transition to param structure
This commit is contained in:
Martin Diehl
parent
d29b37f517
commit
e6e019e48a
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@ -43,7 +43,6 @@ module plastic_nonlocal
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colinearSystem !< colinear system to the active slip system (only valid for fcc!)
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real(pReal), dimension(:), allocatable, private :: &
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atomicVolume, & !< atomic volume
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rhoSglScatter, & !< standard deviation of scatter in initial dislocation density
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rhoSglRandom, &
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rhoSglRandomBinning
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@ -58,13 +57,6 @@ module plastic_nonlocal
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lambda0PerSlipFamily, & !< mean free path prefactor for each family and instance
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lambda0 !< mean free path prefactor for each slip system and instance
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real(pReal), dimension(:,:,:), allocatable, private :: &
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minDipoleHeightPerSlipFamily, & !< minimum stable edge/screw dipole height for each family and instance
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minDipoleHeight, & !< minimum stable edge/screw dipole height for each slip system and instance
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peierlsStressPerSlipFamily, & !< Peierls stress (edge and screw)
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peierlsStress !< Peierls stress (edge and screw)
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real(pReal), dimension(:,:,:,:), allocatable, private :: &
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rhoDotEdgeJogsOutput, &
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sourceProbability
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@ -152,7 +144,10 @@ module plastic_nonlocal
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nu
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real(pReal), dimension(:), allocatable :: &
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minDipoleHeight_edge, & !< minimum stable edge dipole height
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minDipoleHeight_screw, & !< minimum stable screw dipole height
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peierlsstress_edge, &
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peierlsstress_screw, &
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rhoSglEdgePos0, & !< initial edge_pos dislocation density per slip system for each family and instance
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rhoSglEdgeNeg0, & !< initial edge_neg dislocation density per slip system for each family and instance
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rhoSglScrewPos0, & !< initial screw_pos dislocation density per slip system for each family and instance
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@ -163,6 +158,8 @@ module plastic_nonlocal
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burgers !< absolute length of burgers vector [m] for each slip system and instance
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real(pReal), dimension(:,:), allocatable :: &
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minDipoleHeight, & ! edge and screw
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peierlsstress, & ! edge and screw
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interactionSlipSlip ,& !< coefficients for slip-slip interaction for each interaction type and instance
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forestProjection_Edge, & !< matrix of forest projections of edge dislocations for each instance
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forestProjection_Screw !< matrix of forest projections of screw dislocations for each instance
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@ -343,7 +340,6 @@ allocate(Nslip(lattice_maxNslipFamily,maxNinstances), source=0_pInt)
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allocate(slipFamily(lattice_maxNslip,maxNinstances), source=0_pInt)
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allocate(slipSystemLattice(lattice_maxNslip,maxNinstances), source=0_pInt)
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allocate(totalNslip(maxNinstances), source=0_pInt)
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allocate(atomicVolume(maxNinstances), source=0.0_pReal)
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allocate(rhoSglScatter(maxNinstances), source=0.0_pReal)
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allocate(rhoSglRandom(maxNinstances), source=0.0_pReal)
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allocate(rhoSglRandomBinning(maxNinstances), source=1.0_pReal)
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@ -355,8 +351,6 @@ allocate(rhoSglScrewNeg0(lattice_maxNslipFamily,maxNinstances), s
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allocate(rhoDipEdge0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
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allocate(rhoDipScrew0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
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allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNinstances), source=0.0_pReal)
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allocate(minDipoleHeightPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), source=-1.0_pReal)
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allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), source=0.0_pReal)
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rewind(fileUnit)
