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DAMASK_EICMD
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This commit is contained in:
Martin Diehl 2019-02-18 10:28:08 +01:00
parent 435dce220c
commit ae9d8e4e8d
2 changed files with 68 additions and 153 deletions
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8
src/lattice.f90
View File

@ -30,7 +30,6 @@ module lattice
lattice_sn, & !< normal direction of slip system lattice_sn, & !< normal direction of slip system
lattice_st, & !< sd x sn lattice_st, & !< sd x sn
lattice_sd !< slip direction of slip system lattice_sd !< slip direction of slip system
! END DEPRECATED ! END DEPRECATED
@ -273,7 +272,7 @@ module lattice
-2, 1, 1, 3, 2, -1, -1, 2, & -2, 1, 1, 3, 2, -1, -1, 2, &
1, -2, 1, 3, -1, 2, -1, 2, & 1, -2, 1, 3, -1, 2, -1, 2, &
1, 1, -2, 3, -1, -1, 2, 2 & 1, 1, -2, 3, -1, -1, 2, 2 &
],pReal),shape(LATTICE_HEX_SYSTEMSLIP)) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr ],pReal),shape(LATTICE_HEX_SYSTEMSLIP)) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr
character(len=*), dimension(6), parameter, private :: LATTICE_HEX_SLIPFAMILY_NAME = & character(len=*), dimension(6), parameter, private :: LATTICE_HEX_SLIPFAMILY_NAME = &
['<1 1 . 1>{0 0 . 1} ', & ['<1 1 . 1>{0 0 . 1} ', &
@ -313,7 +312,7 @@ module lattice
-2, 1, 1, -3, -2, 1, 1, 2, & -2, 1, 1, -3, -2, 1, 1, 2, &
1, -2, 1, -3, 1, -2, 1, 2, & 1, -2, 1, -3, 1, -2, 1, 2, &
1, 1, -2, -3, 1, 1, -2, 2 & 1, 1, -2, -3, 1, 1, -2, 2 &
],pReal),shape(LATTICE_HEX_SYSTEMTWIN)) !< twin systems for hex, order follows Prof. Tom Bieler's scheme; but numbering in data was restarted from 1 ],pReal),shape(LATTICE_HEX_SYSTEMTWIN)) !< twin systems for hex, order follows Prof. Tom Bieler's scheme
character(len=*), dimension(4), parameter, private :: LATTICE_HEX_TWINFAMILY_NAME = & character(len=*), dimension(4), parameter, private :: LATTICE_HEX_TWINFAMILY_NAME = &
['<-1 0 . 1>{1 0 . 2} ', & ['<-1 0 . 1>{1 0 . 2} ', &
@ -406,7 +405,7 @@ module lattice
1,-1, 1, -2,-1, 1, & 1,-1, 1, -2,-1, 1, &
-1, 1, 1, -1,-2, 1, & -1, 1, 1, -1,-2, 1, &
1, 1, 1, 1,-2, 1 & 1, 1, 1, 1,-2, 1 &
],pReal),[ 3_pInt + 3_pInt,LATTICE_bct_Nslip]) !< slip systems for bct sorted by Bieler ],pReal),[ 3_pInt + 3_pInt,LATTICE_bct_Nslip]) !< slip systems for bct sorted by Bieler
character(len=*), dimension(13), parameter, private :: LATTICE_BCT_SLIPFAMILY_NAME = & character(len=*), dimension(13), parameter, private :: LATTICE_BCT_SLIPFAMILY_NAME = &
['{1 0 0)<0 0 1] ', & ['{1 0 0)<0 0 1] ', &
@ -495,6 +494,7 @@ module lattice
LATTICE_bct_ID, & LATTICE_bct_ID, &
LATTICE_ort_ID LATTICE_ort_ID
end enum end enum
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: & integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: &
lattice_structure, trans_lattice_structure lattice_structure, trans_lattice_structure

211
src/plastic_nonlocal.f90
View File

@ -51,11 +51,8 @@ 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
selfDiffusionEnergy, & !< activation enthalpy for diffusion
aTolRho, & !< absolute tolerance for dislocation density in state integration aTolRho, & !< absolute tolerance for dislocation density in state integration
aTolShear, & !< absolute tolerance for accumulated shear in state integration aTolShear, & !< absolute tolerance for accumulated shear in state integration
significantRho, & !< density considered significant
significantN, & !< number of dislocations considered significant
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 doublekinkwidth, & !< width of a doubkle kink in multiples of the burgers vector length b
solidSolutionEnergy, & !< activation energy for solid solution in J solidSolutionEnergy, & !< activation energy for solid solution in J
@ -63,8 +60,6 @@ module plastic_nonlocal
