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simpler reading in

This commit is contained in:
Martin Diehl 2018-11-29 08:44:31 +01:00
parent 252f1a6a75
commit 28ec50a6a9
1 changed files with 23 additions and 25 deletions
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src/plastic_disloUCLA.f90
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@ -39,7 +39,6 @@ module plastic_disloUCLA
plastic_disloUCLA_CAtomicVolume, & !< atomic volume in Bugers vector unit plastic_disloUCLA_CAtomicVolume, & !< atomic volume in Bugers vector unit
plastic_disloUCLA_D0, & !< prefactor for self-diffusion coefficient plastic_disloUCLA_D0, & !< prefactor for self-diffusion coefficient
plastic_disloUCLA_Qsd, & !< activation energy for dislocation climb plastic_disloUCLA_Qsd, & !< activation energy for dislocation climb
plastic_disloUCLA_GrainSize, & !< grain size
plastic_disloUCLA_CEdgeDipMinDistance, & !< plastic_disloUCLA_CEdgeDipMinDistance, & !<
plastic_disloUCLA_SolidSolutionStrength, & !< Strength due to elements in solid solution plastic_disloUCLA_SolidSolutionStrength, & !< Strength due to elements in solid solution
plastic_disloUCLA_dipoleFormationFactor !< scaling factor for dipole formation: 0: off, 1: on. other values not useful plastic_disloUCLA_dipoleFormationFactor !< scaling factor for dipole formation: 0: off, 1: on. other values not useful
@ -47,7 +46,6 @@ module plastic_disloUCLA
real(pReal), dimension(:,:), allocatable, private :: & real(pReal), dimension(:,:), allocatable, private :: &
plastic_disloUCLA_v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance plastic_disloUCLA_v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance
plastic_disloUCLA_v0PerSlipSystem, & !< dislocation velocity prefactor [m/s] for each slip system and instance plastic_disloUCLA_v0PerSlipSystem, & !< dislocation velocity prefactor [m/s] for each slip system and instance
plastic_disloUCLA_tau_peierlsPerSlipFamily, & !< Peierls stress [Pa] for each family and instance
plastic_disloUCLA_CLambdaSlipPerSlipFamily, & !< Adj. parameter for distance between 2 forest dislocations for each slip family and instance plastic_disloUCLA_CLambdaSlipPerSlipFamily, & !< Adj. parameter for distance between 2 forest dislocations for each slip family and instance
plastic_disloUCLA_CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance plastic_disloUCLA_CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance
plastic_disloUCLA_interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance plastic_disloUCLA_interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance
@ -73,7 +71,8 @@ module plastic_disloUCLA
type, private :: tParameters type, private :: tParameters
real(pReal) :: & real(pReal) :: &
aTolRho aTolRho, &
grainSize
real(pReal), allocatable, dimension(:) :: & real(pReal), allocatable, dimension(:) :: &
rho0, & !< initial edge dislocation density per slip system for each family and instance rho0, & !< initial edge dislocation density per slip system for each family and instance
rhoDip0, & !< initial edge dipole density per slip system for each family and instance rhoDip0, & !< initial edge dipole density per slip system for each family and instance
@ -89,7 +88,7 @@ module plastic_disloUCLA
omega, & !< attempt frequency for kink pair nucleation omega, & !< attempt frequency for kink pair nucleation
viscosity, & !< friction coeff. B (kMC) viscosity, & !< friction coeff. B (kMC)
!* !*
tauPeierls, & tau_Peierls, &
nonSchmidCoeff nonSchmidCoeff
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
interaction_SlipSlip !< slip resistance from slip activity interaction_SlipSlip !< slip resistance from slip activity
@ -237,14 +236,11 @@ material_allocatePlasticState
allocate(plastic_disloUCLA_CAtomicVolume(maxNinstance), source=0.0_pReal) allocate(plastic_disloUCLA_CAtomicVolume(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_D0(maxNinstance), source=0.0_pReal) allocate(plastic_disloUCLA_D0(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_Qsd(maxNinstance), source=0.0_pReal) allocate(plastic_disloUCLA_Qsd(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_GrainSize(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_CEdgeDipMinDistance(maxNinstance), source=0.0_pReal) allocate(plastic_disloUCLA_CEdgeDipMinDistance(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_SolidSolutionStrength(maxNinstance), source=0.0_pReal) allocate(plastic_disloUCLA_SolidSolutionStrength(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default allocate(plastic_disloUCLA_dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default
allocate(plastic_disloUCLA_friction(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(plastic_disloUCLA_friction(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(plastic_disloUCLA_v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_tau_peierlsPerSlipFamily(lattice_maxNslipFamily,maxNinstance), &
source=0.0_pReal)
