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further simplifications

This commit is contained in:
Martin Diehl 2018-11-29 10:31:02 +01:00
parent bbddb2558c
commit 39c1df7542
1 changed files with 28 additions and 78 deletions
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106
src/plastic_disloUCLA.f90
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@ -40,20 +40,15 @@ module plastic_disloUCLA
plastic_disloUCLA_D0, & !< prefactor for self-diffusion coefficient
plastic_disloUCLA_Qsd, & !< activation energy for dislocation climb
plastic_disloUCLA_CEdgeDipMinDistance, & !<
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
real(pReal), dimension(:,:), allocatable, private :: &
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_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_interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance
!* mobility law parameters
plastic_disloUCLA_friction !< friction coeff. B (kMC)
real(pReal), dimension(:,:,:), allocatable, private :: &
plastic_disloUCLA_interactionMatrix_SlipSlip, & !< interaction matrix of the different slip systems for each instance
plastic_disloUCLA_forestProjectionEdge !< matrix of forest projections of edge dislocations for each instance
enum, bind(c)
@ -72,7 +67,8 @@ module plastic_disloUCLA
type, private :: tParameters
real(pReal) :: &
aTolRho, &
grainSize
grainSize, &
SolidSolutionStrength !< Strength due to elements in solid solution
real(pReal), allocatable, dimension(:) :: &
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
@ -198,7 +194,7 @@ material_allocatePlasticState
Nchunks_SlipFamilies = 0_pInt,Nchunks_nonSchmid = 0_pInt, &
offset_slip, index_myFamily, index_otherFamily, &
startIndex, endIndex, p
integer(pInt) :: sizeState, sizeDotState, sizeDeltaState
integer(pInt) :: sizeState, sizeDotState
integer(pInt) :: NofMyPhase
character(len=65536) :: &
structure = '',&
@ -235,16 +231,12 @@ material_allocatePlasticState
allocate(plastic_disloUCLA_D0(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_Qsd(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_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_v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_CLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance), &
source=0.0_pReal)
allocate(plastic_disloUCLA_interaction_SlipSlip(lattice_maxNinteraction,maxNinstance),source=0.0_pReal)
allocate(param(maxNinstance))
allocate(state(maxNinstance))
@ -284,7 +276,7 @@ do p = 1_pInt, size(phase_plasticityInstance)
prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0')
prm%burgers = config_phase(p)%getFloats('slipburgers')
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%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))])
@ -295,8 +287,15 @@ do p = 1_pInt, size(phase_plasticityInstance)
!prm%viscosity = config_phase(p)%getFloats('viscosity')
prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength')
prm%grainSize = config_phase(p)%getFloat('grainsize')
plastic_disloUCLA_D0(phase_plasticityInstance(p)) = config_phase(p)%getFloat('qsd')
plastic_disloUCLA_Qsd(phase_plasticityInstance(p)) = config_phase(p)%getFloat('qsd')
plastic_disloUCLA_CEdgeDipMinDistance(phase_plasticityInstance(p)) = config_phase(p)%getFloat('cedgedipmindistance')
plastic_disloUCLA_CAtomicVolume(phase_plasticityInstance(p)) = config_phase(p)%getFloat('catomicvolume')
plastic_disloUCLA_dipoleFormationFactor(phase_plasticityInstance(p)) = config_phase(p)%getFloat('dipoleformationfactor')
! expand: family => system
prm%rho0 = math_expand(prm%rho0, prm%Nslip)
@ -309,6 +308,7 @@ do p = 1_pInt, size(phase_plasticityInstance)
prm%kink_width = math_expand(prm%kink_width, prm%Nslip)
prm%omega = math_expand(prm%omega, prm%Nslip)
prm%tau_Peierls = math_expand(prm%tau_Peierls, prm%Nslip)
prm%v0 = math_expand(prm%v0, prm%Nslip)
endif slipActive
@ -379,7 +379,6 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
phase = phase + 1_pInt ! advance phase section counter
if (phase_plasticity(phase) == PLASTICITY_DISLOUCLA_ID) then
Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt)
Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase))
Nchunks_nonSchmid = lattice_NnonSchmid(phase)
if(allocated(tempPerSlip)) deallocate(tempPerSlip)
allocate(tempPerSlip(Nchunks_SlipFamilies))
@ -402,43 +401,17 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
do j = 1_pInt, Nchunks_SlipFamilies
plastic_disloUCLA_Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j)
enddo
