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simplified

This commit is contained in:
Martin Diehl 2018-12-04 00:06:46 +01:00
parent 49b5271ca4
commit e604a3d9cc
1 changed files with 61 additions and 68 deletions
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129
src/plastic_disloUCLA.f90
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@ -25,10 +25,6 @@ module plastic_disloUCLA
integer(pInt), dimension(:), allocatable, private :: & integer(pInt), dimension(:), allocatable, private :: &
plastic_disloUCLA_totalNslip !< total number of active slip systems for each instance plastic_disloUCLA_totalNslip !< total number of active slip systems for each instance
integer(pInt), dimension(:,:), allocatable, private :: &
plastic_disloUCLA_Nslip !< number of active slip systems for each family and instance
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
plastic_disloUCLA_CAtomicVolume, & !< atomic volume in Bugers vector unit plastic_disloUCLA_CAtomicVolume, & !< atomic volume in Bugers vector unit
plastic_disloUCLA_Qsd, & !< activation energy for dislocation climb plastic_disloUCLA_Qsd, & !< activation energy for dislocation climb
@ -76,7 +72,9 @@ module plastic_disloUCLA
viscosity, & !< friction coeff. B (kMC) viscosity, & !< friction coeff. B (kMC)
!* !*
tau_Peierls, & tau_Peierls, &
nonSchmidCoeff nonSchmidCoeff, &
atomicVolume, &
minDipDistance
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
interaction_SlipSlip !< slip resistance from slip activity interaction_SlipSlip !< slip resistance from slip activity
real(pReal), allocatable, dimension(:,:,:) :: & real(pReal), allocatable, dimension(:,:,:) :: &
@ -90,6 +88,8 @@ module plastic_disloUCLA
Nslip !< number of active slip systems for each family Nslip !< number of active slip systems for each family
integer(kind(undefined_ID)), allocatable, dimension(:) :: & integer(kind(undefined_ID)), allocatable, dimension(:) :: &
outputID !< ID of each post result output outputID !< ID of each post result output
logical :: &
dipoleformation
end type !< container type for internal constitutive parameters end type !< container type for internal constitutive parameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
@ -168,7 +168,7 @@ material_allocatePlasticState
integer(pInt), intent(in) :: fileUnit integer(pInt), intent(in) :: fileUnit
integer(pInt) :: maxNinstance,phase,maxTotalNslip,& integer(pInt) :: maxNinstance,phase,maxTotalNslip,&
f,instance,j,k,o,ns, i, & f,instance,j,k,o, i, &
outputSize, & outputSize, &
offset_slip, index_myFamily, index_otherFamily, & offset_slip, index_myFamily, index_otherFamily, &
startIndex, endIndex, p startIndex, endIndex, p
@ -199,12 +199,13 @@ material_allocatePlasticState
plastic_disloUCLA_output = '' plastic_disloUCLA_output = ''
allocate(plastic_disloUCLA_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt)
allocate(plastic_disloUCLA_totalNslip(maxNinstance), source=0_pInt) allocate(plastic_disloUCLA_totalNslip(maxNinstance), source=0_pInt)
allocate(plastic_disloUCLA_CAtomicVolume(maxNinstance), source=0.0_pReal) allocate(plastic_disloUCLA_CAtomicVolume(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_CEdgeDipMinDistance(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_CEdgeDipMinDistance(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(param(maxNinstance)) allocate(param(maxNinstance))
@ -217,7 +218,8 @@ do p = 1_pInt, size(phase_plasticityInstance)
if (phase_plasticity(p) /= PLASTICITY_DISLOUCLA_ID) cycle if (phase_plasticity(p) /= PLASTICITY_DISLOUCLA_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), & associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), & dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p))) stt => state(phase_plasticityInstance(p)), &
mse => microstructure(phase_plasticityInstance(p)))
structure = config_phase(p)%getString('lattice_structure') structure = config_phase(p)%getString('lattice_structure')
prm%mu = lattice_mu(p) prm%mu = lattice_mu(p)
@ -302,9 +304,6 @@ do p = 1_pInt, size(phase_plasticityInstance)
endif slipActive endif slipActive
!--------------------------------------------------------------------------------------------------
! phase outputs
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
outputs = ['GfortranBug86277'] outputs = ['GfortranBug86277']
outputs = config_phase(p)%getStrings('(output)',defaultVal=outputs) outputs = config_phase(p)%getStrings('(output)',defaultVal=outputs)
@ -345,8 +344,7 @@ do p = 1_pInt, size(phase_plasticityInstance)
