using more parameters from smart structure
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Martin Diehl
parent
6bcd4a77d2
commit
41899f6d33
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@ -45,12 +45,7 @@ module plastic_nonlocal
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real(pReal), dimension(:), allocatable, private :: &
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atomicVolume, & !< atomic volume
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Dsd0, & !< prefactor for self-diffusion coefficient
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cutoffRadius, & !< cutoff radius for dislocation stress
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pParam, & !< parameter for kinetic law (Kocks,Argon,Ashby)
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qParam, & !< parameter for kinetic law (Kocks,Argon,Ashby)
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rhoSglScatter, & !< standard deviation of scatter in initial dislocation density
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surfaceTransmissivity, & !< transmissivity at free surface
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grainboundaryTransmissivity, & !< transmissivity at grain boundary (identified by different texture)
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fEdgeMultiplication, & !< factor that determines how much edge dislocations contribute to multiplication (0...1)
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rhoSglRandom, &
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rhoSglRandomBinning
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@ -75,7 +70,6 @@ module plastic_nonlocal
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forestProjectionScrew !< matrix of forest projections of screw dislocations for each instance
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real(pReal), dimension(:,:,:,:), allocatable, private :: &
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lattice2slip, & !< orthogonal transformation matrix from lattice coordinate system to slip coordinate system (passive rotation !!!)
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rhoDotEdgeJogsOutput, &
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sourceProbability
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@ -146,7 +140,6 @@ module plastic_nonlocal
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aTolShear, & !< absolute tolerance for accumulated shear in state integration
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significantRho, & !< density considered significant
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significantN, & !< number of dislocations considered significant
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cutoffRadius, & !< cutoff radius for dislocation stress
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doublekinkwidth, & !< width of a doubkle kink in multiples of the burgers vector length b
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solidSolutionEnergy, & !< activation energy for solid solution in J
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solidSolutionSize, & !< solid solution obstacle size in multiples of the burgers vector length
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@ -361,14 +354,9 @@ 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(Dsd0(maxNinstances), source=-1.0_pReal)
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allocate(cutoffRadius(maxNinstances), source=-1.0_pReal)
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allocate(pParam(maxNinstances), source=1.0_pReal)
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allocate(qParam(maxNinstances), source=1.0_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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allocate(surfaceTransmissivity(maxNinstances), source=1.0_pReal)
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allocate(grainboundaryTransmissivity(maxNinstances), source=-1.0_pReal)
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allocate(fEdgeMultiplication(maxNinstances), source=0.0_pReal)
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allocate(shortRangeStressCorrection(maxNinstances), source=.false.)
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allocate(probabilisticMultiplication(maxNinstances), source=.false.)
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@ -443,8 +431,6 @@ 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('cutoffradius','r')
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cutoffRadius(instance) = IO_floatValue(line,chunkPos,2_pInt)
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case('minimumdipoleheightedge','ddipminedge')
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do f = 1_pInt, Nchunks_SlipFamilies
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minDipoleHeightPerSlipFamily(f,1_pInt,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
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@ -465,20 +451,12 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
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do f = 1_pInt, Nchunks_SlipFamilies
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peierlsStressPerSlipFamily(f,2_pInt,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
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enddo
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case('p')
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pParam(instance) = IO_floatValue(line,chunkPos,2_pInt)
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case('q')
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qParam(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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rhoSglRandom(instance) = IO_floatValue(line,chunkPos,2_pInt)
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case('rhosglrandombinning')
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rhoSglRandomBinning(instance) = IO_floatValue(line,chunkPos,2_pInt)
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case('surfacetransmissivity')
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surfaceTransmissivity(instance) = IO_floatValue(line,chunkPos,2_pInt)
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case('grainboundarytransmissivity')
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grainboundaryTransmissivity(instance) = IO_floatValue(line,chunkPos,2_pInt)
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case('fedgemultiplication','edgemultiplicationfactor','edgemultiplication')
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fEdgeMultiplication(instance) = IO_floatValue(line,chunkPos,2_pInt)
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case('shortrangestresscorrection')
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@ -520,26 +498,16 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
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call IO_error(211_pInt,ext_msg='peierlsStressScrew ('//PLASTICITY_NONLOCAL_label//')')
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endif
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enddo
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if (cutoffRadius(instance) < 0.0_pReal) &
