223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

using more parameters from parameter structure

This commit is contained in:
Martin Diehl 2019-02-18 22:55:31 +01:00
parent ae9d8e4e8d
commit 1a5711e246
1 changed files with 46 additions and 106 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

152
src/plastic_nonlocal.f90
View File

@ -14,12 +14,6 @@ module plastic_nonlocal
real(pReal), parameter, private :: & real(pReal), parameter, private :: &
KB = 1.38e-23_pReal !< Physical parameter, Boltzmann constant in J/Kelvin KB = 1.38e-23_pReal !< Physical parameter, Boltzmann constant in J/Kelvin
integer(pInt), dimension(:), allocatable, public, protected :: &
plastic_nonlocal_sizeDotState, & !< number of dotStates = number of basic state variables
plastic_nonlocal_sizeDependentState, & !< number of dependent state variables
plastic_nonlocal_sizeState !< total number of state variables
integer(pInt), dimension(:,:), allocatable, target, public :: & integer(pInt), dimension(:,:), allocatable, target, public :: &
plastic_nonlocal_sizePostResult !< size of each post result output plastic_nonlocal_sizePostResult !< size of each post result output
@ -51,23 +45,15 @@ module plastic_nonlocal
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
atomicVolume, & !< atomic volume atomicVolume, & !< atomic volume
Dsd0, & !< prefactor for self-diffusion coefficient Dsd0, & !< prefactor for self-diffusion coefficient
aTolRho, & !< absolute tolerance for dislocation density in state integration
aTolShear, & !< absolute tolerance for accumulated shear in state integration
cutoffRadius, & !< cutoff radius for dislocation stress cutoffRadius, & !< cutoff radius for dislocation stress
doublekinkwidth, & !< width of a doubkle kink in multiples of the burgers vector length b
solidSolutionEnergy, & !< activation energy for solid solution in J
solidSolutionSize, & !< solid solution obstacle size in multiples of the burgers vector length
solidSolutionConcentration, & !< concentration of solid solution in atomic parts
pParam, & !< parameter for kinetic law (Kocks,Argon,Ashby) pParam, & !< parameter for kinetic law (Kocks,Argon,Ashby)
qParam, & !< parameter for kinetic law (Kocks,Argon,Ashby) qParam, & !< parameter for kinetic law (Kocks,Argon,Ashby)
rhoSglScatter, & !< standard deviation of scatter in initial dislocation density rhoSglScatter, & !< standard deviation of scatter in initial dislocation density
surfaceTransmissivity, & !< transmissivity at free surface surfaceTransmissivity, & !< transmissivity at free surface
grainboundaryTransmissivity, & !< transmissivity at grain boundary (identified by different texture) grainboundaryTransmissivity, & !< transmissivity at grain boundary (identified by different texture)
CFLfactor, & !< safety factor for CFL flux condition
fEdgeMultiplication, & !< factor that determines how much edge dislocations contribute to multiplication (0...1) fEdgeMultiplication, & !< factor that determines how much edge dislocations contribute to multiplication (0...1)
rhoSglRandom, & rhoSglRandom, &
rhoSglRandomBinning, & rhoSglRandomBinning
linetensionEffect
real(pReal), dimension(:,:), allocatable, private :: & real(pReal), dimension(:,:), allocatable, private :: &
rhoSglEdgePos0, & !< initial edge_pos dislocation density per slip system for each family and instance rhoSglEdgePos0, & !< initial edge_pos dislocation density per slip system for each family and instance
@ -77,9 +63,7 @@ module plastic_nonlocal
rhoDipEdge0, & !< initial edge dipole dislocation density per slip system for each family and instance rhoDipEdge0, & !< initial edge dipole dislocation density per slip system for each family and instance
rhoDipScrew0, & !< initial screw dipole dislocation density per slip system for each family and instance rhoDipScrew0, & !< initial screw dipole dislocation density per slip system for each family and instance
lambda0PerSlipFamily, & !< mean free path prefactor for each family and instance lambda0PerSlipFamily, & !< mean free path prefactor for each family and instance
lambda0, & !< mean free path prefactor for each slip system and instance lambda0 !< mean free path prefactor for each slip system and instance
burgersPerSlipFamily, & !< absolute length of burgers vector [m] for each family and instance
burgers !< absolute length of burgers vector [m] for each slip system and instance
real(pReal), dimension(:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:), allocatable, private :: &
@ -209,8 +193,6 @@ module plastic_nonlocal
integer(pInt) , dimension(:) ,allocatable , public:: & integer(pInt) , dimension(:) ,allocatable , public:: &
Nslip,& Nslip,&
slipFamily, & !< lookup table relating active slip system to slip family for each instance
slipSystemLattice, & !< lookup table relating active slip system index to lattice slip system index for each instance
colinearSystem !< colinear system to the active slip system (only valid for fcc!) colinearSystem !< colinear system to the active slip system (only valid for fcc!)