endif endif
enddo enddo
end associate
enddo
@ -361,31 +359,18 @@ do p = 1_pInt, size(phase_plasticityInstance)
!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//')')
phase = p
!--------------------------------------------------------------------------------------------------
! allocation of variables whose size depends on the total number of active slip systems
maxTotalNslip = maxval(plastic_disloUCLA_totalNslip)
allocate(plastic_disloUCLA_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance), &
source=0.0_pReal)
initializeInstances: do phase = 1_pInt, size(phase_plasticity)
myPhase2: if (phase_plasticity(phase) == PLASTICITY_disloUCLA_ID) then
p = phase
NofMyPhase=count(material_phase==phase) NofMyPhase=count(material_phase==phase)
instance = phase_plasticityInstance(phase) instance = phase_plasticityInstance(phase)
ns = plastic_disloUCLA_totalNslip(instance)
associate(prm => param(instance), stt=>state(instance),mse => microstructure(phase_plasticityInstance(p)))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate state arrays ! allocate state arrays
sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * ns sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * prm%totalNslip
sizeState = sizeDotState sizeState = sizeDotState
call material_allocatePlasticState(phase,NofMyPhase,sizeState,sizeDotState,0_pInt, & call material_allocatePlasticState(phase,NofMyPhase,sizeState,sizeDotState,0_pInt, &
ns,0_pInt,0_pInt) prm%totalNslip,0_pInt,0_pInt)
plasticState(phase)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p))) plasticState(phase)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p)))
@ -394,40 +379,23 @@ do p = 1_pInt, size(phase_plasticityInstance)
plasticState(phase)%dotState(offset_slip+1:offset_slip+plasticState(phase)%nSlip,1:NofMyPhase) plasticState(phase)%dotState(offset_slip+1:offset_slip+plasticState(phase)%nSlip,1:NofMyPhase)
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)
!* Process slip related parameters ------------------------------------------------
mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1)
index_myFamily = sum(prm%Nslip(1:f-1_pInt)) ! index in truncated slip system list
mySlipSystems: do j = 1_pInt,prm%Nslip(f)
!* Calculation of forest projections for edge dislocations
otherSlipFamilies: do o = 1_pInt,size(prm%Nslip,1)
index_otherFamily = sum(prm%Nslip(1:o-1_pInt))
otherSlipSystems: do k = 1_pInt,prm%Nslip(o)
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)))
enddo otherSlipSystems; enddo otherSlipFamilies
enddo mySlipSystems
enddo mySlipFamilies
startIndex=1_pInt startIndex=1_pInt
endIndex=ns endIndex=prm%totalNslip
stt%rhoEdge=>plasticState(phase)%state(startIndex:endIndex,:) stt%rhoEdge=>plasticState(phase)%state(startIndex:endIndex,:)
stt%rhoEdge= spread(prm%rho0,2,NofMyPhase) stt%rhoEdge= spread(prm%rho0,2,NofMyPhase)
dotState(instance)%rhoEdge=>plasticState(phase)%dotState(startIndex:endIndex,:) dotState(instance)%rhoEdge=>plasticState(phase)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
startIndex=endIndex+1_pInt startIndex=endIndex+1_pInt
endIndex=endIndex+ns endIndex=endIndex+prm%totalNslip
stt%rhoEdgeDip=>plasticState(phase)%state(startIndex:endIndex,:) stt%rhoEdgeDip=>plasticState(phase)%state(startIndex:endIndex,:)
stt%rhoEdgeDip= spread(prm%rhoDip0,2,NofMyPhase) stt%rhoEdgeDip= spread(prm%rhoDip0,2,NofMyPhase)
dotState(instance)%rhoEdgeDip=>plasticState(phase)%dotState(startIndex:endIndex,:) dotState(instance)%rhoEdgeDip=>plasticState(phase)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
startIndex=endIndex+1_pInt startIndex=endIndex+1_pInt
endIndex=endIndex+ns endIndex=endIndex+prm%totalNslip
stt%accshear_slip=>plasticState(phase)%state(startIndex:endIndex,:) stt%accshear_slip=>plasticState(phase)%state(startIndex:endIndex,:)
dotState(instance)%accshear_slip=>plasticState(phase)%dotState(startIndex:endIndex,:) dotState(instance)%accshear_slip=>plasticState(phase)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal
@ -441,9 +409,39 @@ do p = 1_pInt, size(phase_plasticityInstance)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
end associate end associate
endif myPhase2
enddo initializeInstances enddo
allocate(plastic_disloUCLA_forestProjectionEdge(maxval(plastic_disloUCLA_totalNslip),&
maxval(plastic_disloUCLA_totalNslip),maxNinstance), &
source=0.0_pReal)
do p = 1_pInt, size(phase_plasticityInstance)
if (phase_plasticity(p) /= PLASTICITY_DISLOUCLA_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), &