solidSolutionConcentration, & !< concentration of solid solution in atomic parts 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)
viscosity, & !< viscosity for dislocation glide in Pa s
fattack, & !< attack frequency in Hz
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)
@ -72,8 +67,7 @@ module plastic_nonlocal
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, & linetensionEffect
edgeJogFactor
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
@ -204,9 +198,6 @@ module plastic_nonlocal
interactionSlipSlip ,& !< coefficients for slip-slip interaction for each interaction type and instance interactionSlipSlip ,& !< coefficients for slip-slip interaction for each interaction type and instance
forestProjectionEdge, & !< matrix of forest projections of edge dislocations for each instance forestProjectionEdge, & !< matrix of forest projections of edge dislocations for each instance
forestProjectionScrew !< matrix of forest projections of screw dislocations for each instance forestProjectionScrew !< matrix of forest projections of screw dislocations for each instance
integer(pInt), dimension(:), allocatable, private :: &
iGamma, & !< state indices for accumulated shear
iRhoF !< state indices for forest density
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
nonSchmidCoeff nonSchmidCoeff
integer(pInt) :: totalNslip integer(pInt) :: totalNslip
@ -310,12 +301,9 @@ integer(pInt) :: phase, &
s, & ! index of my slip system s, & ! index of my slip system
s1, & ! index of my slip system s1, & ! index of my slip system
s2, & ! index of my slip system s2, & ! index of my slip system
it, & ! index of my interaction type
t, & ! index of dislocation type t, & ! index of dislocation type
c, & ! index of dislocation character c, & ! index of dislocation character
Nchunks_SlipSlip = 0_pInt, & Nchunks_SlipFamilies
Nchunks_SlipFamilies = 0_pInt, &
mySize = 0_pInt ! to suppress warnings, safe as init is called only once
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
@ -354,11 +342,8 @@ 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(selfDiffusionEnergy(maxNinstances), source=0.0_pReal)
allocate(aTolRho(maxNinstances), source=0.0_pReal) allocate(aTolRho(maxNinstances), source=0.0_pReal)
allocate(aTolShear(maxNinstances), source=0.0_pReal) allocate(aTolShear(maxNinstances), source=0.0_pReal)
allocate(significantRho(maxNinstances), source=0.0_pReal)
allocate(significantN(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(doublekinkwidth(maxNinstances), source=0.0_pReal)
allocate(solidSolutionEnergy(maxNinstances), source=0.0_pReal) allocate(solidSolutionEnergy(maxNinstances), source=0.0_pReal)
@ -366,8 +351,6 @@ allocate(solidSolutionSize(maxNinstances), source=0.0_pReal)
allocate(solidSolutionConcentration(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(viscosity(maxNinstances), source=0.0_pReal)
allocate(fattack(maxNinstances), source=0.0_pReal)
allocate(rhoSglScatter(maxNinstances), source=0.0_pReal) allocate(rhoSglScatter(maxNinstances), source=0.0_pReal)
allocate(rhoSglRandom(maxNinstances), source=0.0_pReal) allocate(rhoSglRandom(maxNinstances), source=0.0_pReal)
allocate(rhoSglRandomBinning(maxNinstances), source=1.0_pReal) allocate(rhoSglRandomBinning(maxNinstances), source=1.0_pReal)
@ -376,7 +359,6 @@ allocate(grainboundaryTransmissivity(maxNinstances), source=-1.0_pReal)
allocate(CFLfactor(maxNinstances), source=2.0_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(linetensionEffect(maxNinstances), source=0.0_pReal)
allocate(edgeJogFactor(maxNinstances), source=1.0_pReal)
allocate(shortRangeStressCorrection(maxNinstances), source=.false.) allocate(shortRangeStressCorrection(maxNinstances), source=.false.)
allocate(probabilisticMultiplication(maxNinstances), source=.false.) allocate(probabilisticMultiplication(maxNinstances), source=.false.)