logical, private :: & logical, private :: &
@ -329,9 +311,6 @@ integer(pInt) :: phase, &
!*** memory allocation for global variables !*** memory allocation for global variables
allocate(param(maxNinstances)) allocate(param(maxNinstances))
allocate(plastic_nonlocal_sizeDotState(maxNinstances), source=0_pInt)
allocate(plastic_nonlocal_sizeDependentState(maxNinstances), source=0_pInt)
allocate(plastic_nonlocal_sizeState(maxNinstances), source=0_pInt)
allocate(plastic_nonlocal_sizePostResult(maxval(phase_Noutput), maxNinstances), source=0_pInt) allocate(plastic_nonlocal_sizePostResult(maxval(phase_Noutput), maxNinstances), source=0_pInt)
allocate(plastic_nonlocal_output(maxval(phase_Noutput), maxNinstances)) allocate(plastic_nonlocal_output(maxval(phase_Noutput), maxNinstances))
plastic_nonlocal_output = '' plastic_nonlocal_output = ''
@ -342,13 +321,7 @@ allocate(slipSystemLattice(lattice_maxNslip,maxNinstances), source=0_pInt)
allocate(totalNslip(maxNinstances), source=0_pInt) allocate(totalNslip(maxNinstances), source=0_pInt)
allocate(atomicVolume(maxNinstances), source=0.0_pReal) allocate(atomicVolume(maxNinstances), source=0.0_pReal)
allocate(Dsd0(maxNinstances), source=-1.0_pReal) allocate(Dsd0(maxNinstances), source=-1.0_pReal)
allocate(aTolRho(maxNinstances), source=0.0_pReal)
allocate(aTolShear(maxNinstances), source=0.0_pReal)
allocate(cutoffRadius(maxNinstances), source=-1.0_pReal) allocate(cutoffRadius(maxNinstances), source=-1.0_pReal)
allocate(doublekinkwidth(maxNinstances), source=0.0_pReal)
allocate(solidSolutionEnergy(maxNinstances), source=0.0_pReal)
allocate(solidSolutionSize(maxNinstances), source=0.0_pReal)
allocate(solidSolutionConcentration(maxNinstances), source=0.0_pReal)
allocate(pParam(maxNinstances), source=1.0_pReal) allocate(pParam(maxNinstances), source=1.0_pReal)
allocate(qParam(maxNinstances), source=1.0_pReal) allocate(qParam(maxNinstances), source=1.0_pReal)
allocate(rhoSglScatter(maxNinstances), source=0.0_pReal) allocate(rhoSglScatter(maxNinstances), source=0.0_pReal)
@ -356,9 +329,7 @@ allocate(rhoSglRandom(maxNinstances), source=0.0_pReal)
allocate(rhoSglRandomBinning(maxNinstances), source=1.0_pReal) allocate(rhoSglRandomBinning(maxNinstances), source=1.0_pReal)
allocate(surfaceTransmissivity(maxNinstances), source=1.0_pReal) allocate(surfaceTransmissivity(maxNinstances), source=1.0_pReal)
allocate(grainboundaryTransmissivity(maxNinstances), source=-1.0_pReal) allocate(grainboundaryTransmissivity(maxNinstances), source=-1.0_pReal)
allocate(CFLfactor(maxNinstances), source=2.0_pReal)
allocate(fEdgeMultiplication(maxNinstances), source=0.0_pReal) allocate(fEdgeMultiplication(maxNinstances), source=0.0_pReal)
allocate(linetensionEffect(maxNinstances), source=0.0_pReal)
allocate(shortRangeStressCorrection(maxNinstances), source=.false.) allocate(shortRangeStressCorrection(maxNinstances), source=.false.)
allocate(probabilisticMultiplication(maxNinstances), source=.false.) allocate(probabilisticMultiplication(maxNinstances), source=.false.)