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call IO_error(211_pInt,ext_msg='r ('//PLASTICITY_NONLOCAL_label//')')
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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 (Dsd0(instance) < 0.0_pReal) &
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call IO_error(211_pInt,ext_msg='selfDiffusionPrefactor ('//PLASTICITY_NONLOCAL_label//')')
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if (pParam(instance) <= 0.0_pReal .or. pParam(instance) > 1.0_pReal) &
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call IO_error(211_pInt,ext_msg='p ('//PLASTICITY_NONLOCAL_label//')')
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if (qParam(instance) < 1.0_pReal .or. qParam(instance) > 2.0_pReal) &
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call IO_error(211_pInt,ext_msg='q ('//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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call IO_error(211_pInt,ext_msg='rhoSglRandom ('//PLASTICITY_NONLOCAL_label//')')
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if (rhoSglRandomBinning(instance) <= 0.0_pReal) &
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call IO_error(211_pInt,ext_msg='rhoSglRandomBinning ('//PLASTICITY_NONLOCAL_label//')')
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if (surfaceTransmissivity(instance) < 0.0_pReal .or. surfaceTransmissivity(instance) > 1.0_pReal) &
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call IO_error(211_pInt,ext_msg='surfaceTransmissivity ('//PLASTICITY_NONLOCAL_label//')')
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if (grainboundaryTransmissivity(instance) > 1.0_pReal) &
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call IO_error(211_pInt,ext_msg='grainboundaryTransmissivity ('//PLASTICITY_NONLOCAL_label//')')
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if (fEdgeMultiplication(instance) < 0.0_pReal .or. fEdgeMultiplication(instance) > 1.0_pReal) &
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call IO_error(211_pInt,ext_msg='edgemultiplicationfactor ('//PLASTICITY_NONLOCAL_label//')')
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@ -565,11 +533,11 @@ allocate(iGamma(maxTotalNslip,maxNinstances), source=0_pInt)
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allocate(iRhoF(maxTotalNslip,maxNinstances), source=0_pInt)
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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(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstances), source=0.0_pReal)
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allocate(forestProjectionScrew(maxTotalNslip,maxTotalNslip,maxNinstances), source=0.0_pReal)
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allocate(lattice2slip(1:3, 1:3, maxTotalNslip,maxNinstances), source=0.0_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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@ -595,15 +563,6 @@ allocate(colinearSystem(maxTotalNslip,maxNinstances),
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NofMyPhase=count(material_phase==phase)
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myPhase2: if (phase_plasticity(phase) == PLASTICITY_NONLOCAL_ID) then
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instance = phase_plasticityInstance(phase)
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!*** Inverse lookup of my slip system family and the slip system in lattice
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l = 0_pInt
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do f = 1_pInt,lattice_maxNslipFamily
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do s = 1_pInt,Nslip(f,instance)
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l = l + 1_pInt
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slipFamily(l,instance) = f
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slipSystemLattice(l,instance) = sum(lattice_NslipSystem(1:f-1_pInt, phase)) + s
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enddo; enddo
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!*** determine size of state array
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@ -704,6 +663,18 @@ allocate(colinearSystem(maxTotalNslip,maxNinstances),
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plasticState(phase)%accumulatedSlip => &
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plasticState(phase)%state (iGamma(1,instance):iGamma(ns,instance),1:NofMyPhase)
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!*** Inverse lookup of my slip system family and the slip system in lattice
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l = 0_pInt
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do f = 1_pInt,lattice_maxNslipFamily
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do s = 1_pInt,Nslip(f,instance)
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l = l + 1_pInt
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slipFamily(l,instance) = f
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slipSystemLattice(l,instance) = sum(lattice_NslipSystem(1:f-1_pInt, phase)) + s
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enddo; enddo
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do s1 = 1_pInt,ns
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f = slipFamily(s1,instance)
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@ -733,13 +704,7 @@ allocate(colinearSystem(maxTotalNslip,maxNinstances),
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-1.0_pReal* lattice_sd(1:3,slipSystemLattice(s2,instance),phase)))) .and. s1 /= s2) &
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colinearSystem(s1,instance) = s2
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enddo
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!*** rotation matrix from lattice configuration to slip system
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lattice2slip(1:3,1:3,s1,instance) &
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= transpose( reshape([ lattice_sd(1:3, slipSystemLattice(s1,instance), phase), &
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-lattice_st(1:3, slipSystemLattice(s1,instance), phase), &
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lattice_sn(1:3, slipSystemLattice(s1,instance), phase)], [3,3]))
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enddo
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@ -817,7 +782,6 @@ param(instance)%probabilisticMultiplication = .false.
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peierlsStressPerSlipFamily(:,2_pInt,instance) = config_phase(p)%getFloat('peierlsstressscrew')!,'peierlsstress_screw')
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prm%atomicVolume = config_phase(p)%getFloat('atomicvolume')
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prm%cutoffRadius = config_phase(p)%getFloat('r')!,cutoffradius')
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prm%Dsd0 = config_phase(p)%getFloat('selfdiffusionprefactor') !,'dsd0')
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prm%selfDiffusionEnergy = config_phase(p)%getFloat('selfdiffusionenergy') !,'qsd')
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@ -853,8 +817,8 @@ param(instance)%probabilisticMultiplication = .false.