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@ -418,8 +412,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
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do f = 1_pInt, Nchunks_SlipFamilies
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lambda0PerSlipFamily(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
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enddo
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case('atomicvolume')
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atomicVolume(instance) = IO_floatValue(line,chunkPos,2_pInt)
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case('rhosglscatter')
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rhoSglScatter(instance) = IO_floatValue(line,chunkPos,2_pInt)
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case('rhosglrandom')
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@ -454,8 +446,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
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endif
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enddo
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if (atomicVolume(instance) <= 0.0_pReal) &
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call IO_error(211_pInt,ext_msg='atomicVolume ('//PLASTICITY_NONLOCAL_label//')')
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if (rhoSglScatter(instance) < 0.0_pReal) &
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call IO_error(211_pInt,ext_msg='rhoSglScatter ('//PLASTICITY_NONLOCAL_label//')')
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if (rhoSglRandom(instance) < 0.0_pReal) &
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@ -483,7 +473,6 @@ allocate(iTauF(maxTotalNslip,maxNinstances), source=0_pInt)
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allocate(iTauB(maxTotalNslip,maxNinstances), source=0_pInt)
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allocate(lambda0(maxTotalNslip,maxNinstances), source=0.0_pReal)
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allocate(minDipoleHeight(maxTotalNslip,2,maxNinstances), source=-1.0_pReal)
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allocate(sourceProbability(maxTotalNslip,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), &
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source=2.0_pReal)
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@ -502,7 +491,6 @@ allocate(rhoDotEdgeJogsOutput(maxTotalNslip,homogenization_maxNgrains,theMesh%el
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allocate(compatibility(2,maxTotalNslip,maxTotalNslip,theMesh%elem%nIPneighbors,theMesh%elem%nIPs,theMesh%nElems), &
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source=0.0_pReal)
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allocate(peierlsStress(maxTotalNslip,2,maxNinstances), source=0.0_pReal)
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allocate(colinearSystem(maxTotalNslip,maxNinstances), source=0_pInt)
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initializeInstances: do phase = 1_pInt, size(phase_plasticity)
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@ -627,8 +615,6 @@ allocate(colinearSystem(maxTotalNslip,maxNinstances),
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!*** burgers vector, mean free path prefactor and minimum dipole distance for each slip system
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lambda0(s1,instance) = lambda0PerSlipFamily(f,instance)
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minDipoleHeight(s1,1:2,instance) = minDipoleHeightPerSlipFamily(f,1:2,instance)
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peierlsStress(s1,1:2,instance) = peierlsStressPerSlipFamily(f,1:2,instance)
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do s2 = 1_pInt,ns
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@ -713,10 +699,12 @@ param(instance)%probabilisticMultiplication = .false.
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config%getFloat('c/a',defaultVal=0.0_pReal))
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prm%forestProjection_screw = lattice_forestProjection_screw (prm%Nslip,config%getString('lattice_structure'),&
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config%getFloat('c/a',defaultVal=0.0_pReal))
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minDipoleHeightPerSlipFamily(:,1_pInt,instance) = config_phase(p)%getFloats('minimumdipoleheightedge')!,'ddipminedge')
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minDipoleHeightPerSlipFamily(:,2_pInt,instance) = config_phase(p)%getFloats('minimumdipoleheightscrew')!,'ddipminscrew')
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peierlsStressPerSlipFamily(:,1_pInt,instance) = config_phase(p)%getFloat('peierlsstressedge')!,'peierlsstress_edge')
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peierlsStressPerSlipFamily(:,2_pInt,instance) = config_phase(p)%getFloat('peierlsstressscrew')!,'peierlsstress_screw')
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prm%minDipoleHeight_edge = config_phase(p)%getFloats('minimumdipoleheightedge')!,'ddipminedge')
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prm%minDipoleHeight_screw = config_phase(p)%getFloats('minimumdipoleheightscrew')!,'ddipminscrew')
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prm%peierlsstress_edge = config_phase(p)%getFloats('peierlsstressedge')!,'peierlsstress_edge')
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prm%peierlsstress_screw = config_phase(p)%getFloats('peierlsstressscrew')!,'peierlsstress_screw')
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prm%atomicVolume = config_phase(p)%getFloat('atomicvolume')
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prm%Dsd0 = config_phase(p)%getFloat('selfdiffusionprefactor') !,'dsd0')
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@ -744,6 +732,18 @@ param(instance)%probabilisticMultiplication = .false.