@ -469,20 +451,12 @@ 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('selfdiffusionenergy','qsd')
selfDiffusionEnergy(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('atol_rho','atol_density','absolutetolerancedensity','absolutetolerance_density') case('atol_rho','atol_density','absolutetolerancedensity','absolutetolerance_density')
aTolRho(instance) = IO_floatValue(line,chunkPos,2_pInt) aTolRho(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('atol_shear','atol_plasticshear','atol_accumulatedshear','absolutetoleranceshear','absolutetolerance_shear') case('atol_shear','atol_plasticshear','atol_accumulatedshear','absolutetoleranceshear','absolutetolerance_shear')
aTolShear(instance) = IO_floatValue(line,chunkPos,2_pInt) aTolShear(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('significantrho','significant_rho','significantdensity','significant_density')
significantRho(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('significantn','significant_n','significantdislocations','significant_dislcations')
significantN(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('linetension','linetensioneffect','linetension_effect') case('linetension','linetensioneffect','linetension_effect')
linetensionEffect(instance) = IO_floatValue(line,chunkPos,2_pInt) linetensionEffect(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('edgejog','edgejogs','edgejogeffect','edgejog_effect')
edgeJogFactor(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)
@ -503,10 +477,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
pParam(instance) = IO_floatValue(line,chunkPos,2_pInt) pParam(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('q') case('q')
qParam(instance) = IO_floatValue(line,chunkPos,2_pInt) qParam(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('viscosity','glideviscosity')
viscosity(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('attackfrequency','fattack')
fattack(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('rhosglscatter') case('rhosglscatter')
rhoSglScatter(instance) = IO_floatValue(line,chunkPos,2_pInt) rhoSglScatter(instance) = IO_floatValue(line,chunkPos,2_pInt)
case('rhosglrandom') case('rhosglrandom')
@ -564,24 +534,16 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
enddo enddo
if (linetensionEffect(instance) < 0.0_pReal .or. linetensionEffect(instance) > 1.0_pReal) & if (linetensionEffect(instance) < 0.0_pReal .or. linetensionEffect(instance) > 1.0_pReal) &
call IO_error(211_pInt,ext_msg='linetension ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='linetension ('//PLASTICITY_NONLOCAL_label//')')
if (edgeJogFactor(instance) < 0.0_pReal .or. edgeJogFactor(instance) > 1.0_pReal) &
call IO_error(211_pInt,ext_msg='edgejog ('//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 (selfDiffusionEnergy(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='selfDiffusionEnergy ('//PLASTICITY_NONLOCAL_label//')')
if (aTolRho(instance) <= 0.0_pReal) & if (aTolRho(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='aTol_rho ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='aTol_rho ('//PLASTICITY_NONLOCAL_label//')')
if (aTolShear(instance) <= 0.0_pReal) & if (aTolShear(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='aTol_shear ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='aTol_shear ('//PLASTICITY_NONLOCAL_label//')')
if (significantRho(instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='significantRho ('//PLASTICITY_NONLOCAL_label//')')
if (significantN(instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='significantN ('//PLASTICITY_NONLOCAL_label//')')
if (doublekinkwidth(instance) <= 0.0_pReal) & if (doublekinkwidth(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='doublekinkwidth ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='doublekinkwidth ('//PLASTICITY_NONLOCAL_label//')')
if (solidSolutionEnergy(instance) <= 0.0_pReal) & if (solidSolutionEnergy(instance) <= 0.0_pReal) &
@ -594,10 +556,6 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
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) &
call IO_error(211_pInt,ext_msg='q ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='q ('//PLASTICITY_NONLOCAL_label//')')
if (viscosity(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='viscosity ('//PLASTICITY_NONLOCAL_label//')')
if (fattack(instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='attackFrequency ('//PLASTICITY_NONLOCAL_label//')')
if (rhoSglScatter(instance) < 0.0_pReal) & if (rhoSglScatter(instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='rhoSglScatter ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='rhoSglScatter ('//PLASTICITY_NONLOCAL_label//')')
if (rhoSglRandom(instance) < 0.0_pReal) & if (rhoSglRandom(instance) < 0.0_pReal) &
@ -930,6 +888,15 @@ param(instance)%probabilisticMultiplication = .false.