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prm%rhoSglRandomBinning = config_phase(p)%getFloat('rhosglrandombinning',0.0_pReal) !ToDo: useful default?
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prm%surfaceTransmissivity = config_phase(p)%getFloat('surfacetransmissivity')
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prm%grainboundaryTransmissivity = config_phase(p)%getFloat('grainboundarytransmissivity')
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prm%surfaceTransmissivity = config_phase(p)%getFloat('surfacetransmissivity',defaultVal=1.0_pReal)
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prm%grainboundaryTransmissivity = config_phase(p)%getFloat('grainboundarytransmissivity',defaultVal=-1.0_pReal)
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prm%CFLfactor = config_phase(p)%getFloat('cflfactor',defaultVal=2.0_pReal)
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prm%fEdgeMultiplication = config_phase(p)%getFloat('edgemultiplication')!,'edgemultiplicationfactor','fedgemultiplication')
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@ -877,7 +841,12 @@ param(instance)%probabilisticMultiplication = .false.
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if ( prm%atolshear <= 0.0_pReal) extmsg = trim(extmsg)//' atolshear'
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if ( prm%atolrho <= 0.0_pReal) extmsg = trim(extmsg)//' atolrho'
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if (prm%linetensionEffect < 0.0_pReal .or. prm%linetensionEffect > 1.0_pReal) extmsg = trim(extmsg)//' edgeJogFactor'
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if (prm%p <= 0.0_pReal .or. prm%p > 1.0_pReal) extmsg = trim(extmsg)//' p'
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if (prm%q < 1.0_pReal .or. prm%q > 2.0_pReal) extmsg = trim(extmsg)//' q'
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if (prm%surfaceTransmissivity < 0.0_pReal .or. prm%surfaceTransmissivity > 1.0_pReal) &
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extmsg = trim(extmsg)//' surfaceTransmissivity'
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if (prm%grainboundaryTransmissivity > 1.0_pReal) extmsg = trim(extmsg)//' grainboundaryTransmissivity'
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outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray)
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allocate(prm%outputID(0))
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do i=1_pInt, size(outputs)
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@ -1569,11 +1538,11 @@ if (Temperature > 0.0_pReal) then
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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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* exp(activationEnergy_P / (KB * Temperature) &
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* (1.0_pReal - tauRel_P**pParam(instance))**qParam(instance))
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* (1.0_pReal - tauRel_P**prm%p)**prm%q)
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if (tauEff < criticalStress_P) then
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dtPeierls_dtau = tPeierls * pParam(instance) * qParam(instance) * activationVolume_P / (KB * Temperature) &
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* (1.0_pReal - tauRel_P**pParam(instance))**(qParam(instance)-1.0_pReal) &
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* tauRel_P**(pParam(instance)-1.0_pReal)
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dtPeierls_dtau = tPeierls * prm%p * prm%q * activationVolume_P / (KB * Temperature) &
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* (1.0_pReal - tauRel_P**prm%p)**(prm%q-1.0_pReal) &
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* tauRel_P**(prm%p-1.0_pReal)
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else
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dtPeierls_dtau = 0.0_pReal
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endif
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@ -1592,12 +1561,12 @@ if (Temperature > 0.0_pReal) then
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tauRel_S = min(1.0_pReal, tauEff / criticalStress_S) ! ensure that the activation probability cannot become greater than one
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tSolidSolution = 1.0_pReal / prm%fattack &
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* exp(activationEnergy_S / (KB * Temperature) &
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* (1.0_pReal - tauRel_S**pParam(instance))**qParam(instance))
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* (1.0_pReal - tauRel_S**prm%p)**prm%q)
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if (tauEff < criticalStress_S) then
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dtSolidSolution_dtau = tSolidSolution * pParam(instance) * qParam(instance) &
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dtSolidSolution_dtau = tSolidSolution * prm%p * prm%q &
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* activationVolume_S / (KB * Temperature) &
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* (1.0_pReal - tauRel_S**pParam(instance))**(qParam(instance)-1.0_pReal) &
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* tauRel_S**(pParam(instance)-1.0_pReal)
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* (1.0_pReal - tauRel_S**prm%p)**(prm%q-1.0_pReal) &
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* tauRel_S**(prm%p-1.0_pReal)
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else
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dtSolidSolution_dtau = 0.0_pReal
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endif
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