case ('rhoedge0','rhoedgedip0','slipburgers','qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip',&
'kink_height','omega','kink_width','dislolength','friction_coeff')
case ('clambdaslip','friction_coeff')
do j = 1_pInt, Nchunks_SlipFamilies
tempPerSlip(j) = IO_floatValue(line,chunkPos,1_pInt+j)
enddo
select case(tag)
case ('v0')
plastic_disloUCLA_v0PerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies)
case ('clambdaslip')
plastic_disloUCLA_CLambdaSlipPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies)
case ('friction_coeff')
plastic_disloUCLA_friction(1:Nchunks_SlipFamilies,instance) = &
tempPerSlip(1:Nchunks_SlipFamilies)
end select
!--------------------------------------------------------------------------------------------------
! parameters depending on number of interactions
case ('interaction_slipslip','interactionslipslip')
if (chunkPos(1) < 1_pInt + Nchunks_SlipSlip) &
call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOUCLA_label//')')
do j = 1_pInt, Nchunks_SlipSlip
plastic_disloUCLA_interaction_SlipSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j)
enddo
!--------------------------------------------------------------------------------------------------
! parameters independent of number of slip systems
case ('d0')
plastic_disloUCLA_D0(instance) = IO_floatValue(line,chunkPos,2_pInt)
case ('qsd')
plastic_disloUCLA_Qsd(instance) = IO_floatValue(line,chunkPos,2_pInt)
case ('solidsolutionstrength')
plastic_disloUCLA_SolidSolutionStrength(instance) = IO_floatValue(line,chunkPos,2_pInt)
case ('cedgedipmindistance')
plastic_disloUCLA_CEdgeDipMinDistance(instance) = IO_floatValue(line,chunkPos,2_pInt)
case ('catomicvolume')
plastic_disloUCLA_CAtomicVolume(instance) = IO_floatValue(line,chunkPos,2_pInt)
case ('dipoleformationfactor')
plastic_disloUCLA_dipoleFormationFactor(instance) = IO_floatValue(line,chunkPos,2_pInt)
end select
endif; endif
enddo parsingFile
@ -456,8 +429,8 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
! call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOUCLA_label//')')
!if (plastic_disloUCLA_burgersPerSlipFamily(f,instance) <= 0.0_pReal) &
! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOUCLA_label//')')
if (plastic_disloUCLA_v0PerSlipFamily(f,instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOUCLA_label//')')
!if (plastic_disloUCLA_v0PerSlipFamily(f,instance) <= 0.0_pReal) &
! call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOUCLA_label//')')
!if (plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) &
! call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOUCLA_label//')')
endif
@ -482,12 +455,8 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
! allocation of variables whose size depends on the total number of active slip systems
maxTotalNslip = maxval(plastic_disloUCLA_totalNslip)
allocate(plastic_disloUCLA_v0PerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_CLambdaSlipPerSlipSystem(maxTotalNslip, maxNinstance),source=0.0_pReal)
allocate(plastic_disloUCLA_interactionMatrix_SlipSlip(maxval(plastic_disloUCLA_totalNslip),& ! slip resistance from slip activity
maxval(plastic_disloUCLA_totalNslip),&
maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance), &
source=0.0_pReal)
@ -504,7 +473,6 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
! allocate state arrays
sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * ns
sizeDeltaState = 0_pInt
sizeState = sizeDotState
call material_allocatePlasticState(phase,NofMyPhase,sizeState,sizeDotState,0_pInt, &
@ -524,26 +492,16 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
mySlipSystems: do j = 1_pInt,plastic_disloUCLA_Nslip(f,instance)
plastic_disloUCLA_v0PerSlipSystem(index_myFamily+j,instance) = &
plastic_disloUCLA_v0PerSlipFamily(f,instance)
plastic_disloUCLA_CLambdaSlipPerSlipSystem(index_myFamily+j,instance) = &
plastic_disloUCLA_CLambdaSlipPerSlipFamily(f,instance)
!* Calculation of forest projections for edge dislocations
!* Interaction matrices
otherSlipFamilies: do o = 1_pInt,lattice_maxNslipFamily
index_otherFamily = sum(plastic_disloUCLA_Nslip(1:o-1_pInt,instance))
otherSlipSystems: do k = 1_pInt,plastic_disloUCLA_Nslip(o,instance)
plastic_disloUCLA_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = &
abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,phase))+j,phase), &
lattice_st(:,sum(lattice_NslipSystem(1:o-1,phase))+k,phase)))
plastic_disloUCLA_interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = &
plastic_disloUCLA_interaction_SlipSlip(lattice_interactionSlipSlip( &
sum(lattice_NslipSystem(1:f-1,phase))+j, &
sum(lattice_NslipSystem(1:o-1,phase))+k, &
phase), instance )
enddo otherSlipSystems; enddo otherSlipFamilies
enddo mySlipSystems
@ -573,7 +531,6 @@ plastic_disloUCLA_Noutput(phase_plasticityInstance(p)) = plastic_disloUCLA_Noutp
allocate(mse%mfp(prm%totalNslip,NofMyPhase),source=0.0_pReal)
allocate(mse%threshold_stress(prm%totalNslip,NofMyPhase),source=0.0_pReal)
!call plastic_disloUCLA_stateInit(phase,instance)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
end associate
@ -628,18 +585,15 @@ subroutine plastic_disloUCLA_microstructure(temperature,ipc,ip,el)
plastic_disloUCLA_CLambdaSlipPerSlipSystem(s,instance)
!* mean free path between 2 obstacles seen by a moving dislocation
do s = 1_pInt,ns
mse%mfp(s,of) = &
prm%grainSize/&
(1.0_pReal+prm%grainSize*(invLambdaSlip(s)))
enddo
mse%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*invLambdaSlip)
!* threshold stress for dislocation motion
forall (s = 1_pInt:ns) &
mse%threshold_stress(s,of) = &
lattice_mu(ph)*prm%burgers(s)*&
sqrt(dot_product((stt%rhoEdge(1_pInt:ns,of)+stt%rhoEdgeDip(1_pInt:ns,of)),&
plastic_disloUCLA_interactionMatrix_SlipSlip(s,1:ns,instance)))
sqrt(dot_product(stt%rhoEdge(1_pInt:ns,of)+stt%rhoEdgeDip(1_pInt:ns,of),&
prm%interaction_SlipSlip(s,1:ns)))
end associate
@ -910,8 +864,7 @@ math_mul33xx33
stt%accshear_slip(1_pInt:ns, of)
c = c + ns
case (mfp_ID)
postResults(c+1_pInt:c+ns) =&
mse%mfp(1_pInt:ns, of)
postResults(c+1_pInt:c+ns) = mse%mfp(1_pInt:ns, of)
c = c + ns
case (resolvedstress_ID)
j = 0_pInt
@ -924,8 +877,7 @@ math_mul33xx33
enddo slipSystems1; enddo slipFamilies1
c = c + ns
case (thresholdstress_ID)
postResults(c+1_pInt:c+ns) = &
mse%threshold_stress(1_pInt:ns,of)
postResults(c+1_pInt:c+ns) = mse%threshold_stress(1_pInt:ns,of)
c = c + ns
case (dipoleDistance_ID)
j = 0_pInt
@ -998,9 +950,7 @@ ph, instance,of
!* Boltzmann ratio
BoltzmannRatio = prm%H0kp(j)/(kB*Temperature)
!* Initial shear rates
DotGamma0 = &
stt%rhoEdge(j,of)*prm%burgers(j)*&
plastic_disloUCLA_v0PerSlipSystem(j,instance)
DotGamma0 = stt%rhoEdge(j,of)*prm%burgers(j)*prm%v0(j)
!* Resolved shear stress on slip system
tau_slip_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
tau_slip_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j))
@ -1008,7 +958,7 @@ ph, instance,of
significantPositiveTau: if((abs(tau_slip_pos(j))-mse%threshold_stress(j, of)) > tol_math_check) then
!* Stress ratio
stressRatio = ((abs(tau_slip_pos(j))-mse%threshold_stress(j, of))/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+&
(prm%solidSolutionStrength+&
prm%tau_Peierls(j)))
stressRatio_p = stressRatio** prm%p(j)
stressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal)
@ -1040,7 +990,7 @@ ph, instance,of
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i)
*BoltzmannRatio*prm%p(j)&
*prm%q(j)/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+prm%tau_Peierls(j))*&
(prm%solidSolutionStrength+prm%tau_Peierls(j))*&
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) &
@ -1056,7 +1006,7 @@ ph, instance,of
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i)
*BoltzmannRatio*prm%p(j)&
*prm%q(j)/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+prm%tau_Peierls(j))*&
(prm%solidSolutionStrength+prm%tau_Peierls(j))*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) )& !deltaf(f)
) &
) &
@ -1075,7 +1025,7 @@ ph, instance,of
significantNegativeTau: if((abs(tau_slip_neg(j))-mse%threshold_stress(j, of)) > tol_math_check) then
!* Stress ratios
stressRatio = ((abs(tau_slip_neg(j))-mse%threshold_stress(j, of))/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+&
(prm%solidSolutionStrength+&
prm%tau_Peierls(j)))
stressRatio_p = stressRatio** prm%p(j)
stressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal)
@ -1106,7 +1056,7 @@ ph, instance,of
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i)
*BoltzmannRatio*prm%p(j)&
*prm%q(j)/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+prm%tau_Peierls(j))*&
(prm%solidSolutionStrength+prm%tau_Peierls(j))*&
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) &
@ -1122,7 +1072,7 @@ ph, instance,of
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& !deltaf(i)
*BoltzmannRatio*prm%p(j)&
*prm%q(j)/&
(plastic_disloUCLA_SolidSolutionStrength(instance)+prm%tau_Peierls(j))*&
(prm%solidSolutionStrength+prm%tau_Peierls(j))*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) )& !deltaf(f)
) &
) &