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Reading in of parameters made consistent

This commit is contained in:
Sharan Roongta 2018-06-25 20:07:35 +02:00
parent 57c6f44dfc
commit 2480d2f1ba
1 changed files with 296 additions and 234 deletions
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526
src/plastic_dislotwin.f90 Normal file → Executable file
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@ -43,14 +43,6 @@ module plastic_dislotwin
real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: &
Ctrans3333 !< trans elasticity matrix for each instance Ctrans3333 !< trans elasticity matrix for each instance
real(pReal), dimension(:,:), allocatable, private :: & real(pReal), dimension(:,:), allocatable, private :: &
rhoEdge0, & !< initial edge dislocation density per slip system for each family and instance
rhoEdgeDip0, & !< initial edge dipole density per slip system for each family and instance
burgersPerSlipFamily, & !< absolute length of burgers vector [m] for each slip family and instance
burgersPerSlipSystem, & !< absolute length of burgers vector [m] for each slip system and instance
burgersPerTwinFamily, & !< absolute length of burgers vector [m] for each twin family and instance
burgersPerTwinSystem, & !< absolute length of burgers vector [m] for each twin system and instance
burgersPerTransFamily, & !< absolute length of burgers vector [m] for each trans family and instance
burgersPerTransSystem, & !< absolute length of burgers vector [m] for each trans system and instance
QedgePerSlipFamily, & !< activation energy for glide [J] for each slip family and instance QedgePerSlipFamily, & !< activation energy for glide [J] for each slip family and instance
QedgePerSlipSystem, & !< activation energy for glide [J] for each slip system and instance QedgePerSlipSystem, & !< activation energy for glide [J] for each slip system and instance
v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance
@ -154,13 +146,21 @@ module plastic_dislotwin
Cthresholdtrans, & !< Cthresholdtrans, & !<
transStackHeight !< Stack height of hex nucleus transStackHeight !< Stack height of hex nucleus
!integer(pInt), dimension(:), allocatable, private :: & integer(pInt), dimension(:), allocatable, private :: &
! Nslip, & !< number of active slip systems for each family and instance Nslip, & !< number of active slip systems for each family and instance
! Ntwin, & !< number of active twin systems for each family and instance Ntwin, & !< number of active twin systems for each family and instance
! Ntrans !< number of active transformation systems for each family and instance Ntrans !< number of active transformation systems for each family and instance
real(pReal), dimension(:), allocatable, private :: &
rho0, & !< initial unipolar dislocation density per slip system
rhoDip0, & !< initial dipole dislocation density per slip system
burgers_slip, & !< absolute length of burgers vector [m] for each slip systems
burgers_twin, & !< absolute length of burgers vector [m] for each slip systems
burgers_trans !< absolute length of burgers vector [m] for each twin family and instance
end type end type
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable, private, target :: param !< containers of constitutive parameters (len Ninstance)
type, private :: tDislotwinState type, private :: tDislotwinState
@ -253,7 +253,8 @@ subroutine plastic_dislotwin_init(fileUnit)
material_phase, & material_phase, &
plasticState plasticState
use config, only: & use config, only: &
MATERIAL_partPhase MATERIAL_partPhase, &
phaseConfig
use lattice use lattice
use numerics,only: & use numerics,only: &
numerics_integrator numerics_integrator
@ -269,7 +270,7 @@ subroutine plastic_dislotwin_init(fileUnit)
Nchunks_SlipTrans = 0_pInt, Nchunks_TransSlip = 0_pInt, Nchunks_TransTrans = 0_pInt, & Nchunks_SlipTrans = 0_pInt, Nchunks_TransSlip = 0_pInt, Nchunks_TransTrans = 0_pInt, &
Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, Nchunks_TransFamilies = 0_pInt, & Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, Nchunks_TransFamilies = 0_pInt, &
offset_slip, index_myFamily, index_otherFamily, & offset_slip, index_myFamily, index_otherFamily, &
startIndex, endIndex, output_ID startIndex, endIndex, outputID,outputSize
integer(pInt) :: sizeState, sizeDotState, sizeDeltaState integer(pInt) :: sizeState, sizeDotState, sizeDeltaState
integer(pInt) :: NofMyPhase integer(pInt) :: NofMyPhase
@ -286,8 +287,14 @@ subroutine plastic_dislotwin_init(fileUnit)
tag = '', & tag = '', &
line = '' line = ''
character(len=65536), dimension(:), allocatable :: outputs
integer(pInt), dimension(0), parameter :: emptyInt = [integer(pInt)::]
real(pReal), dimension(0), parameter :: emptyReal = [real(pReal)::]
character(len=65536), dimension(0), parameter :: emptyString = [character(len=65536)::]
type(tParameters), pointer :: prm
real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin, tempPerTrans real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin, tempPerTrans
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>'
@ -321,16 +328,6 @@ subroutine plastic_dislotwin_init(fileUnit)
allocate(Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) allocate(Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt)
allocate(Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt) allocate(Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt)
allocate(rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