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
if ( prm%viscosity <= 0.0_pReal) extmsg = trim(extmsg)//' viscosity'
if ( prm%significantN < 0.0_pReal) extmsg = trim(extmsg)//' significantN'
if ( prm%significantrho < 0.0_pReal) extmsg = trim(extmsg)//' significantrho'
if ( prm%selfDiffusionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' selfDiffusionEnergy'
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'
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)
@ -1037,8 +1004,7 @@ use IO, only: IO_error
use lattice, only: lattice_maxNslipFamily use lattice, only: lattice_maxNslipFamily
use math, only: math_sampleGaussVar use math, only: math_sampleGaussVar
use mesh, only: mesh_ipVolume, & use mesh, only: mesh_ipVolume, &
theMesh, & theMesh
mesh_element
use material, only: material_phase, & use material, only: material_phase, &
phase_plasticityInstance, & phase_plasticityInstance, &
plasticState, & plasticState, &
@ -1190,7 +1156,6 @@ use debug, only: &
debug_e debug_e
use mesh, only: & use mesh, only: &
theMesh, & theMesh, &
mesh_element, &
mesh_ipNeighborhood, & mesh_ipNeighborhood, &
mesh_ipCoordinates, & mesh_ipCoordinates, &
mesh_ipVolume, & mesh_ipVolume, &
@ -1205,8 +1170,6 @@ use material, only: &
use lattice, only: & use lattice, only: &
lattice_sd, & lattice_sd, &
lattice_st, & lattice_st, &
lattice_mu, &
lattice_nu, &
lattice_structure, & lattice_structure, &
LATTICE_bcc_ID, & LATTICE_bcc_ID, &
LATTICE_fcc_ID LATTICE_fcc_ID
@ -1314,16 +1277,16 @@ myInteractionMatrix = 0.0_pReal
myInteractionMatrix(1:ns,1:ns) = prm%interactionSlipSlip(1:ns,1:ns) myInteractionMatrix(1:ns,1:ns) = prm%interactionSlipSlip(1:ns,1:ns)
if (lattice_structure(ph) == LATTICE_bcc_ID .or. lattice_structure(ph) == LATTICE_fcc_ID) then ! only fcc and bcc if (lattice_structure(ph) == LATTICE_bcc_ID .or. lattice_structure(ph) == LATTICE_fcc_ID) then ! only fcc and bcc
do s = 1_pInt,ns do s = 1_pInt,ns
myRhoForest = max(rhoForest(s),significantRho(instance)) myRhoForest = max(rhoForest(s),prm%significantRho)
correction = ( 1.0_pReal - linetensionEffect(instance) & correction = ( 1.0_pReal - prm%linetensionEffect &
+ linetensionEffect(instance) & + prm%linetensionEffect &
* log(0.35_pReal * burgers(s,instance) * sqrt(myRhoForest)) & * log(0.35_pReal * prm%burgers(s) * sqrt(myRhoForest)) &
/ log(0.35_pReal * burgers(s,instance) * 1e6_pReal)) ** 2.0_pReal / log(0.35_pReal * prm%burgers(s) * 1e6_pReal)) ** 2.0_pReal
myInteractionMatrix(s,1:ns) = correction * myInteractionMatrix(s,1:ns) myInteractionMatrix(s,1:ns) = correction * myInteractionMatrix(s,1:ns)
enddo enddo
endif endif
forall (s = 1_pInt:ns) & forall (s = 1_pInt:ns) &
tauThreshold(s) = lattice_mu(ph) * burgers(s,instance) & tauThreshold(s) = prm%mu * prm%burgers(s) &
* sqrt(dot_product((sum(abs(rhoSgl),2) + sum(abs(rhoDip),2)), myInteractionMatrix(s,1:ns))) * sqrt(dot_product((sum(abs(rhoSgl),2) + sum(abs(rhoDip),2)), myInteractionMatrix(s,1:ns)))
@ -1349,12 +1312,8 @@ if (.not. phase_localPlasticity(ph) .and. prm%shortRangeStressCorrection) then
np = phaseAt(1,neighbor_ip,neighbor_el) np = phaseAt(1,neighbor_ip,neighbor_el)
no = phasememberAt(1,neighbor_ip,neighbor_el) no = phasememberAt(1,neighbor_ip,neighbor_el)
if (neighbor_el > 0 .and. neighbor_ip > 0) then if (neighbor_el > 0 .and. neighbor_ip > 0) then
neighbor_phase = material_phase(1,neighbor_ip,neighbor_el) neighbor_instance = phase_plasticityInstance(material_phase(1,neighbor_ip,neighbor_el))