mse => microstructure(phase_plasticityInstance(p)))
mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1)
index_myFamily = sum(prm%Nslip(1:f-1_pInt)) ! index in truncated slip system list
mySlipSystems: do j = 1_pInt,prm%Nslip(f)
!* Calculation of forest projections for edge dislocations
otherSlipFamilies: do o = 1_pInt,size(prm%Nslip,1)
index_otherFamily = sum(prm%Nslip(1:o-1_pInt))
otherSlipSystems: do k = 1_pInt,prm%Nslip(o)
plastic_disloUCLA_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = &
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)))
enddo otherSlipSystems; enddo otherSlipFamilies
enddo mySlipSystems
enddo mySlipFamilies
end associate
enddo
end subroutine plastic_disloUCLA_init end subroutine plastic_disloUCLA_init
@ -572,7 +570,6 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
EdgeDipMinDistance,& EdgeDipMinDistance,&
AtomicVolume,& AtomicVolume,&
VacancyDiffusion,& VacancyDiffusion,&
DotRhoMultiplication,&
EdgeDipDistance, & EdgeDipDistance, &
DotRhoEdgeDipAnnihilation, & DotRhoEdgeDipAnnihilation, &
DotRhoEdgeEdgeAnnihilation, & DotRhoEdgeEdgeAnnihilation, &
@ -588,22 +585,18 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
ns = plastic_disloUCLA_totalNslip(instance) ns = plastic_disloUCLA_totalNslip(instance)
dotState(instance)%whole(:,of) = 0.0_pReal dotState(instance)%whole(:,of) = 0.0_pReal
associate(prm => param(instance), stt => state(instance),mse => microstructure(instance)) associate(prm => param(instance), stt => state(instance),dot => dotState(instance), mse => microstructure(instance))
!* Dislocation density evolution !* Dislocation density evolution
call kinetics(Mp,Temperature,instance,of, & call kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg) gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg)
dotState(instance)%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg)*0.5_pReal dotState(instance)%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg)*0.5_pReal
do j = 1_pInt, prm%totalNslip do j = 1_pInt, prm%totalNslip
EdgeDipMinDistance = plastic_disloUCLA_CEdgeDipMinDistance(instance)*prm%burgers(j)
AtomicVolume = plastic_disloUCLA_CAtomicVolume(instance)*prm%burgers(j)**(3.0_pReal)
!* Multiplication
DotRhoMultiplication = abs(dotState(instance)%accshear_slip(j,of))/&
(prm%burgers(j)* &
mse%mfp(j,of))
!* Dipole formation !* Dipole formation
EdgeDipMinDistance = &
plastic_disloUCLA_CEdgeDipMinDistance(instance)*prm%burgers(j)
if (dEq0(tau_slip_pos(j))) then if (dEq0(tau_slip_pos(j))) then
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
else else
@ -620,7 +613,7 @@ do j = 1_pInt, prm%totalNslip
!* Spontaneous annihilation of 2 single edge dislocations !* Spontaneous annihilation of 2 single edge dislocations
DotRhoEdgeEdgeAnnihilation = & DotRhoEdgeEdgeAnnihilation = &
((2.0_pReal*EdgeDipMinDistance)/prm%burgers(j))*& ((2.0_pReal*EdgeDipMinDistance)/prm%burgers(j))*&
stt%rhoEdge(j,of)*abs(dotState(instance)%accshear_slip(j,of)) stt%rhoEdge(j,of)*abs(dot%accshear_slip(j,of))
!* Spontaneous annihilation of a single edge dislocation with a dipole constituent !* Spontaneous annihilation of a single edge dislocation with a dipole constituent
DotRhoEdgeDipAnnihilation = & DotRhoEdgeDipAnnihilation = &
@ -628,8 +621,6 @@ do j = 1_pInt, prm%totalNslip
stt%rhoEdgeDip(j,of)*abs(dotState(instance)%accshear_slip(j,of)) stt%rhoEdgeDip(j,of)*abs(dotState(instance)%accshear_slip(j,of))
!* Dislocation dipole climb !* Dislocation dipole climb
AtomicVolume = &
plastic_disloUCLA_CAtomicVolume(instance)*prm%burgers(j)**(3.0_pReal)
VacancyDiffusion = prm%D0*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature)) VacancyDiffusion = prm%D0*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature))
if (dEq0(tau_slip_pos(j))) then if (dEq0(tau_slip_pos(j))) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
@ -642,12 +633,14 @@ do j = 1_pInt, prm%totalNslip
endif endif
!* Edge dislocation density rate of change !* Edge dislocation density rate of change
dotState(instance)%rhoEdge(j,of) = & dot%rhoEdge(j,of) = abs(dot%accshear_slip(j,of))/(prm%burgers(j)*mse%mfp(j,of)) & ! multiplication
DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation - DotRhoDipFormation &
- DotRhoEdgeEdgeAnnihilation
!* Edge dislocation dipole density rate of change !* Edge dislocation dipole density rate of change
dotState(instance)%rhoEdgeDip(j,of) = & dot%rhoEdgeDip(j,of) = DotRhoDipFormation &
DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb - DotRhoEdgeDipAnnihilation &
- DotRhoEdgeDipClimb
enddo enddo