allocate(rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), &
source=0.0_pReal)
allocate(burgersPerTwinFamily(lattice_maxNtwinFamily,maxNinstance), &
source=0.0_pReal)
allocate(burgersPerTransFamily(lattice_maxNtransFamily,maxNinstance), &
source=0.0_pReal)
allocate(QedgePerSlipFamily(lattice_maxNslipFamily,maxNinstance), & allocate(QedgePerSlipFamily(lattice_maxNslipFamily,maxNinstance), &
source=0.0_pReal) source=0.0_pReal)
allocate(v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), & allocate(v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), &
@ -368,6 +365,210 @@ subroutine plastic_dislotwin_init(fileUnit)
source=0.0_pReal) source=0.0_pReal)
allocate(sPerTransFamily(lattice_maxNtransFamily,maxNinstance),source=0.0_pReal) allocate(sPerTransFamily(lattice_maxNtransFamily,maxNinstance),source=0.0_pReal)
do phase = 1_pInt, size(phase_plasticityInstance)
if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then
instance = phase_plasticityInstance(phase)
prm => param(instance)
prm%Nslip = phaseConfig(phase)%getInts('nslip',defaultVal=emptyInt)
!if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg)
if (sum(prm%Nslip) > 0_pInt) then
prm%rho0 = phaseConfig(phase)%getFloats('rhoedge0')
prm%rhoDip0 = phaseConfig(phase)%getFloats('rhoedgedip0')
prm%burgers_slip = phaseConfig(phase)%getFloats('slipburgers')
prm%aTolRho = phaseConfig(phase)%getFloat('atol_rho')
prm%CEdgeDipMinDistance = phaseConfig(phase)%getFloat('cedgedipmindistance')
endif
prm%Ntwin = phaseConfig(phase)%getInts('ntwin', defaultVal=emptyInt)
!if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg)
if (sum(prm%Ntwin) > 0_pInt) then
prm%burgers_twin = phaseConfig(phase)%getFloats('twinburgers')
prm%xc_twin = phaseConfig(phase)%getFloat('xc_twin')
prm%aTolTwinFrac = phaseConfig(phase)%getFloat('atol_twinfrac')
prm%L0_twin = phaseConfig(phase)%getFloat('l0_twin')
endif
prm%Ntrans = phaseConfig(phase)%getInts('ntrans', defaultVal=emptyInt)
!if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg)
if (sum(prm%Ntrans) > 0_pInt) then
prm%burgers_trans = phaseConfig(phase)%getFloats('transburgers')
prm%Cthresholdtrans = phaseConfig(phase)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%transStackHeight = phaseConfig(phase)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%Cmfptrans = phaseConfig(phase)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%deltaG = phaseConfig(phase)%getFloat('deltag')
prm%xc_trans = phaseConfig(phase)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L0_trans = phaseConfig(phase)%getFloat('l0_trans')
prm%aTolTransFrac = phaseConfig(phase)%getFloat('atol_transfrac')
endif
if (sum(prm%Ntwin) > 0_pInt .or. sum(prm%Ntrans) > 0_pInt) then
prm%SFE_0K = phaseConfig(phase)%getFloat('sfe_0k')
prm%dSFE_dT = phaseConfig(phase)%getFloat('dsfe_dt')
prm%VcrossSlip = phaseConfig(phase)%getFloat('vcrossslip')
endif
prm%sbResistance = phaseConfig(phase)%getFloat('shearbandresistance',defaultVal=0.0_pReal)
prm%sbVelocity = phaseConfig(phase)%getFloat('shearbandvelocity',defaultVal=0.0_pReal)
prm%CAtomicVolume = phaseConfig(phase)%getFloat('catomicvolume')
prm%GrainSize = phaseConfig(phase)%getFloat('grainsize')
prm%MaxTwinFraction = phaseConfig(phase)%getFloat('maxtwinfraction') ! ToDo: only used in postResults
prm%pShearBand = phaseConfig(phase)%getFloat('p_shearband')
prm%qShearBand = phaseConfig(phase)%getFloat('q_shearband')
prm%D0 = phaseConfig(phase)%getFloat('d0')
prm%Qsd = phaseConfig(phase)%getFloat('qsd')
prm%SolidSolutionStrength = phaseConfig(phase)%getFloat('solidsolutionstrength')
prm%dipoleFormationFactor= phaseConfig(phase)%getFloat('dipoleformationfactor', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%sbQedge = phaseConfig(phase)%getFloat('qedgepersbsystem')
! case ('p_shearband')
! prm%pShearBand = IO_floatValue(line,chunkPos,2_pInt)
! case ('q_shearband')
! prm%qShearBand = IO_floatValue(line,chunkPos,2_pInt)
! case ('d0')
! prm%D0 = IO_floatValue(line,chunkPos,2_pInt)
! case ('qsd')
! prm%Qsd = IO_floatValue(line,chunkPos,2_pInt)
! case ('atol_twinfrac')
! prm%aTolTwinFrac = IO_floatValue(line,chunkPos,2_pInt)
! case ('atol_transfrac')
! prm%aTolTransFrac = IO_floatValue(line,chunkPos,2_pInt)
! case ('solidsolutionstrength')
! prm%SolidSolutionStrength = IO_floatValue(line,chunkPos,2_pInt)
! case ('l0_twin')
! prm%L0_twin = IO_floatValue(line,chunkPos,2_pInt)
! case ('vcrossslip')
! prm%VcrossSlip = IO_floatValue(line,chunkPos,2_pInt)
! case ('cedgedipmindistance')
! prm%CEdgeDipMinDistance = IO_floatValue(line,chunkPos,2_pInt)
! case ('sfe_0k')
! prm%SFE_0K = IO_floatValue(line,chunkPos,2_pInt)
! case ('dsfe_dt')
! prm%dSFE_dT = IO_floatValue(line,chunkPos,2_pInt)
! case ('dipoleformationfactor')
! prm%dipoleFormationFactor = IO_floatValue(line,chunkPos,2_pInt)
! case ('qedgepersbsystem')
! prm%sbQedge = IO_floatValue(line,chunkPos,2_pInt)
outputs = phaseConfig(phase)%getStrings('(output)', defaultVal=emptyString)
allocate(prm%outputID(0))
do i= 1_pInt, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('edge_density')
outputID = edge_density_ID
outputSize = sum(prm%Nslip)
case ('dipole_density')
outputID = dipole_density_ID
outputSize = sum(prm%Nslip)
case ('shear_rate_slip','shearrate_slip')
outputID = shear_rate_slip_ID
outputSize = sum(prm%Nslip)
case ('accumulated_shear_slip')
outputID = accumulated_shear_slip_ID
outputSize = sum(prm%Nslip)
case ('mfp_slip')
outputID = mfp_slip_ID
outputSize = sum(prm%Nslip)