allocate(plastic_disloUCLA_CLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & allocate(plastic_disloUCLA_CLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance), &
source=0.0_pReal) source=0.0_pReal)
@ -292,7 +288,7 @@ do p = 1_pInt, size(phase_plasticityInstance)
prm%H0kp = config_phase(p)%getFloats('qedge') prm%H0kp = config_phase(p)%getFloats('qedge')
!prm%v0 = config_phase(p)%getFloats('v0') !prm%v0 = config_phase(p)%getFloats('v0')
!prm%clambda = config_phase(p)%getFloats('clambda') !prm%clambda = config_phase(p)%getFloats('clambda')
!prm%tauPeierls = config_phase(p)%getFloats('peierls_stress') prm%tau_Peierls = config_phase(p)%getFloats('tau_peierls')
prm%p = config_phase(p)%getFloats('p_slip',defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) prm%p = config_phase(p)%getFloats('p_slip',defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%q = config_phase(p)%getFloats('q_slip',defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) prm%q = config_phase(p)%getFloats('q_slip',defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%kink_height = config_phase(p)%getFloats('kink_height') prm%kink_height = config_phase(p)%getFloats('kink_height')
@ -301,6 +297,9 @@ do p = 1_pInt, size(phase_plasticityInstance)
!prm%viscosity = config_phase(p)%getFloats('viscosity') !prm%viscosity = config_phase(p)%getFloats('viscosity')
prm%grainSize = config_phase(p)%getFloat('grainsize')
! expand: family => system ! expand: family => system
prm%rho0 = math_expand(prm%rho0, prm%Nslip) prm%rho0 = math_expand(prm%rho0, prm%Nslip)
prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip) prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip)
@ -311,6 +310,7 @@ do p = 1_pInt, size(phase_plasticityInstance)
prm%kink_height = math_expand(prm%kink_height, prm%Nslip) prm%kink_height = math_expand(prm%kink_height, prm%Nslip)
prm%kink_width = math_expand(prm%kink_width, prm%Nslip) prm%kink_width = math_expand(prm%kink_width, prm%Nslip)
prm%omega = math_expand(prm%omega, prm%Nslip) prm%omega = math_expand(prm%omega, prm%Nslip)
prm%tau_Peierls = math_expand(prm%tau_Peierls, prm%Nslip)
endif slipActive endif slipActive
@ -414,10 +414,6 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
plastic_disloUCLA_v0PerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) plastic_disloUCLA_v0PerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies)
case ('clambdaslip') case ('clambdaslip')
plastic_disloUCLA_CLambdaSlipPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) plastic_disloUCLA_CLambdaSlipPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies)
case ('tau_peierls')
if (lattice_structure(phase) /= LATTICE_bcc_ID) &
call IO_warning(42_pInt,ext_msg=trim(tag)//' for non-bcc ('//PLASTICITY_DISLOUCLA_label//')')
plastic_disloUCLA_tau_peierlsPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies)
case ('friction_coeff') case ('friction_coeff')
plastic_disloUCLA_friction(1:Nchunks_SlipFamilies,instance) = & plastic_disloUCLA_friction(1:Nchunks_SlipFamilies,instance) = &
tempPerSlip(1:Nchunks_SlipFamilies) tempPerSlip(1:Nchunks_SlipFamilies)
@ -433,8 +429,6 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! parameters independent of number of slip systems ! parameters independent of number of slip systems
case ('grainsize')
plastic_disloUCLA_GrainSize(instance) = IO_floatValue(line,chunkPos,2_pInt)
case ('d0') case ('d0')
plastic_disloUCLA_D0(instance) = IO_floatValue(line,chunkPos,2_pInt) plastic_disloUCLA_D0(instance) = IO_floatValue(line,chunkPos,2_pInt)
case ('qsd') case ('qsd')
@ -466,8 +460,8 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOUCLA_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOUCLA_label//')')
if (plastic_disloUCLA_v0PerSlipFamily(f,instance) <= 0.0_pReal) & if (plastic_disloUCLA_v0PerSlipFamily(f,instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOUCLA_label//')') call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOUCLA_label//')')
if (plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) & !if (plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOUCLA_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOUCLA_label//')')
endif endif
enddo enddo
if (plastic_disloUCLA_CAtomicVolume(instance) <= 0.0_pReal) & if (plastic_disloUCLA_CAtomicVolume(instance) <= 0.0_pReal) &
@ -637,7 +631,7 @@ subroutine plastic_disloUCLA_stateInit(ph,instance)
forall (i = 1_pInt:ns) & forall (i = 1_pInt:ns) &
MeanFreePathSlip0(i) = & MeanFreePathSlip0(i) = &
plastic_disloUCLA_GrainSize(instance)/(1.0_pReal+invLambdaSlip0(i)*plastic_disloUCLA_GrainSize(instance)) prm%grainSize/(1.0_pReal+invLambdaSlip0(i)*prm%grainSize)
tempState(3_pInt*ns+1:4_pInt*ns) = MeanFreePathSlip0 tempState(3_pInt*ns+1:4_pInt*ns) = MeanFreePathSlip0
forall (i = 1_pInt:ns) & forall (i = 1_pInt:ns) &
@ -685,6 +679,8 @@ subroutine plastic_disloUCLA_microstructure(temperature,ipc,ip,el)
ph = phaseAt(ipc,ip,el) ph = phaseAt(ipc,ip,el)
instance = phase_plasticityInstance(ph) instance = phase_plasticityInstance(ph)