@ -368,7 +339,6 @@ allocate(rhoSglScrewPos0(lattice_maxNslipFamily,maxNinstances), s
allocate(rhoSglScrewNeg0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal) allocate(rhoSglScrewNeg0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
allocate(rhoDipEdge0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal) allocate(rhoDipEdge0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
allocate(rhoDipScrew0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal) allocate(rhoDipScrew0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstances), source=0.0_pReal)
allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNinstances), source=0.0_pReal) allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNinstances), source=0.0_pReal)
allocate(minDipoleHeightPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), source=-1.0_pReal) allocate(minDipoleHeightPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), source=-1.0_pReal)
allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), source=0.0_pReal) allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), source=0.0_pReal)
@ -433,10 +403,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
do f = 1_pInt, Nchunks_SlipFamilies do f = 1_pInt, Nchunks_SlipFamilies
lambda0PerSlipFamily(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f) lambda0PerSlipFamily(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
enddo enddo
case ('burgers')
do f = 1_pInt, Nchunks_SlipFamilies
burgersPerSlipFamily(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
enddo
case('cutoffradius','r') case('cutoffradius','r')
cutoffRadius(instance) = IO_floatValue(line,chunkPos,2_pInt) cutoffRadius(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('minimumdipoleheightedge','ddipminedge') case('minimumdipoleheightedge','ddipminedge')
@ -451,12 +417,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
atomicVolume(instance) = IO_floatValue(line,chunkPos,2_pInt) atomicVolume(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('selfdiffusionprefactor','dsd0') case('selfdiffusionprefactor','dsd0')
Dsd0(instance) = IO_floatValue(line,chunkPos,2_pInt) Dsd0(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('atol_rho','atol_density','absolutetolerancedensity','absolutetolerance_density')
aTolRho(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('atol_shear','atol_plasticshear','atol_accumulatedshear','absolutetoleranceshear','absolutetolerance_shear')
aTolShear(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('linetension','linetensioneffect','linetension_effect')
linetensionEffect(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('peierlsstressedge','peierlsstress_edge') case('peierlsstressedge','peierlsstress_edge')
do f = 1_pInt, Nchunks_SlipFamilies do f = 1_pInt, Nchunks_SlipFamilies
peierlsStressPerSlipFamily(f,1_pInt,instance) = IO_floatValue(line,chunkPos,1_pInt+f) peierlsStressPerSlipFamily(f,1_pInt,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
@ -465,14 +425,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
do f = 1_pInt, Nchunks_SlipFamilies do f = 1_pInt, Nchunks_SlipFamilies
peierlsStressPerSlipFamily(f,2_pInt,instance) = IO_floatValue(line,chunkPos,1_pInt+f) peierlsStressPerSlipFamily(f,2_pInt,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
enddo enddo
case('doublekinkwidth')
doublekinkwidth(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('solidsolutionenergy')
solidSolutionEnergy(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('solidsolutionsize')
solidSolutionSize(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('solidsolutionconcentration')
solidSolutionConcentration(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('p') case('p')
pParam(instance) = IO_floatValue(line,chunkPos,2_pInt) pParam(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('q') case('q')
@ -487,8 +439,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
surfaceTransmissivity(instance) = IO_floatValue(line,chunkPos,2_pInt) surfaceTransmissivity(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('grainboundarytransmissivity') case('grainboundarytransmissivity')
grainboundaryTransmissivity(instance) = IO_floatValue(line,chunkPos,2_pInt) grainboundaryTransmissivity(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('cflfactor')
CFLfactor(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('fedgemultiplication','edgemultiplicationfactor','edgemultiplication') case('fedgemultiplication','edgemultiplicationfactor','edgemultiplication')
fEdgeMultiplication(instance) = IO_floatValue(line,chunkPos,2_pInt) fEdgeMultiplication(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('shortrangestresscorrection') case('shortrangestresscorrection')
@ -518,8 +468,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
call IO_error(211_pInt,ext_msg='rhoDipEdge0 ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='rhoDipEdge0 ('//PLASTICITY_NONLOCAL_label//')')
if (rhoDipScrew0(f,instance) < 0.0_pReal) & if (rhoDipScrew0(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='rhoDipScrew0 ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='rhoDipScrew0 ('//PLASTICITY_NONLOCAL_label//')')
if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='Burgers ('//PLASTICITY_NONLOCAL_label//')')
if (lambda0PerSlipFamily(f,instance) <= 0.0_pReal) & if (lambda0PerSlipFamily(f,instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='lambda0 ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='lambda0 ('//PLASTICITY_NONLOCAL_label//')')
if (minDipoleHeightPerSlipFamily(f,1,instance) < 0.0_pReal) & if (minDipoleHeightPerSlipFamily(f,1,instance) < 0.0_pReal) &