case ('resolved_stress_slip')
outputID = resolved_stress_slip_ID
outputSize = sum(prm%Nslip)
case ('threshold_stress_slip')
outputID= threshold_stress_slip_ID
outputSize = sum(prm%Nslip)
case ('edge_dipole_distance')
outputID = edge_dipole_distance_ID
outputSize = sum(prm%Nslip)
case ('stress_exponent')
outputID = stress_exponent_ID
outputSize = sum(prm%Nslip)
case ('twin_fraction')
outputID = twin_fraction_ID
outputSize = sum(prm%Ntwin)
case ('shear_rate_twin','shearrate_twin')
outputID= shear_rate_twin_ID
outputSize = sum(prm%Ntwin)
case ('accumulated_shear_twin')
outputID = accumulated_shear_twin_ID
outputSize = sum(prm%Ntwin)
case ('mfp_twin')
outputID = mfp_twin_ID
outputSize = sum(prm%Ntwin)
case ('resolved_stress_twin')
outputID = resolved_stress_twin_ID
outputSize = sum(prm%Ntwin)
case ('threshold_stress_twin')
outputID = threshold_stress_twin_ID
outputSize = sum(prm%Ntwin)
case ('resolved_stress_shearband')
outputID = resolved_stress_shearband_ID
outputSize = 6_pInt
case ('shear_rate_shearband','shearrate_shearband')
outputID = shear_rate_shearband_ID
outputSize = 6_pInt
case ('sb_eigenvalues')
outputID = sb_eigenvalues_ID
outputSize = 3_pInt
case ('sb_eigenvectors')
outputID = sb_eigenvectors_ID
outputSize = 3_pInt
case ('stress_trans_fraction')
outputID = stress_trans_fraction_ID
outputSize = sum(prm%Ntrans)
case ('strain_trans_fraction')
outputID = strain_trans_fraction_ID
outputSize = sum(prm%Ntrans)
case ('trans_fraction','total_trans_fraction')
outputID = trans_fraction_ID
outputSize = sum(prm%Ntrans)
end select
if (outputID /= undefined_ID) then
plastic_dislotwin_output(i,instance) = outputs(i)
plastic_dislotwin_sizePostResult(i,instance) = outputSize
prm%outputID = [prm%outputID , outputID]
endif
enddo
endif
enddo
rewind(fileUnit) rewind(fileUnit)
phase = 0_pInt phase = 0_pInt
@ -402,7 +603,6 @@ subroutine plastic_dislotwin_init(fileUnit)
allocate(tempPerSlip(Nchunks_SlipFamilies)) allocate(tempPerSlip(Nchunks_SlipFamilies))
allocate(tempPerTwin(Nchunks_TwinFamilies)) allocate(tempPerTwin(Nchunks_TwinFamilies))
allocate(tempPerTrans(Nchunks_TransFamilies)) allocate(tempPerTrans(Nchunks_TransFamilies))
allocate(param(instance)%outputID(phase_Noutput(phase)), source=undefined_ID)
endif endif
cycle ! skip to next line cycle ! skip to next line
endif endif
@ -412,82 +612,7 @@ subroutine plastic_dislotwin_init(fileUnit)
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('(output)')
output_ID = undefined_ID
select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt)))
case ('edge_density')
output_ID = edge_density_ID
case ('dipole_density')
output_ID = dipole_density_ID
case ('shear_rate_slip','shearrate_slip')
output_ID = shear_rate_slip_ID
case ('accumulated_shear_slip')
output_ID = accumulated_shear_slip_ID
case ('mfp_slip')
output_ID = mfp_slip_ID
case ('resolved_stress_slip')
output_ID = resolved_stress_slip_ID
case ('threshold_stress_slip')
output_ID= threshold_stress_slip_ID
case ('edge_dipole_distance')
output_ID = edge_dipole_distance_ID
case ('stress_exponent')
output_ID = stress_exponent_ID
case ('twin_fraction')
output_ID = twin_fraction_ID
case ('shear_rate_twin','shearrate_twin')
output_ID= shear_rate_twin_ID
case ('accumulated_shear_twin')
output_ID = accumulated_shear_twin_ID
case ('mfp_twin')
output_ID = mfp_twin_ID
case ('resolved_stress_twin')
output_ID = resolved_stress_twin_ID
case ('threshold_stress_twin')
output_ID = threshold_stress_twin_ID
case ('resolved_stress_shearband')
output_ID = resolved_stress_shearband_ID
case ('shear_rate_shearband','shearrate_shearband')
output_ID = shear_rate_shearband_ID
case ('sb_eigenvalues')
output_ID = sb_eigenvalues_ID
case ('sb_eigenvectors')
output_ID = sb_eigenvectors_ID
case ('stress_trans_fraction')
output_ID = stress_trans_fraction_ID
case ('strain_trans_fraction')
output_ID = strain_trans_fraction_ID
case ('trans_fraction','total_trans_fraction')
output_ID = trans_fraction_ID
end select
if (output_ID /= undefined_ID) then
plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt
plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = IO_lc(IO_stringValue(line,chunkPos,2_pInt))
param(instance)%outputID(plastic_dislotwin_Noutput(instance)) = output_ID
endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! parameters depending on number of slip system families ! parameters depending on number of slip system families
@ -501,17 +626,11 @@ subroutine plastic_dislotwin_init(fileUnit)
Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j)
enddo enddo
case ('rhoedge0','rhoedgedip0','slipburgers','qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip') case ('qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip')
do j = 1_pInt, Nchunks_SlipFamilies do j = 1_pInt, Nchunks_SlipFamilies
tempPerSlip(j) = IO_floatValue(line,chunkPos,1_pInt+j) tempPerSlip(j) = IO_floatValue(line,chunkPos,1_pInt+j)
enddo enddo
select case(tag) select case(tag)
case ('rhoedge0')
rhoEdge0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies)
case ('rhoedgedip0')
rhoEdgeDip0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies)
case ('slipburgers')
burgersPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies)
case ('qedge') case ('qedge')
QedgePerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) QedgePerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies)
case ('v0') case ('v0')
@ -549,8 +668,6 @@ subroutine plastic_dislotwin_init(fileUnit)