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prm%q = config_phase(p)%getFloat('q')
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prm%minDipoleHeight_edge = math_expand(prm%minDipoleHeight_edge,prm%Nslip)
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prm%minDipoleHeight_screw = math_expand(prm%minDipoleHeight_screw,prm%Nslip)
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allocate(prm%minDipoleHeight(prm%totalNslip,2))
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prm%minDipoleHeight(:,1) = prm%minDipoleHeight_edge
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prm%minDipoleHeight(:,2) = prm%minDipoleHeight_screw
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prm%peierlsstress_edge = math_expand(prm%peierlsstress_edge,prm%Nslip)
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prm%peierlsstress_screw = math_expand(prm%peierlsstress_screw,prm%Nslip)
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allocate(prm%peierlsstress(prm%totalNslip,2))
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prm%peierlsstress(:,1) = prm%peierlsstress_edge
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prm%peierlsstress(:,2) = prm%peierlsstress_screw
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prm%viscosity = config_phase(p)%getFloat('viscosity')!,'glideviscosity')
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prm%fattack = config_phase(p)%getFloat('attackfrequency')!,'fattack')
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@ -787,7 +787,8 @@ extmsg = trim(extmsg)//' surfaceTransmissivity'
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extmsg = trim(extmsg)//' surfaceTransmissivity'
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if ( prm%Dsd0 < 0.0_pReal) extmsg = trim(extmsg)//' Dsd0'
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! if (atomicVolume(instance) <= 0.0_pReal) &
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! call IO_error(211_pInt,ext_msg='atomicVolume ('//PLASTICITY_NONLOCAL_label//')')
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! if (minDipoleHeightPerSlipFamily(f,1,instance) < 0.0_pReal) &
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! call IO_error(211_pInt,ext_msg='minimumDipoleHeightEdge ('//PLASTICITY_NONLOCAL_label//')')
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! if (minDipoleHeightPerSlipFamily(f,2,instance) < 0.0_pReal) &
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@ -1485,7 +1486,7 @@ if (Temperature > 0.0_pReal) then
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jumpWidth_P = prm%burgers(s)
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activationLength_P = prm%doublekinkwidth *prm%burgers(s)
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activationVolume_P = activationLength_P * jumpWidth_P * prm%burgers(s)
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criticalStress_P = peierlsStress(s,c,instance)
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criticalStress_P = prm%peierlsStress(s,c)
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activationEnergy_P = criticalStress_P * activationVolume_P
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tauRel_P = min(1.0_pReal, tauEff / criticalStress_P) ! ensure that the activation probability cannot become greater than one
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tPeierls = 1.0_pReal / prm%fattack &
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@ -1834,7 +1835,7 @@ do s = 1_pInt,prm%totalNslip
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tau(s) = math_mul33xx33(Mp, prm%Schmid(1:3,1:3,s)) + tauBack(s)
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if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
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enddo
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dLower = minDipoleHeight(1:ns,1:2,instance)
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dLower = prm%minDipoleHeight(1:ns,1:2)
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dUpper(1:ns,1) = prm%mu * prm%burgers &
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/ (8.0_pReal * PI * (1.0_pReal - prm%nu) * abs(tau))
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dUpper(1:ns,2) = prm%mu * prm%burgers / (4.0_pReal * PI * abs(tau))
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@ -2108,7 +2109,7 @@ do s = 1_pInt,ns ! loop over slip systems
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if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
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enddo
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dLower = minDipoleHeight(1:ns,1:2,instance)
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dLower = prm%minDipoleHeight(1:ns,1:2)
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dUpper(1:ns,1) = prm%mu * prm%burgers(1:ns) &
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/ (8.0_pReal * pi * (1.0_pReal - prm%nu) * abs(tau))
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dUpper(1:ns,2) = prm%mu * prm%burgers(1:ns) &
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@ -2138,6 +2139,13 @@ if (lattice_structure(ph) == LATTICE_bcc_ID) then
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else ! ALL OTHER STRUCTURES
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if (prm%probabilisticMultiplication) then
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!#################################################################################################
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!#################################################################################################
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! ToDo: MD: to me, this whole procedure looks extremly time step and integrator dependent
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! Just using FPI instead of Euler gives you a higher chance of multiplication if I understand it correctly
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! I suggest to remove
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!#################################################################################################
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!#################################################################################################
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meshlength = mesh_ipVolume(ip,el)**0.333_pReal
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where(sum(rhoSgl(1:ns,1:4),2) > 0.0_pReal)
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nSources = (sum(rhoSgl(1:ns,1:2),2) * prm%fEdgeMultiplication + sum(rhoSgl(1:ns,3:4),2)) &
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@ -2733,7 +2741,7 @@ do s = 1_pInt,ns
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if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
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enddo
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dLower = minDipoleHeight(1:ns,1:2,instance)
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dLower = prm%minDipoleHeight(1:ns,1:2)
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dUpper(1:ns,1) = prm%mu * prm%burgers(1:ns) &
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/ (8.0_pReal * pi * (1.0_pReal - prm%nu) * abs(tau))
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dUpper(1:ns,2) = prm%mu * prm%burgers(1:ns) &
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