@ -532,26 +480,12 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
call IO_error(211_pInt,ext_msg='peierlsStressScrew ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='peierlsStressScrew ('//PLASTICITY_NONLOCAL_label//')')
endif endif
enddo enddo
if (linetensionEffect(instance) < 0.0_pReal .or. linetensionEffect(instance) > 1.0_pReal) &
call IO_error(211_pInt,ext_msg='linetension ('//PLASTICITY_NONLOCAL_label//')')
if (cutoffRadius(instance) < 0.0_pReal) & if (cutoffRadius(instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='r ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='r ('//PLASTICITY_NONLOCAL_label//')')
if (atomicVolume(instance) <= 0.0_pReal) & if (atomicVolume(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='atomicVolume ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='atomicVolume ('//PLASTICITY_NONLOCAL_label//')')
if (Dsd0(instance) < 0.0_pReal) & if (Dsd0(instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='selfDiffusionPrefactor ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='selfDiffusionPrefactor ('//PLASTICITY_NONLOCAL_label//')')
if (aTolRho(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='aTol_rho ('//PLASTICITY_NONLOCAL_label//')')
if (aTolShear(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='aTol_shear ('//PLASTICITY_NONLOCAL_label//')')
if (doublekinkwidth(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='doublekinkwidth ('//PLASTICITY_NONLOCAL_label//')')
if (solidSolutionEnergy(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='solidSolutionEnergy ('//PLASTICITY_NONLOCAL_label//')')
if (solidSolutionSize(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='solidSolutionSize ('//PLASTICITY_NONLOCAL_label//')')
if (solidSolutionConcentration(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='solidSolutionConcentration ('//PLASTICITY_NONLOCAL_label//')')
if (pParam(instance) <= 0.0_pReal .or. pParam(instance) > 1.0_pReal) & if (pParam(instance) <= 0.0_pReal .or. pParam(instance) > 1.0_pReal) &
call IO_error(211_pInt,ext_msg='p ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='p ('//PLASTICITY_NONLOCAL_label//')')
if (qParam(instance) < 1.0_pReal .or. qParam(instance) > 2.0_pReal) & if (qParam(instance) < 1.0_pReal .or. qParam(instance) > 2.0_pReal) &
@ -566,8 +500,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
call IO_error(211_pInt,ext_msg='surfaceTransmissivity ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='surfaceTransmissivity ('//PLASTICITY_NONLOCAL_label//')')
if (grainboundaryTransmissivity(instance) > 1.0_pReal) & if (grainboundaryTransmissivity(instance) > 1.0_pReal) &
call IO_error(211_pInt,ext_msg='grainboundaryTransmissivity ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='grainboundaryTransmissivity ('//PLASTICITY_NONLOCAL_label//')')
if (CFLfactor(instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='CFLfactor ('//PLASTICITY_NONLOCAL_label//')')
if (fEdgeMultiplication(instance) < 0.0_pReal .or. fEdgeMultiplication(instance) > 1.0_pReal) & if (fEdgeMultiplication(instance) < 0.0_pReal .or. fEdgeMultiplication(instance) > 1.0_pReal) &
call IO_error(211_pInt,ext_msg='edgemultiplicationfactor ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='edgemultiplicationfactor ('//PLASTICITY_NONLOCAL_label//')')
@ -593,7 +525,6 @@ allocate(iGamma(maxTotalNslip,maxNinstances), source=0_pInt)
allocate(iRhoF(maxTotalNslip,maxNinstances), source=0_pInt) allocate(iRhoF(maxTotalNslip,maxNinstances), source=0_pInt)
allocate(iTauF(maxTotalNslip,maxNinstances), source=0_pInt) allocate(iTauF(maxTotalNslip,maxNinstances), source=0_pInt)
allocate(iTauB(maxTotalNslip,maxNinstances), source=0_pInt) allocate(iTauB(maxTotalNslip,maxNinstances), source=0_pInt)
allocate(burgers(maxTotalNslip,maxNinstances), source=0.0_pReal)
allocate(lambda0(maxTotalNslip,maxNinstances), source=0.0_pReal) allocate(lambda0(maxTotalNslip,maxNinstances), source=0.0_pReal)
allocate(minDipoleHeight(maxTotalNslip,2,maxNinstances), source=-1.0_pReal) allocate(minDipoleHeight(maxTotalNslip,2,maxNinstances), source=-1.0_pReal)
allocate(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstances), source=0.0_pReal) allocate(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstances), source=0.0_pReal)
@ -738,7 +669,6 @@ allocate(colinearSystem(maxTotalNslip,maxNinstances),
!*** burgers vector, mean free path prefactor and minimum dipole distance for each slip system !*** burgers vector, mean free path prefactor and minimum dipole distance for each slip system
burgers(s1,instance) = burgersPerSlipFamily(f,instance)
lambda0(s1,instance) = lambda0PerSlipFamily(f,instance) lambda0(s1,instance) = lambda0PerSlipFamily(f,instance)
minDipoleHeight(s1,1:2,instance) = minDipoleHeightPerSlipFamily(f,1:2,instance) minDipoleHeight(s1,1:2,instance) = minDipoleHeightPerSlipFamily(f,1:2,instance)
peierlsStress(s1,1:2,instance) = peierlsStressPerSlipFamily(f,1:2,instance) peierlsStress(s1,1:2,instance) = peierlsStressPerSlipFamily(f,1:2,instance)
@ -832,9 +762,9 @@ param(instance)%probabilisticMultiplication = .false.
prm%lambda0 = math_expand(prm%lambda0,prm%Nslip) prm%lambda0 = math_expand(prm%lambda0,prm%Nslip)
prm%burgers = config_phase(p)%getFloats('burgers') prm%burgers = config_phase(p)%getFloats('burgers', requiredSize=size(prm%Nslip))
if (size(prm%burgers) /= size(prm%Nslip)) call IO_error(150_pInt,ext_msg='burgers')
prm%burgers = math_expand(prm%burgers,prm%Nslip) prm%burgers = math_expand(prm%burgers,prm%Nslip)
@ -848,8 +778,8 @@ param(instance)%probabilisticMultiplication = .false.