Ndot0PerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) Ndot0PerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies)
case ('twinsize') case ('twinsize')
twinsizePerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) twinsizePerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies)
case ('twinburgers')
burgersPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies)
case ('r_twin') case ('r_twin')
rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies)
end select end select
@ -576,8 +693,6 @@ subroutine plastic_dislotwin_init(fileUnit)
Ndot0PerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) Ndot0PerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies)
case ('lamellarsize') case ('lamellarsize')
lamellarsizePerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) lamellarsizePerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies)
case ('transburgers')
burgersPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies)
case ('s_trans') case ('s_trans')
sPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) sPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies)
end select end select
@ -625,66 +740,7 @@ subroutine plastic_dislotwin_init(fileUnit)
do j = 1_pInt, Nchunks_TransTrans do j = 1_pInt, Nchunks_TransTrans
interaction_TransTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) interaction_TransTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j)
enddo enddo
!--------------------------------------------------------------------------------------------------
! parameters independent of number of slip/twin/trans systems
case ('grainsize')
param(instance)%GrainSize = IO_floatValue(line,chunkPos,2_pInt)
case ('maxtwinfraction')
param(instance)%MaxTwinFraction = IO_floatValue(line,chunkPos,2_pInt)
case ('p_shearband')
param(instance)%pShearBand = IO_floatValue(line,chunkPos,2_pInt)
case ('q_shearband')
param(instance)%qShearBand = IO_floatValue(line,chunkPos,2_pInt)
case ('d0')
param(instance)%D0 = IO_floatValue(line,chunkPos,2_pInt)
case ('qsd')
param(instance)%Qsd = IO_floatValue(line,chunkPos,2_pInt)
case ('atol_rho')
param(instance)%aTolRho = IO_floatValue(line,chunkPos,2_pInt)
case ('atol_twinfrac')
param(instance)%aTolTwinFrac = IO_floatValue(line,chunkPos,2_pInt)
case ('atol_transfrac')
param(instance)%aTolTransFrac = IO_floatValue(line,chunkPos,2_pInt)
case ('cmfptwin')
param(instance)%Cmfptwin = IO_floatValue(line,chunkPos,2_pInt)
case ('cthresholdtwin')
param(instance)%Cthresholdtwin = IO_floatValue(line,chunkPos,2_pInt)
case ('solidsolutionstrength')
param(instance)%SolidSolutionStrength = IO_floatValue(line,chunkPos,2_pInt)
case ('l0_twin')
param(instance)%L0_twin = IO_floatValue(line,chunkPos,2_pInt)
case ('l0_trans')
param(instance)%L0_trans = IO_floatValue(line,chunkPos,2_pInt)
case ('xc_twin')
param(instance)%xc_twin = IO_floatValue(line,chunkPos,2_pInt)
case ('xc_trans')
param(instance)%xc_trans = IO_floatValue(line,chunkPos,2_pInt)
case ('vcrossslip')
param(instance)%VcrossSlip = IO_floatValue(line,chunkPos,2_pInt)
case ('cedgedipmindistance')
param(instance)%CEdgeDipMinDistance = IO_floatValue(line,chunkPos,2_pInt)
case ('catomicvolume')
param(instance)%CAtomicVolume = IO_floatValue(line,chunkPos,2_pInt)
case ('sfe_0k')
param(instance)%SFE_0K = IO_floatValue(line,chunkPos,2_pInt)
case ('dsfe_dt')
param(instance)%dSFE_dT = IO_floatValue(line,chunkPos,2_pInt)
case ('dipoleformationfactor')
param(instance)%dipoleFormationFactor = IO_floatValue(line,chunkPos,2_pInt)
case ('shearbandresistance')
param(instance)%sbResistance = IO_floatValue(line,chunkPos,2_pInt)
case ('shearbandvelocity')
param(instance)%sbVelocity = IO_floatValue(line,chunkPos,2_pInt)
case ('qedgepersbsystem')
param(instance)%sbQedge = IO_floatValue(line,chunkPos,2_pInt)
case ('deltag')
param(instance)%deltaG = IO_floatValue(line,chunkPos,2_pInt)
case ('cmfptrans')
param(instance)%Cmfptrans = IO_floatValue(line,chunkPos,2_pInt)
case ('cthresholdtrans')
param(instance)%Cthresholdtrans = IO_floatValue(line,chunkPos,2_pInt)
case ('transstackheight')
param(instance)%transStackHeight = IO_floatValue(line,chunkPos,2_pInt)
end select end select
endif; endif endif; endif
enddo parsingFile enddo parsingFile
@ -701,12 +757,12 @@ subroutine plastic_dislotwin_init(fileUnit)
call IO_error(211_pInt,el=instance,ext_msg='Ntrans ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='Ntrans ('//PLASTICITY_DISLOTWIN_label//')')
do f = 1_pInt,lattice_maxNslipFamily do f = 1_pInt,lattice_maxNslipFamily
if (Nslip(f,instance) > 0_pInt) then if (Nslip(f,instance) > 0_pInt) then
if (rhoEdge0(f,instance) < 0.0_pReal) & ! if (rhoEdge0(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')')
if (rhoEdgeDip0(f,instance) < 0.0_pReal) & ! if (rhoEdgeDip0(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')')
if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) & ! if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')')
if (v0PerSlipFamily(f,instance) <= 0.0_pReal) & if (v0PerSlipFamily(f,instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')')
if (tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) & if (tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) &
@ -715,8 +771,8 @@ subroutine plastic_dislotwin_init(fileUnit)
enddo enddo
do f = 1_pInt,lattice_maxNtwinFamily do f = 1_pInt,lattice_maxNtwinFamily
if (Ntwin(f,instance) > 0_pInt) then if (Ntwin(f,instance) > 0_pInt) then
if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & ! if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')')