neighbor_instance = phase_plasticityInstance(neighbor_phase) if (neighbor_instance == instance) then ! same instance should be same structure
neighbor_ns = totalNslip(neighbor_instance)
if (.not. phase_localPlasticity(neighbor_phase) &
.and. neighbor_instance == instance) then ! same instance should be same structure
if (neighbor_ns == ns) then
nRealNeighbors = nRealNeighbors + 1_pInt nRealNeighbors = nRealNeighbors + 1_pInt
forall (s = 1_pInt:ns, c = 1_pInt:2_pInt) forall (s = 1_pInt:ns, c = 1_pInt:2_pInt)
@ -1376,10 +1335,6 @@ if (.not. phase_localPlasticity(ph) .and. prm%shortRangeStressCorrection) then
if (math_mul3x3(normal_latticeConf,connection_latticeConf(1:3,n)) < 0.0_pReal) & ! neighboring connection points in opposite direction to face normal: must be periodic image if (math_mul3x3(normal_latticeConf,connection_latticeConf(1:3,n)) < 0.0_pReal) & ! neighboring connection points in opposite direction to face normal: must be periodic image
connection_latticeConf(1:3,n) = normal_latticeConf * mesh_ipVolume(ip,el) & connection_latticeConf(1:3,n) = normal_latticeConf * mesh_ipVolume(ip,el) &
/ mesh_ipArea(n,ip,el) ! instead take the surface normal scaled with the diameter of the cell / mesh_ipArea(n,ip,el) ! instead take the surface normal scaled with the diameter of the cell
else
! different number of active slip systems
call IO_error(-1_pInt,ext_msg='different number of active slip systems in neighboring IPs of same crystal structure')
endif
else else
! local neighbor or different lattice structure or different constitution instance -> use central values instead ! local neighbor or different lattice structure or different constitution instance -> use central values instead
connection_latticeConf(1:3,n) = 0.0_pReal connection_latticeConf(1:3,n) = 0.0_pReal
@ -1438,8 +1393,8 @@ if (.not. phase_localPlasticity(ph) .and. prm%shortRangeStressCorrection) then
!* gives the local stress correction when multiplied with a factor !* gives the local stress correction when multiplied with a factor
tauBack(s) = - lattice_mu(ph) * burgers(s,instance) / (2.0_pReal * pi) & tauBack(s) = - prm%mu * prm%burgers(s) / (2.0_pReal * pi) &
* (rhoExcessGradient_over_rho(1) / (1.0_pReal - lattice_nu(ph)) & * (rhoExcessGradient_over_rho(1) / (1.0_pReal - prm%nu) &
+ rhoExcessGradient_over_rho(2)) + rhoExcessGradient_over_rho(2))
enddo enddo
@ -1528,6 +1483,7 @@ real(pReal) tauRel_P, &
instance = phase_plasticityInstance(material_phase(1_pInt,ip,el)) instance = phase_plasticityInstance(material_phase(1_pInt,ip,el))
ns = totalNslip(instance) ns = totalNslip(instance)
associate(prm => param(instance))
v = 0.0_pReal v = 0.0_pReal
dv_dtau = 0.0_pReal dv_dtau = 0.0_pReal
dv_dtauNS = 0.0_pReal dv_dtauNS = 0.0_pReal
@ -1549,7 +1505,7 @@ if (Temperature > 0.0_pReal) then
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
tPeierls = 1.0_pReal / fattack(instance) & tPeierls = 1.0_pReal / prm%fattack &
* exp(activationEnergy_P / (KB * Temperature) & * exp(activationEnergy_P / (KB * Temperature) &
* (1.0_pReal - tauRel_P**pParam(instance))**qParam(instance)) * (1.0_pReal - tauRel_P**pParam(instance))**qParam(instance))
if (tauEff < criticalStress_P) then if (tauEff < criticalStress_P) then
@ -1572,7 +1528,7 @@ if (Temperature > 0.0_pReal) then
activationEnergy_S = solidSolutionEnergy(instance) activationEnergy_S = solidSolutionEnergy(instance)