prm%Dsd0 = config_phase(p)%getFloat('selfdiffusionprefactor') !,'dsd0') prm%Dsd0 = config_phase(p)%getFloat('selfdiffusionprefactor') !,'dsd0')
prm%selfDiffusionEnergy = config_phase(p)%getFloat('selfdiffusionenergy') !,'qsd') prm%selfDiffusionEnergy = config_phase(p)%getFloat('selfdiffusionenergy') !,'qsd')
prm%aTolRho = config_phase(p)%getFloat('atol_rho') !,'atol_density','absolutetolerancedensity','absolutetolerance_density') prm%aTolRho = config_phase(p)%getFloat('atol_rho')
prm%aTolShear = config_phase(p)%getFloat('atol_shear') !,'atol_plasticshear','atol_accumulatedshear','absolutetoleranceshear','absolutetolerance_shear') prm%aTolShear = config_phase(p)%getFloat('atol_shear')
prm%significantRho = config_phase(p)%getFloat('significantrho')!,'significant_rho','significantdensity','significant_density') prm%significantRho = config_phase(p)%getFloat('significantrho')!,'significant_rho','significantdensity','significant_density')
@ -882,21 +812,29 @@ param(instance)%probabilisticMultiplication = .false.
prm%surfaceTransmissivity = config_phase(p)%getFloat('surfacetransmissivity') prm%surfaceTransmissivity = config_phase(p)%getFloat('surfacetransmissivity')
prm%grainboundaryTransmissivity = config_phase(p)%getFloat('grainboundarytransmissivity') prm%grainboundaryTransmissivity = config_phase(p)%getFloat('grainboundarytransmissivity')
prm%CFLfactor = config_phase(p)%getFloat('cflfactor') prm%CFLfactor = config_phase(p)%getFloat('cflfactor',defaultVal=2.0_pReal)
prm%fEdgeMultiplication = config_phase(p)%getFloat('edgemultiplication')!,'edgemultiplicationfactor','fedgemultiplication') prm%fEdgeMultiplication = config_phase(p)%getFloat('edgemultiplication')!,'edgemultiplicationfactor','fedgemultiplication')
prm%shortRangeStressCorrection = config_phase(p)%getInt('shortrangestresscorrection' ) > 0_pInt prm%shortRangeStressCorrection = config_phase(p)%getInt('shortrangestresscorrection' ) > 0_pInt
prm%probabilisticMultiplication = config_phase(p)%keyExists('/probabilisticmultiplication/' )!,'randomsources','randommultiplication','discretesources') prm%probabilisticMultiplication = config_phase(p)%keyExists('/probabilisticmultiplication/' )!,'randomsources','randommultiplication','discretesources')
! sanity checks ! sanity checks
if ( any(prm%burgers <= 0.0_pReal)) extmsg = trim(extmsg)//' burgers'
if ( prm%viscosity <= 0.0_pReal) extmsg = trim(extmsg)//' viscosity' if ( prm%viscosity <= 0.0_pReal) extmsg = trim(extmsg)//' viscosity'
if ( prm%significantN < 0.0_pReal) extmsg = trim(extmsg)//' significantN' if ( prm%significantN < 0.0_pReal) extmsg = trim(extmsg)//' significantN'
if ( prm%significantrho < 0.0_pReal) extmsg = trim(extmsg)//' significantrho' if ( prm%significantrho < 0.0_pReal) extmsg = trim(extmsg)//' significantrho'
if ( prm%selfDiffusionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' selfDiffusionEnergy' if ( prm%selfDiffusionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' selfDiffusionEnergy'
if ( prm%fattack <= 0.0_pReal) extmsg = trim(extmsg)//' fattack' if ( prm%fattack <= 0.0_pReal) extmsg = trim(extmsg)//' fattack'
if (prm%edgeJogFactor < 0.0_pReal .or. prm%edgeJogFactor > 1.0_pReal) extmsg = trim(extmsg)//' edgeJogFactor' if (prm%edgeJogFactor < 0.0_pReal .or. prm%edgeJogFactor > 1.0_pReal) extmsg = trim(extmsg)//' edgeJogFactor'
if ( prm%solidSolutionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' solidSolutionEnergy'
if ( prm%solidSolutionSize <= 0.0_pReal) extmsg = trim(extmsg)//' solidSolutionSize'
if ( prm%solidSolutionConcentration <= 0.0_pReal) extmsg = trim(extmsg)//' solidSolutionConcentration'
if ( prm%CFLfactor < 0.0_pReal) extmsg = trim(extmsg)//' CFLfactor'
if ( prm%doublekinkwidth <= 0.0_pReal) extmsg = trim(extmsg)//' doublekinkwidth'
if ( prm%atolshear <= 0.0_pReal) extmsg = trim(extmsg)//' atolshear'
if ( prm%atolrho <= 0.0_pReal) extmsg = trim(extmsg)//' atolrho'
if (prm%linetensionEffect < 0.0_pReal .or. prm%linetensionEffect > 1.0_pReal) extmsg = trim(extmsg)//' edgeJogFactor'
outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray) outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0)) allocate(prm%outputID(0))
do i=1_pInt, size(outputs) do i=1_pInt, size(outputs)
@ -1122,16 +1060,18 @@ subroutine plastic_nonlocal_aTolState(ph,instance)
ns, & ns, &
t, c t, c
associate (prm => param(instance))
ns = totalNslip(instance) ns = totalNslip(instance)
forall (t = 1_pInt:4_pInt) forall (t = 1_pInt:4_pInt)
plasticState(ph)%aTolState(iRhoU(1:ns,t,instance)) = aTolRho(instance) plasticState(ph)%aTolState(iRhoU(1:ns,t,instance)) = prm%aTolRho
plasticState(ph)%aTolState(iRhoB(1:ns,t,instance)) = aTolRho(instance) plasticState(ph)%aTolState(iRhoB(1:ns,t,instance)) = prm%aTolRho
end forall end forall
forall (c = 1_pInt:2_pInt) & forall (c = 1_pInt:2_pInt) &
plasticState(ph)%aTolState(iRhoD(1:ns,c,instance)) = aTolRho(instance) plasticState(ph)%aTolState(iRhoD(1:ns,c,instance)) = prm%aTolRho
plasticState(ph)%aTolState(iGamma(1:ns,instance)) = aTolShear(instance) plasticState(ph)%aTolState(iGamma(1:ns,instance)) = prm%aTolShear
end associate
end subroutine plastic_nonlocal_aTolState end subroutine plastic_nonlocal_aTolState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1498,10 +1438,10 @@ if (Temperature > 0.0_pReal) then
!* The derivative only gives absolute values; the correct sign is taken care of in the formula for the derivative of the velocity !* The derivative only gives absolute values; the correct sign is taken care of in the formula for the derivative of the velocity
tauEff = max(0.0_pReal, abs(tauNS(s)) - tauThreshold(s)) ! ensure that the effective stress is positive tauEff = max(0.0_pReal, abs(tauNS(s)) - tauThreshold(s)) ! ensure that the effective stress is positive
meanfreepath_P = burgers(s,instance) meanfreepath_P = prm%burgers(s)
jumpWidth_P = burgers(s,instance) jumpWidth_P = prm%burgers(s)
activationLength_P = doublekinkwidth(instance) * burgers(s,instance) activationLength_P = prm%doublekinkwidth *prm%burgers(s)
activationVolume_P = activationLength_P * jumpWidth_P * burgers(s,instance) activationVolume_P = activationLength_P * jumpWidth_P * prm%burgers(s)
criticalStress_P = peierlsStress(s,c,instance) criticalStress_P = peierlsStress(s,c,instance)
activationEnergy_P = criticalStress_P * activationVolume_P activationEnergy_P = criticalStress_P * activationVolume_P
tauRel_P = min(1.0_pReal, tauEff / criticalStress_P) ! ensure that the activation probability cannot become greater than one tauRel_P = min(1.0_pReal, tauEff / criticalStress_P) ! ensure that the activation probability cannot become greater than one
@ -1521,11 +1461,11 @@ if (Temperature > 0.0_pReal) then
!* The derivative only gives absolute values; the correct sign is taken care of in the formula for the derivative of the velocity !* The derivative only gives absolute values; the correct sign is taken care of in the formula for the derivative of the velocity
tauEff = abs(tau(s)) - tauThreshold(s) tauEff = abs(tau(s)) - tauThreshold(s)
meanfreepath_S = burgers(s,instance) / sqrt(solidSolutionConcentration(instance)) meanfreepath_S = prm%burgers(s) / sqrt(prm%solidSolutionConcentration)
jumpWidth_S = solidSolutionSize(instance) * burgers(s,instance) jumpWidth_S = prm%solidSolutionSize * prm%burgers(s)
activationLength_S = burgers(s,instance) / sqrt(solidSolutionConcentration(instance)) activationLength_S = prm%burgers(s) / sqrt(prm%solidSolutionConcentration)
activationVolume_S = activationLength_S * jumpWidth_S * burgers(s,instance) activationVolume_S = activationLength_S * jumpWidth_S * prm%burgers(s)
activationEnergy_S = solidSolutionEnergy(instance) activationEnergy_S = prm%solidSolutionEnergy
criticalStress_S = activationEnergy_S / activationVolume_S criticalStress_S = activationEnergy_S / activationVolume_S
tauRel_S = min(1.0_pReal, tauEff / criticalStress_S) ! ensure that the activation probability cannot become greater than one tauRel_S = min(1.0_pReal, tauEff / criticalStress_S) ! ensure that the activation probability cannot become greater than one
tSolidSolution = 1.0_pReal / prm%fattack & tSolidSolution = 1.0_pReal / prm%fattack &