if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')')
endif endif
@ -776,9 +832,6 @@ subroutine plastic_dislotwin_init(fileUnit)
maxTotalNtwin = maxval(totalNtwin) maxTotalNtwin = maxval(totalNtwin)
maxTotalNtrans = maxval(totalNtrans) maxTotalNtrans = maxval(totalNtrans)
allocate(burgersPerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal)
allocate(burgersPerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal)
allocate(burgersPerTransSystem(maxTotalNtrans, maxNinstance), source=0.0_pReal)
allocate(QedgePerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) allocate(QedgePerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal)
allocate(v0PerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) allocate(v0PerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal)
allocate(Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) allocate(Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal)
@ -879,7 +932,7 @@ subroutine plastic_dislotwin_init(fileUnit)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate state arrays ! allocate state arrays
sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * ns & sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * ns &
+ int(size(['twinFraction','accsheartwin']),pInt) * nt & + int(size(['twinFraction','accsheartwin']),pInt) * nt &
+ int(size(['stressTransFraction','strainTransFraction']),pInt) * nr + int(size(['stressTransFraction','strainTransFraction']),pInt) * nr
sizeDeltaState = 0_pInt sizeDeltaState = 0_pInt
@ -920,6 +973,10 @@ subroutine plastic_dislotwin_init(fileUnit)
plasticState(phase)%accumulatedSlip => & plasticState(phase)%accumulatedSlip => &
plasticState(phase)%state (offset_slip+1:offset_slip+plasticState(phase)%nslip,1:NofMyPhase) plasticState(phase)%state (offset_slip+1:offset_slip+plasticState(phase)%nslip,1:NofMyPhase)
prm%burgers_slip = math_expand(prm%burgers_slip,Nslip(:,instance))
prm%burgers_twin = math_expand(prm%burgers_twin,Ntwin(:,instance))
prm%burgers_trans = math_expand(prm%burgers_trans,Ntrans(:,instance))
!* Process slip related parameters ------------------------------------------------ !* Process slip related parameters ------------------------------------------------
slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily
index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list
@ -930,8 +987,7 @@ subroutine plastic_dislotwin_init(fileUnit)
! mean free path prefactor, ! mean free path prefactor,
! and minimum dipole distance ! and minimum dipole distance
burgersPerSlipSystem(index_myFamily+j,instance) = &
burgersPerSlipFamily(f,instance)
QedgePerSlipSystem(index_myFamily+j,instance) = & QedgePerSlipSystem(index_myFamily+j,instance) = &
QedgePerSlipFamily(f,instance) QedgePerSlipFamily(f,instance)
@ -985,13 +1041,9 @@ subroutine plastic_dislotwin_init(fileUnit)
index_myFamily = sum(Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list index_myFamily = sum(Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list
twinSystemsLoop: do j = 1_pInt,Ntwin(f,instance) twinSystemsLoop: do j = 1_pInt,Ntwin(f,instance)
!* Burgers vector,
! nucleation rate prefactor, ! nucleation rate prefactor,
! and twin size ! and twin size
burgersPerTwinSystem(index_myFamily+j,instance) = &
burgersPerTwinFamily(f,instance)
Ndot0PerTwinSystem(index_myFamily+j,instance) = & Ndot0PerTwinSystem(index_myFamily+j,instance) = &
Ndot0PerTwinFamily(f,instance) Ndot0PerTwinFamily(f,instance)
@ -1047,9 +1099,6 @@ subroutine plastic_dislotwin_init(fileUnit)
! nucleation rate prefactor, ! nucleation rate prefactor,
! and martensite size ! and martensite size
burgersPerTransSystem(index_myFamily+j,instance) = &
burgersPerTransFamily(f,instance)
Ndot0PerTransSystem(index_myFamily+j,instance) = & Ndot0PerTransSystem(index_myFamily+j,instance) = &
Ndot0PerTransFamily(f,instance) Ndot0PerTransFamily(f,instance)
@ -1113,7 +1162,7 @@ subroutine plastic_dislotwin_init(fileUnit)
state(instance)%rhoEdge=>plasticState(phase)%state(startIndex:endIndex,:) state(instance)%rhoEdge=>plasticState(phase)%state(startIndex:endIndex,:)
dotState(instance)%rhoEdge=>plasticState(phase)%dotState(startIndex:endIndex,:) dotState(instance)%rhoEdge=>plasticState(phase)%dotState(startIndex:endIndex,:)
plasticState(phase)%state0(startIndex:endIndex,:) = & plasticState(phase)%state0(startIndex:endIndex,:) = &
spread(math_expand(rhoEdge0(instance,:),Nslip(instance,:)),2,NofMyPhase) spread(math_expand(prm%rho0,Nslip(instance,:)),2,NofMyPhase)
plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho
startIndex=endIndex+1 startIndex=endIndex+1
@ -1121,7 +1170,7 @@ subroutine plastic_dislotwin_init(fileUnit)
state(instance)%rhoEdgeDip=>plasticState(phase)%state(startIndex:endIndex,:) state(instance)%rhoEdgeDip=>plasticState(phase)%state(startIndex:endIndex,:)
dotState(instance)%rhoEdgeDip=>plasticState(phase)%dotState(startIndex:endIndex,:) dotState(instance)%rhoEdgeDip=>plasticState(phase)%dotState(startIndex:endIndex,:)
plasticState(phase)%state0(startIndex:endIndex,:) = & plasticState(phase)%state0(startIndex:endIndex,:) = &
spread(math_expand(rhoEdgeDip0(instance,:),Nslip(instance,:)),2,NofMyPhase) spread(math_expand(prm%rhoDip0,Nslip(instance,:)),2,NofMyPhase)
plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho
startIndex=endIndex+1 startIndex=endIndex+1
@ -1159,8 +1208,8 @@ subroutine plastic_dislotwin_init(fileUnit)