ns = plastic_disloUCLA_totalNslip(instance) ns = plastic_disloUCLA_totalNslip(instance)
associate(prm => param(instance), stt => state(instance)) associate(prm => param(instance), stt => state(instance))
!* 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:ns) & forall (s = 1_pInt:ns) &
@ -696,8 +692,8 @@ subroutine plastic_disloUCLA_microstructure(temperature,ipc,ip,el)
!* mean free path between 2 obstacles seen by a moving dislocation !* mean free path between 2 obstacles seen by a moving dislocation
do s = 1_pInt,ns do s = 1_pInt,ns
stt%mfp_slip(s,of) = & stt%mfp_slip(s,of) = &
plastic_disloUCLA_GrainSize(instance)/& prm%grainSize/&
(1.0_pReal+plastic_disloUCLA_GrainSize(instance)*(invLambdaSlip(s))) (1.0_pReal+prm%grainSize*(invLambdaSlip(s)))
enddo enddo
!* threshold stress for dislocation motion !* threshold stress for dislocation motion
@ -707,6 +703,8 @@ subroutine plastic_disloUCLA_microstructure(temperature,ipc,ip,el)
sqrt(dot_product((stt%rhoEdge(1_pInt:ns,of)+stt%rhoEdgeDip(1_pInt:ns,of)),& sqrt(dot_product((stt%rhoEdge(1_pInt:ns,of)+stt%rhoEdgeDip(1_pInt:ns,of)),&
plastic_disloUCLA_interactionMatrix_SlipSlip(s,1:ns,instance))) plastic_disloUCLA_interactionMatrix_SlipSlip(s,1:ns,instance)))
end associate end associate
end subroutine plastic_disloUCLA_microstructure end subroutine plastic_disloUCLA_microstructure
@ -1080,7 +1078,7 @@ ph, instance,of
!* Stress ratio !* Stress ratio
stressRatio = ((abs(tau_slip_pos(j))-stt%threshold_stress_slip(j, of))/& stressRatio = ((abs(tau_slip_pos(j))-stt%threshold_stress_slip(j, of))/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+& (plastic_disloUCLA_SolidSolutionStrength(instance)+&
plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance))) prm%tau_Peierls(j)))
stressRatio_p = stressRatio** prm%p(j) stressRatio_p = stressRatio** prm%p(j)
stressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) stressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal)
!* Shear rates due to slip !* Shear rates due to slip
@ -1111,7 +1109,7 @@ ph, instance,of
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i) * (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i)
*BoltzmannRatio*prm%p(j)& *BoltzmannRatio*prm%p(j)&
*prm%q(j)/& *prm%q(j)/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance))*& (plastic_disloUCLA_SolidSolutionStrength(instance)+prm%tau_Peierls(j))*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) ) &!deltaf(f) StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) ) &!deltaf(f)
) & ) &
* (2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_pos(j) & * (2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_pos(j) &
@ -1127,7 +1125,7 @@ ph, instance,of
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i) * (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i)
*BoltzmannRatio*prm%p(j)& *BoltzmannRatio*prm%p(j)&
*prm%q(j)/& *prm%q(j)/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance))*& (plastic_disloUCLA_SolidSolutionStrength(instance)+prm%tau_Peierls(j))*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) )& !deltaf(f) StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) )& !deltaf(f)
) & ) &
) & ) &
@ -1147,7 +1145,7 @@ ph, instance,of
!* Stress ratios !* Stress ratios
stressRatio = ((abs(tau_slip_neg(j))-stt%threshold_stress_slip(j, of))/& stressRatio = ((abs(tau_slip_neg(j))-stt%threshold_stress_slip(j, of))/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+& (plastic_disloUCLA_SolidSolutionStrength(instance)+&
plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance))) prm%tau_Peierls(j)))
stressRatio_p = stressRatio** prm%p(j) stressRatio_p = stressRatio** prm%p(j)
stressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) stressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal)
!* Shear rates due to slip !* Shear rates due to slip
@ -1177,7 +1175,7 @@ ph, instance,of
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i) * (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i)
*BoltzmannRatio*prm%p(j)& *BoltzmannRatio*prm%p(j)&
*prm%q(j)/& *prm%q(j)/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance))*& (plastic_disloUCLA_SolidSolutionStrength(instance)+prm%tau_Peierls(j))*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) ) &!deltaf(f) StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) ) &!deltaf(f)
) & ) &
* (2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_neg(j) & * (2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_neg(j) &
@ -1193,7 +1191,7 @@ ph, instance,of
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i) * (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i)
*BoltzmannRatio*prm%p(j)& *BoltzmannRatio*prm%p(j)&
*prm%q(j)/& *prm%q(j)/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance))*& (plastic_disloUCLA_SolidSolutionStrength(instance)+prm%tau_Peierls(j))*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) )& !deltaf(f) StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) )& !deltaf(f)
) & ) &
) & ) &