@ -1544,7 +1484,7 @@ if (Temperature > 0.0_pReal) then
!* viscous glide velocity !* viscous glide velocity
tauEff = abs(tau(s)) - tauThreshold(s) tauEff = abs(tau(s)) - tauThreshold(s)
mobility = burgers(s,instance) / prm%viscosity mobility = prm%burgers(s) / prm%viscosity
vViscous = mobility * tauEff vViscous = mobility * tauEff
@ -2153,9 +2093,9 @@ do s = 1_pInt,ns ! loop over slip systems
enddo enddo
dLower = minDipoleHeight(1:ns,1:2,instance) dLower = minDipoleHeight(1:ns,1:2,instance)
dUpper(1:ns,1) = lattice_mu(ph) * burgers(1:ns,instance) & dUpper(1:ns,1) = lattice_mu(ph) * prm%burgers(1:ns) &
/ (8.0_pReal * pi * (1.0_pReal - lattice_nu(ph)) * abs(tau)) / (8.0_pReal * pi * (1.0_pReal - lattice_nu(ph)) * abs(tau))
dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) & dUpper(1:ns,2) = lattice_mu(ph) * prm%burgers(1:ns) &
/ (4.0_pReal * pi * abs(tau)) / (4.0_pReal * pi * abs(tau))
forall (c = 1_pInt:2_pInt) forall (c = 1_pInt:2_pInt)
where(dNeq0(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+abs(rhoSgl(1:ns,2*c+3))& where(dNeq0(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+abs(rhoSgl(1:ns,2*c+3))&
@ -2172,10 +2112,10 @@ dUpper = max(dUpper,dLower)
rhoDotMultiplication = 0.0_pReal rhoDotMultiplication = 0.0_pReal
if (lattice_structure(ph) == LATTICE_bcc_ID) then ! BCC if (lattice_structure(ph) == LATTICE_bcc_ID) then ! BCC
forall (s = 1:ns, sum(abs(v(s,1:4))) > 0.0_pReal) forall (s = 1:ns, sum(abs(v(s,1:4))) > 0.0_pReal)
rhoDotMultiplication(s,1:2) = sum(abs(gdot(s,3:4))) / burgers(s,instance) & ! assuming double-cross-slip of screws to be decisive for multiplication rhoDotMultiplication(s,1:2) = sum(abs(gdot(s,3:4))) / prm%burgers(s) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt(rhoForest(s)) / lambda0(s,instance) ! & ! mean free path * sqrt(rhoForest(s)) / lambda0(s,instance) ! & ! mean free path
! * 2.0_pReal * sum(abs(v(s,3:4))) / sum(abs(v(s,1:4))) ! ratio of screw to overall velocity determines edge generation ! * 2.0_pReal * sum(abs(v(s,3:4))) / sum(abs(v(s,1:4))) ! ratio of screw to overall velocity determines edge generation
rhoDotMultiplication(s,3:4) = sum(abs(gdot(s,3:4))) / burgers(s,instance) & ! assuming double-cross-slip of screws to be decisive for multiplication rhoDotMultiplication(s,3:4) = sum(abs(gdot(s,3:4))) /prm%burgers(s) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt(rhoForest(s)) / lambda0(s,instance) ! & ! mean free path * sqrt(rhoForest(s)) / lambda0(s,instance) ! & ! mean free path
! * 2.0_pReal * sum(abs(v(s,1:2))) / sum(abs(v(s,1:4))) ! ratio of edge to overall velocity determines screw generation ! * 2.0_pReal * sum(abs(v(s,1:2))) / sum(abs(v(s,1:4))) ! ratio of edge to overall velocity determines screw generation
endforall endforall
@ -2203,7 +2143,7 @@ else
sourceProbability(s,1_pInt,ip,el) = 2.0_pReal sourceProbability(s,1_pInt,ip,el) = 2.0_pReal
rhoDotMultiplication(s,1:4) = & rhoDotMultiplication(s,1:4) = &
(sum(abs(gdot(s,1:2))) * fEdgeMultiplication(instance) + sum(abs(gdot(s,3:4)))) & (sum(abs(gdot(s,1:2))) * fEdgeMultiplication(instance) + sum(abs(gdot(s,3:4)))) &
/ burgers(s,instance) * sqrt(rhoForest(s)) / lambda0(s,instance) /prm%burgers(s) * sqrt(rhoForest(s)) / lambda0(s,instance)
endif endif
enddo enddo
#ifdef DEBUG #ifdef DEBUG
@ -2215,7 +2155,7 @@ else
else else
rhoDotMultiplication(1:ns,1:4) = spread( & rhoDotMultiplication(1:ns,1:4) = spread( &
(sum(abs(gdot(1:ns,1:2)),2) * fEdgeMultiplication(instance) + sum(abs(gdot(1:ns,3:4)),2)) & (sum(abs(gdot(1:ns,1:2)),2) * fEdgeMultiplication(instance) + sum(abs(gdot(1:ns,3:4)),2)) &
* sqrt(rhoForest(1:ns)) / lambda0(1:ns,instance) / burgers(1:ns,instance), 2, 4) * sqrt(rhoForest(1:ns)) / lambda0(1:ns,instance) / prm%burgers(1:ns), 2, 4)
endif endif
endif endif
@ -2231,14 +2171,14 @@ if (.not. phase_localPlasticity(material_phase(1_pInt,ip,el))) then
!*** check CFL (Courant-Friedrichs-Lewy) condition for flux !*** check CFL (Courant-Friedrichs-Lewy) condition for flux
if (any( abs(gdot) > 0.0_pReal & ! any active slip system ... if (any( abs(gdot) > 0.0_pReal & ! any active slip system ...