state(instance)%invLambdaSlip=>plasticState(phase)%state(startIndex:endIndex,:) state(instance)%invLambdaSlip=>plasticState(phase)%state(startIndex:endIndex,:)
invLambdaSlip0 = spread(0.0_pReal,1,ns) invLambdaSlip0 = spread(0.0_pReal,1,ns)
forall (i = 1_pInt:ns) & forall (i = 1_pInt:ns) &
invLambdaSlip0(i) = sqrt(dot_product(math_expand(rhoEdge0(instance,:),Nslip(instance,:))+ & invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,Nslip(instance,:))+ &
math_expand(rhoEdgeDip0(instance,:),Nslip(instance,:)),forestProjectionEdge(1:ns,i,instance)))/ & math_expand(prm%rhoDip0,Nslip(instance,:)),forestProjectionEdge(1:ns,i,instance)))/ &
CLambdaSlipPerSlipSystem(i,instance) CLambdaSlipPerSlipSystem(i,instance)
plasticState(phase)%state0(startIndex:endIndex,:) = & plasticState(phase)%state0(startIndex:endIndex,:) = &
spread(math_expand(invLambdaSlip0,Nslip(instance,:)),2, NofMyPhase) spread(math_expand(invLambdaSlip0,Nslip(instance,:)),2, NofMyPhase)
@ -1208,8 +1257,8 @@ subroutine plastic_dislotwin_init(fileUnit)
state(instance)%threshold_stress_slip=>plasticState(phase)%state(startIndex:endIndex,:) state(instance)%threshold_stress_slip=>plasticState(phase)%state(startIndex:endIndex,:)
tauSlipThreshold0 = spread(0.0_pReal,1,ns) tauSlipThreshold0 = spread(0.0_pReal,1,ns)
forall (i = 1_pInt:ns) tauSlipThreshold0(i) = & forall (i = 1_pInt:ns) tauSlipThreshold0(i) = &
lattice_mu(phase)*burgersPerSlipSystem(i,instance) * & lattice_mu(phase)*prm%burgers_slip(i) * &
sqrt(dot_product(math_expand(rhoEdge0(instance,:) + rhoEdgeDip0(instance,:),Nslip(instance,:)),& sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,Nslip(instance,:)),&
interactionMatrix_SlipSlip(i,1:ns,instance))) interactionMatrix_SlipSlip(i,1:ns,instance)))
plasticState(phase)%state0(startIndex:endIndex,:) = & plasticState(phase)%state0(startIndex:endIndex,:) = &
spread(math_expand(tauSlipThreshold0,Nslip(instance,:)),2, NofMyPhase) spread(math_expand(tauSlipThreshold0,Nslip(instance,:)),2, NofMyPhase)
@ -1334,6 +1383,9 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
ftransOverLamellarSize ftransOverLamellarSize
type(tParameters), pointer :: prm
!* Shortened notation !* Shortened notation
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
ph = phaseAt(ipc,ip,el) ph = phaseAt(ipc,ip,el)
@ -1341,7 +1393,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
ns = totalNslip(instance) ns = totalNslip(instance)
nt = totalNtwin(instance) nt = totalNtwin(instance)
nr = totalNtrans(instance) nr = totalNtrans(instance)
prm => param(instance)
!* Total twin volume fraction !* Total twin volume fraction
sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0
@ -1427,7 +1479,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
!* threshold stress for dislocation motion !* threshold stress for dislocation motion
forall (s = 1_pInt:ns) & forall (s = 1_pInt:ns) &
state(instance)%threshold_stress_slip(s,of) = & state(instance)%threshold_stress_slip(s,of) = &
lattice_mu(ph)*burgersPerSlipSystem(s,instance)*& lattice_mu(ph)*prm%burgers_slip(s)*&
sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),& sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),&
interactionMatrix_SlipSlip(s,1:ns,instance))) interactionMatrix_SlipSlip(s,1:ns,instance)))
@ -1435,27 +1487,27 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
forall (t = 1_pInt:nt) & forall (t = 1_pInt:nt) &
state(instance)%threshold_stress_twin(t,of) = & state(instance)%threshold_stress_twin(t,of) = &
param(instance)%Cthresholdtwin* & param(instance)%Cthresholdtwin* &
(sfe/(3.0_pReal*burgersPerTwinSystem(t,instance)) & (sfe/(3.0_pReal**prm%burgers_twin(t)) &
+ 3.0_pReal*burgersPerTwinSystem(t,instance)*lattice_mu(ph)/& + 3.0_pReal*prm%burgers_twin(t)*lattice_mu(ph)/&
(param(instance)%L0_twin*burgersPerSlipSystem(t,instance)) & (param(instance)%L0_twin*prm%burgers_slip(t)) &
) )
!* threshold stress for growing martensite !* threshold stress for growing martensite
forall (r = 1_pInt:nr) & forall (r = 1_pInt:nr) &
state(instance)%threshold_stress_trans(r,of) = & state(instance)%threshold_stress_trans(r,of) = &
param(instance)%Cthresholdtrans* & param(instance)%Cthresholdtrans* &
(sfe/(3.0_pReal*burgersPerTransSystem(r,instance)) & (sfe/(3.0_pReal*prm%burgers_trans(r)) &
+ 3.0_pReal*burgersPerTransSystem(r,instance)*lattice_mu(ph)/& + 3.0_pReal*prm%burgers_trans(r)*lattice_mu(ph)/&
(param(instance)%L0_trans*burgersPerSlipSystem(r,instance))& (param(instance)%L0_trans*prm%burgers_slip(r))&
+ param(instance)%transStackHeight*param(instance)%deltaG/ & + param(instance)%transStackHeight*param(instance)%deltaG/ &
(3.0_pReal*burgersPerTransSystem(r,instance)) & (3.0_pReal*prm%burgers_trans(r)) &
) )
!* final twin volume after growth !* final twin volume after growth
forall (t = 1_pInt:nt) & forall (t = 1_pInt:nt) &
state(instance)%twinVolume(t,of) = & state(instance)%twinVolume(t,of) = &
(pi/4.0_pReal)*twinsizePerTwinSystem(t,instance)*& (pi/4.0_pReal)*twinsizePerTwinSystem(t,instance)*&
state(instance)%mfp_twin(t,of)**(2.0_pReal) state(instance)%mfp_twin(t,of)**2.0_pReal
!* final martensite volume after growth !* final martensite volume after growth
forall (r = 1_pInt:nr) & forall (r = 1_pInt:nr) &
@ -1465,19 +1517,19 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
!* equilibrium separation of partial dislocations (twin) !* equilibrium separation of partial dislocations (twin)
do t = 1_pInt,nt do t = 1_pInt,nt
x0 = lattice_mu(ph)*burgersPerTwinSystem(t,instance)**(2.0_pReal)/& x0 = lattice_mu(ph)*prm%burgers_twin(t)**(2.0_pReal)/&
(sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph))
tau_r_twin(t,instance)= & tau_r_twin(t,instance)= &
lattice_mu(ph)*burgersPerTwinSystem(t,instance)/(2.0_pReal*pi)*& lattice_mu(ph)*prm%burgers_twin(t)/(2.0_pReal*pi)*&
(1/(x0+param(instance)%xc_twin)+cos(pi/3.0_pReal)/x0) (1/(x0+param(instance)%xc_twin)+cos(pi/3.0_pReal)/x0)
enddo enddo
!* equilibrium separation of partial dislocations (trans) !* equilibrium separation of partial dislocations (trans)
do r = 1_pInt,nr do r = 1_pInt,nr
x0 = lattice_mu(ph)*burgersPerTransSystem(r,instance)**(2.0_pReal)/& x0 = lattice_mu(ph)*prm%burgers_trans(r)**(2.0_pReal)/&
(sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph))
tau_r_trans(r,instance)= & tau_r_trans(r,instance)= &
lattice_mu(ph)*burgersPerTransSystem(r,instance)/(2.0_pReal*pi)*& lattice_mu(ph)*prm%burgers_trans(r)/(2.0_pReal*pi)*&
(1/(x0+param(instance)%xc_trans)+cos(pi/3.0_pReal)/x0) (1/(x0+param(instance)%xc_trans)+cos(pi/3.0_pReal)/x0)
enddo enddo
@ -1561,6 +1613,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
0, 1,-1, & 0, 1,-1, &
0, 1, 1 & 0, 1, 1 &
],pReal),[ 3,6]) ],pReal),[ 3,6])
type(tParameters), pointer :: prm
!* Shortened notation !* Shortened notation
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
ph = phaseAt(ipc,ip,el) ph = phaseAt(ipc,ip,el)
@ -1572,6 +1627,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
Lp = 0.0_pReal Lp = 0.0_pReal
dLp_dTstar3333 = 0.0_pReal dLp_dTstar3333 = 0.0_pReal
prm => param(instance)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Dislocation glide part ! Dislocation glide part
gdot_slip = 0.0_pReal gdot_slip = 0.0_pReal
@ -1596,7 +1653,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature)
!* Initial shear rates !* Initial shear rates
DotGamma0 = & DotGamma0 = &
state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)*& state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)*&
v0PerSlipSystem(j,instance) v0PerSlipSystem(j,instance)
!* Shear rates due to slip !* Shear rates due to slip
@ -1715,7 +1772,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
if (tau_twin(j) < tau_r_twin(j,instance)) then if (tau_twin(j) < tau_r_twin(j,instance)) then
Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct?
abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/&
(param(instance)%L0_twin*burgersPerSlipSystem(j,instance))*& (param(instance)%L0_twin*prm%burgers_slip(j))*&
(1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*&
(tau_r_twin(j,instance)-tau_twin(j)))) (tau_r_twin(j,instance)-tau_twin(j))))
else else
@ -1765,7 +1822,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
if (tau_trans(j) < tau_r_trans(j,instance)) then if (tau_trans(j) < tau_r_trans(j,instance)) then
Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct?
abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/&
(param(instance)%L0_trans*burgersPerSlipSystem(j,instance))*& (param(instance)%L0_trans*prm%burgers_slip(j))*&
(1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*&
(tau_r_trans(j,instance)-tau_trans(j)))) (tau_r_trans(j,instance)-tau_trans(j))))
else else
@ -1855,6 +1912,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
tau_trans tau_trans
type(tParameters), pointer :: prm
!* Shortened notation !* Shortened notation
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
ph = phaseAt(ipc,ip,el) ph = phaseAt(ipc,ip,el)
@ -1862,7 +1921,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
ns = totalNslip(instance) ns = totalNslip(instance)
nt = totalNtwin(instance) nt = totalNtwin(instance)
nr = totalNtrans(instance) nr = totalNtrans(instance)
prm => param(instance)
!* Total twin volume fraction !* Total twin volume fraction
sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0
plasticState(ph)%dotState(:,of) = 0.0_pReal plasticState(ph)%dotState(:,of) = 0.0_pReal
@ -1892,7 +1951,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature)
!* Initial shear rates !* Initial shear rates
DotGamma0 = & DotGamma0 = &
plasticState(ph)%state(j, of)*burgersPerSlipSystem(j,instance)*& plasticState(ph)%state(j, of)*prm%burgers_slip(j)*&
v0PerSlipSystem(j,instance) v0PerSlipSystem(j,instance)
!* Shear rates due to slip !* Shear rates due to slip
@ -1901,36 +1960,36 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
endif endif
!* Multiplication !* Multiplication
DotRhoMultiplication = abs(gdot_slip(j))/& DotRhoMultiplication = abs(gdot_slip(j))/&
(burgersPerSlipSystem(j,instance)*state(instance)%mfp_slip(j,of)) (prm%burgers_slip(j)*state(instance)%mfp_slip(j,of))
!* Dipole formation !* Dipole formation
EdgeDipMinDistance = & EdgeDipMinDistance = &
param(instance)%CEdgeDipMinDistance*burgersPerSlipSystem(j,instance) param(instance)%CEdgeDipMinDistance*prm%burgers_slip(j)
if (dEq0(tau_slip(j))) then if (dEq0(tau_slip(j))) then
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
else else
EdgeDipDistance = & EdgeDipDistance = &
(3.0_pReal*lattice_mu(ph)*burgersPerSlipSystem(j,instance))/& (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/&
(16.0_pReal*pi*abs(tau_slip(j))) (16.0_pReal*pi*abs(tau_slip(j)))
if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of) if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of)
if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance=EdgeDipMinDistance if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance=EdgeDipMinDistance
DotRhoDipFormation = & DotRhoDipFormation = &
