ph, &
of of
real(pReal) :: sumf,sumftr,StressRatio_p,BoltzmannRatio,& real(pReal) :: sumf_twin,sumf_trans,StressRatio_p,BoltzmannRatio,&
EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,&
Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, &
DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, &
@ -1408,6 +1378,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
S !< Second-Piola Kirchhoff stress S !< Second-Piola Kirchhoff stress
type(tParameters) :: prm type(tParameters) :: prm
type(tDislotwinState) :: stt, dst type(tDislotwinState) :: stt, dst
type(tDislotwinMicrostructure) :: mse
!* Shortened notation !* Shortened notation
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
@ -1419,10 +1390,11 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), &
stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), &
dst => dotstate(phase_plasticityInstance(material_phase(ipc,ip,el)))) dst => dotstate(phase_plasticityInstance(material_phase(ipc,ip,el))), &
mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el))))
sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of))
sumftr = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & sumf_trans = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + &
sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of))
slipState: do j = 1_pInt, prm%totalNslip slipState: do j = 1_pInt, prm%totalNslip
@ -1446,7 +1418,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
significantSlipStress2: if (dEq0(tau)) then significantSlipStress2: if (dEq0(tau)) then
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
else significantSlipStress2 else significantSlipStress2
EdgeDipDistance = (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& EdgeDipDistance = (3.0_pReal*prm%mu*prm%burgers_slip(j))/&
(16.0_pReal*PI*abs(tau)) (16.0_pReal*PI*abs(tau))
if (EdgeDipDistance>stt%mfp_slip(j,of)) EdgeDipDistance=stt%mfp_slip(j,of) if (EdgeDipDistance>stt%mfp_slip(j,of)) EdgeDipDistance=stt%mfp_slip(j,of)
if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance=EdgeDipMinDistance if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance=EdgeDipMinDistance
@ -1471,7 +1443,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
if (dEq0(EdgeDipDistance-EdgeDipMinDistance)) then if (dEq0(EdgeDipDistance-EdgeDipMinDistance)) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else else
ClimbVelocity = 3.0_pReal*lattice_mu(ph)*VacancyDiffusion*AtomicVolume/ & ClimbVelocity = 3.0_pReal*prm%mu*VacancyDiffusion*AtomicVolume/ &
(2.0_pReal*pi*kB*Temperature*(EdgeDipDistance+EdgeDipMinDistance)) (2.0_pReal*pi*kB*Temperature*(EdgeDipDistance+EdgeDipMinDistance))
DotRhoEdgeDipClimb = 4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(j,of)/ & DotRhoEdgeDipClimb = 4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(j,of)/ &
(EdgeDipDistance-EdgeDipMinDistance) (EdgeDipDistance-EdgeDipMinDistance)
@ -1488,21 +1460,21 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
significantTwinStress: if (tau > tol_math_check) then significantTwinStress: if (tau > tol_math_check) then
StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j) StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j)
isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then isFCCtwin: if (prm%isFCC) then
s1=prm%fcc_twinNucleationSlipPair(1,j) s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j) s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau < tau_r_twin(j,instance)) then if (tau < mse%tau_r_twin(j,of)) then
Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
(prm%L0_twin*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (prm%L0_twin*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(tau_r_twin(j,instance)-tau))) (mse%tau_r_twin(j,of)-tau)))
else else
Ndot0_twin=0.0_pReal Ndot0_twin=0.0_pReal
end if end if
else isFCCtwin else isFCCtwin
Ndot0_twin=prm%Ndot0_twin(j) Ndot0_twin=prm%Ndot0_twin(j)
endif isFCCtwin endif isFCCtwin
dst%twinFraction(j,of) = (1.0_pReal-sumf-sumftr)*& dst%twinFraction(j,of) = (1.0_pReal-sumf_twin-sumf_trans)*&
stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r)
dst%accshear_twin(j,of) = dst%twinFraction(j,of) * prm%shear_twin(j) dst%accshear_twin(j,of) = dst%twinFraction(j,of) * prm%shear_twin(j)
endif significantTwinStress endif significantTwinStress
@ -1515,21 +1487,21 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
significantTransStress: if (tau > tol_math_check) then significantTransStress: if (tau > tol_math_check) then
StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j) StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j)
isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then isFCCtrans: if (prm%isFCC) then
s1=prm%fcc_twinNucleationSlipPair(1,j) s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j) s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau < tau_r_trans(j,instance)) then if (tau < mse%tau_r_trans(j,of)) then
Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
(prm%L0_trans*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (prm%L0_trans*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(tau_r_trans(j,instance)-tau))) (mse%tau_r_trans(j,of)-tau)))
else else
Ndot0_trans=0.0_pReal Ndot0_trans=0.0_pReal
end if end if
else isFCCtrans else isFCCtrans
Ndot0_trans=prm%Ndot0_trans(j) Ndot0_trans=prm%Ndot0_trans(j)
endif isFCCtrans endif isFCCtrans
dst%strainTransFraction(j,of) = (1.0_pReal-sumf-sumftr)*& dst%strainTransFraction(j,of) = (1.0_pReal-sumf_twin-sumf_trans)*&
stt%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) stt%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s)
!* Dotstate for accumulated shear due to transformation !* Dotstate for accumulated shear due to transformation
!dst%accshear_trans(j,of) = dst%strainTransFraction(j,of) * & !dst%accshear_trans(j,of) = dst%strainTransFraction(j,of) * &
@ -1558,11 +1530,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos
material_phase, & material_phase, &
plasticState, & plasticState, &
phase_plasticityInstance,& phase_plasticityInstance,&
phaseAt, phasememberAt phasememberAt
use lattice, only: &
lattice_mu, &
lattice_structure, &
LATTICE_fcc_ID
implicit none implicit none
real(pReal), dimension(6), intent(in) :: & real(pReal), dimension(6), intent(in) :: &
@ -1577,32 +1545,30 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos
real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults) :: & real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults) :: &
postResults postResults
integer(pInt) :: & integer(pInt) :: &
instance,&
o,c,j,& o,c,j,&
s1,s2, & s1,s2, &
ph, &
of of
real(pReal) :: sumf,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, & real(pReal) :: sumf_twin,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, &
stressRatio stressRatio
real(preal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & real(preal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNslip) :: &
gdot_slip gdot_slip
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
S !< Second-Piola Kirchhoff stress S !< Second-Piola Kirchhoff stress
type(tParameters) :: prm type(tParameters) :: prm
type(tDislotwinState) :: stt type(tDislotwinState) :: stt
type(tDislotwinMicrostructure) :: mse
!* Shortened notation !* Shortened notation
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
ph = phaseAt(ipc,ip,el)
instance = phase_plasticityInstance(ph)
S = math_Mandel6to33(Tstar_v) S = math_Mandel6to33(Tstar_v)
associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), &
stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), &
mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el))))
sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0
c = 0_pInt c = 0_pInt
postResults = 0.0_pReal postResults = 0.0_pReal
@ -1651,7 +1617,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos
c = c + prm%totalNslip c = c + prm%totalNslip
case (edge_dipole_distance_ID) case (edge_dipole_distance_ID)
do j = 1_pInt, prm%totalNslip do j = 1_pInt, prm%totalNslip
postResults(c+j) = (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j)) & postResults(c+j) = (3.0_pReal*prm%mu*prm%burgers_slip(j)) &
/ (16.0_pReal*PI*abs(math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)))) / (16.0_pReal*PI*abs(math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j))))
postResults(c+j)=min(postResults(c+j),stt%mfp_slip(j,of)) postResults(c+j)=min(postResults(c+j),stt%mfp_slip(j,of))
! postResults(c+j)=max(postResults(c+j),& ! postResults(c+j)=max(postResults(c+j),&
@ -1708,23 +1674,22 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos
tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j))
if ( tau > 0.0_pReal ) then if ( tau > 0.0_pReal ) then
select case(lattice_structure(ph)) isFCCtwin: if (prm%isFCC) then
case (LATTICE_fcc_ID)
s1=prm%fcc_twinNucleationSlipPair(1,j) s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j) s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau < tau_r_twin(j,instance)) then if (tau < mse%tau_r_twin(j,of)) then
Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
(prm%L0_twin* prm%burgers_slip(j))*& (prm%L0_twin* prm%burgers_slip(j))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)* (tau_r_twin(j,instance)-tau))) (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)* (mse%tau_r_twin(j,of)-tau)))
else else
Ndot0_twin=0.0_pReal Ndot0_twin=0.0_pReal
end if end if
case default else isFCCtwin
Ndot0_twin=prm%Ndot0_twin(j) Ndot0_twin=prm%Ndot0_twin(j)
end select endif isFCCtwin
StressRatio_r = (stt%threshold_stress_twin(j,of)/tau) **prm%r(j) StressRatio_r = (stt%threshold_stress_twin(j,of)/tau) **prm%r(j)
postResults(c+j) = (prm%MaxTwinFraction-sumf)*prm%shear_twin(j) & postResults(c+j) = (prm%MaxTwinFraction-sumf_twin)*prm%shear_twin(j) &
* stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) * stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r)
endif endif
enddo enddo