.and. CFLfactor(instance) * abs(v) * timestep & .and. prm%CFLfactor * abs(v) * timestep &
> mesh_ipVolume(ip,el) / maxval(mesh_ipArea(:,ip,el)))) then ! ...with velocity above critical value (we use the reference volume and area for simplicity here) > mesh_ipVolume(ip,el) / maxval(mesh_ipArea(:,ip,el)))) then ! ...with velocity above critical value (we use the reference volume and area for simplicity here)
#ifdef DEBUG #ifdef DEBUG
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt) then if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt) then
write(6,'(a,i5,a,i2)') '<< CONST >> CFL condition not fullfilled at el ',el,' ip ',ip write(6,'(a,i5,a,i2)') '<< CONST >> CFL condition not fullfilled at el ',el,' ip ',ip
write(6,'(a,e10.3,a,e10.3)') '<< CONST >> velocity is at ', & write(6,'(a,e10.3,a,e10.3)') '<< CONST >> velocity is at ', &
maxval(abs(v), abs(gdot) > 0.0_pReal & maxval(abs(v), abs(gdot) > 0.0_pReal &
.and. CFLfactor(instance) * abs(v) * timestep & .and. prm%CFLfactor * abs(v) * timestep &
> mesh_ipVolume(ip,el) / maxval(mesh_ipArea(:,ip,el))), & > mesh_ipVolume(ip,el) / maxval(mesh_ipArea(:,ip,el))), &
' at a timestep of ',timestep ' at a timestep of ',timestep
write(6,'(a)') '<< CONST >> enforcing cutback !!!' write(6,'(a)') '<< CONST >> enforcing cutback !!!'
@ -2497,8 +2437,8 @@ rhoDotEdgeJogsOutput(1:ns,1_pInt,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(
#endif #endif
if ( any(rhoSglOriginal(1:ns,1:4) + rhoDot(1:ns,1:4) * timestep < -aTolRho(instance)) & if ( any(rhoSglOriginal(1:ns,1:4) + rhoDot(1:ns,1:4) * timestep < -prm%aTolRho) &
.or. any(rhoDipOriginal(1:ns,1:2) + rhoDot(1:ns,9:10) * timestep < -aTolRho(instance))) then .or. any(rhoDipOriginal(1:ns,1:2) + rhoDot(1:ns,9:10) * timestep < -prm%aTolRho)) then
#ifdef DEBUG #ifdef DEBUG
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt) then if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt) then
write(6,'(a,i5,a,i2)') '<< CONST >> evolution rate leads to negative density at el ',el,' ip ',ip write(6,'(a,i5,a,i2)') '<< CONST >> evolution rate leads to negative density at el ',el,' ip ',ip
@ -2782,7 +2722,7 @@ tauBack = plasticState(ph)%State(iTauB(1:ns,instance),of)
!* Calculate shear rate !* Calculate shear rate
forall (t = 1_pInt:4_pInt) & forall (t = 1_pInt:4_pInt) &
gdot(1:ns,t) = rhoSgl(1:ns,t) * burgers(1:ns,instance) * v(1:ns,t) gdot(1:ns,t) = rhoSgl(1:ns,t) * prm%burgers(1:ns) * v(1:ns,t)
!* calculate limits for stable dipole height !* calculate limits for stable dipole height
@ -2793,9 +2733,9 @@ do s = 1_pInt,ns
enddo enddo
dLower = minDipoleHeight(1:ns,1:2,instance) dLower = minDipoleHeight(1:ns,1:2,instance)
dUpper(1:ns,1) = lattice_mu(ph) * burgers(1:ns,instance) & dUpper(1:ns,1) = lattice_mu(ph) * prm%burgers(1:ns) &
/ (8.0_pReal * pi * (1.0_pReal - lattice_nu(ph)) * abs(tau)) / (8.0_pReal * pi * (1.0_pReal - lattice_nu(ph)) * abs(tau))
dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) & dUpper(1:ns,2) = lattice_mu(ph) * prm%burgers(1:ns) &
/ (4.0_pReal * pi * abs(tau)) / (4.0_pReal * pi * abs(tau))
forall (c = 1_pInt:2_pInt) forall (c = 1_pInt:2_pInt)
where(dNeq0(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+abs(rhoSgl(1:ns,2*c+3))& where(dNeq0(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+abs(rhoSgl(1:ns,2*c+3))&