((2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance))/burgersPerSlipSystem(j,instance))*& ((2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance))/prm%burgers_slip(j))*&
state(instance)%rhoEdge(j,of)*abs(gdot_slip(j))*param(instance)%dipoleFormationFactor state(instance)%rhoEdge(j,of)*abs(gdot_slip(j))*param(instance)%dipoleFormationFactor
endif endif
!* Spontaneous annihilation of 2 single edge dislocations !* Spontaneous annihilation of 2 single edge dislocations
DotRhoEdgeEdgeAnnihilation = & DotRhoEdgeEdgeAnnihilation = &
((2.0_pReal*EdgeDipMinDistance)/burgersPerSlipSystem(j,instance))*& ((2.0_pReal*EdgeDipMinDistance)/prm%burgers_slip(j))*&
state(instance)%rhoEdge(j,of)*abs(gdot_slip(j)) state(instance)%rhoEdge(j,of)*abs(gdot_slip(j))
!* Spontaneous annihilation of a single edge dislocation with a dipole constituent !* Spontaneous annihilation of a single edge dislocation with a dipole constituent
DotRhoEdgeDipAnnihilation = & DotRhoEdgeDipAnnihilation = &
((2.0_pReal*EdgeDipMinDistance)/burgersPerSlipSystem(j,instance))*& ((2.0_pReal*EdgeDipMinDistance)/prm%burgers_slip(j))*&
state(instance)%rhoEdgeDip(j,of)*abs(gdot_slip(j)) state(instance)%rhoEdgeDip(j,of)*abs(gdot_slip(j))
!* Dislocation dipole climb !* Dislocation dipole climb
AtomicVolume = & AtomicVolume = &
param(instance)%CAtomicVolume*burgersPerSlipSystem(j,instance)**(3.0_pReal) param(instance)%CAtomicVolume*prm%burgers_slip(j)**(3.0_pReal)
VacancyDiffusion = & VacancyDiffusion = &
param(instance)%D0*exp(-param(instance)%Qsd/(kB*Temperature)) param(instance)%D0*exp(-param(instance)%Qsd/(kB*Temperature))
if (dEq0(tau_slip(j))) then if (dEq0(tau_slip(j))) then
@ -1981,7 +2040,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
if (tau_twin(j) < tau_r_twin(j,instance)) then if (tau_twin(j) < tau_r_twin(j,instance)) then
Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/&
(param(instance)%L0_twin*burgersPerSlipSystem(j,instance))*& (param(instance)%L0_twin*prm%burgers_slip(j))*&
(1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*&
(tau_r_twin(j,instance)-tau_twin(j)))) (tau_r_twin(j,instance)-tau_twin(j))))
else else
@ -2022,7 +2081,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
if (tau_trans(j) < tau_r_trans(j,instance)) then if (tau_trans(j) < tau_r_trans(j,instance)) then
Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/&
(param(instance)%L0_trans*burgersPerSlipSystem(j,instance))*& (param(instance)%L0_trans*prm%burgers_slip(j))*&
(1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*&
(tau_r_trans(j,instance)-tau_trans(j)))) (tau_r_trans(j,instance)-tau_trans(j))))
else else
@ -2101,6 +2160,8 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
real(pReal), dimension(3,3) :: eigVectors real(pReal), dimension(3,3) :: eigVectors
real(pReal), dimension (3) :: eigValues real(pReal), dimension (3) :: eigValues
type(tParameters), pointer :: prm
!* Shortened notation !* Shortened notation
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
ph = phaseAt(ipc,ip,el) ph = phaseAt(ipc,ip,el)
@ -2109,6 +2170,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
nt = totalNtwin(instance) nt = totalNtwin(instance)
nr = totalNtrans(instance) nr = totalNtrans(instance)
prm => param(instance)
!* Total twin volume fraction !* Total twin volume fraction
sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0
@ -2145,7 +2207,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature)
!* Initial shear rates !* Initial shear rates
DotGamma0 = & DotGamma0 = &
state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)* & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* &
v0PerSlipSystem(j,instance) v0PerSlipSystem(j,instance)
!* Shear rates due to slip !* Shear rates due to slip
@ -2187,7 +2249,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family
j = j + 1_pInt j = j + 1_pInt
plastic_dislotwin_postResults(c+j) = & plastic_dislotwin_postResults(c+j) = &
(3.0_pReal*lattice_mu(ph)*burgersPerSlipSystem(j,instance))/& (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/&
(16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)))) (16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph))))
plastic_dislotwin_postResults(c+j)=min(plastic_dislotwin_postResults(c+j),& plastic_dislotwin_postResults(c+j)=min(plastic_dislotwin_postResults(c+j),&
state(instance)%mfp_slip(j,of)) state(instance)%mfp_slip(j,of))
@ -2254,7 +2316,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature)
!* Initial shear rates !* Initial shear rates
DotGamma0 = & DotGamma0 = &
state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)* & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* &
v0PerSlipSystem(j,instance) v0PerSlipSystem(j,instance)
!* Shear rates due to slip !* Shear rates due to slip
@ -2284,7 +2346,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/&
(param(instance)%L0_twin*& (param(instance)%L0_twin*&
burgersPerSlipSystem(j,instance))*& prm%burgers_slip(j))*&
(1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*&
(tau_r_twin(j,instance)-tau))) (tau_r_twin(j,instance)-tau)))
else else
@ -2346,7 +2408,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature)
!* Initial shear rates !* Initial shear rates
DotGamma0 = & DotGamma0 = &
state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)* & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* &
v0PerSlipSystem(j,instance) v0PerSlipSystem(j,instance)
!* Shear rates due to slip !* Shear rates due to slip