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 / fattack(instance) & tSolidSolution = 1.0_pReal / prm%fattack &
* exp(activationEnergy_S / (KB * Temperature) & * exp(activationEnergy_S / (KB * Temperature) &
* (1.0_pReal - tauRel_S**pParam(instance))**qParam(instance)) * (1.0_pReal - tauRel_S**pParam(instance))**qParam(instance))
if (tauEff < criticalStress_S) then if (tauEff < criticalStress_S) then
@ -1588,7 +1544,7 @@ 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) / viscosity(instance) mobility = burgers(s,instance) / prm%viscosity
vViscous = mobility * tauEff vViscous = mobility * tauEff
@ -1620,6 +1576,7 @@ endif
endif endif
#endif #endif
end associate
end subroutine plastic_nonlocal_kinetics end subroutine plastic_nonlocal_kinetics
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1667,8 +1624,7 @@ integer(pInt) instance, &
ph, & !phase number ph, & !phase number
of, & !offset of, & !offset
t, & !< dislocation type t, & !< dislocation type
s, & !< index of my current slip system s !< index of my current slip system
sLattice !< index of my current slip system according to lattice order
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),8) :: & real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),8) :: &
rhoSgl !< single dislocation densities (including blocked) rhoSgl !< single dislocation densities (including blocked)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),4) :: & real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),4) :: &
@ -1698,8 +1654,8 @@ forall (s = 1_pInt:ns, t = 1_pInt:4_pInt)
rhoSgl(s,t) = max(plasticState(ph)%state(iRhoU(s,t,instance),of), 0.0_pReal) ! ensure positive single mobile densities rhoSgl(s,t) = max(plasticState(ph)%state(iRhoU(s,t,instance),of), 0.0_pReal) ! ensure positive single mobile densities
rhoSgl(s,t+4_pInt) = plasticState(ph)%state(iRhoB(s,t,instance),of) rhoSgl(s,t+4_pInt) = plasticState(ph)%state(iRhoB(s,t,instance),of)
endforall endforall
where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < significantN(instance) & where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < prm%significantN &
.or. abs(rhoSgl) < significantRho(instance)) & .or. abs(rhoSgl) < prm%significantRho) &
rhoSgl = 0.0_pReal rhoSgl = 0.0_pReal
tauBack = plasticState(ph)%state(iTauB(1:ns,instance),of) tauBack = plasticState(ph)%state(iTauB(1:ns,instance),of)
@ -1818,8 +1774,6 @@ use debug, only: debug_level, &
debug_e debug_e
use math, only: pi, & use math, only: pi, &
math_mul33xx33 math_mul33xx33
use lattice, only: lattice_mu, &
lattice_nu
use mesh, only: mesh_ipVolume use mesh, only: mesh_ipVolume
use material, only: material_phase, & use material, only: material_phase, &
plasticState, & plasticState, &
@ -1887,11 +1841,11 @@ forall (s = 1_pInt:ns, c = 1_pInt:2_pInt)
endforall endforall
tauBack = plasticState(ph)%state(iTauB(1:ns,instance),of) tauBack = plasticState(ph)%state(iTauB(1:ns,instance),of)
where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < significantN(instance) & where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < prm%significantN &
.or. abs(rhoSgl) < significantRho(instance)) & .or. abs(rhoSgl) < prm%significantRho) &
rhoSgl = 0.0_pReal rhoSgl = 0.0_pReal
where (abs(rhoDip) * mesh_ipVolume(ip,el) ** 0.667_pReal < significantN(instance) & where (abs(rhoDip) * mesh_ipVolume(ip,el) ** 0.667_pReal < prm%significantN &
.or. abs(rhoDip) < significantRho(instance)) & .or. abs(rhoDip) < prm%significantRho) &
rhoDip = 0.0_pReal rhoDip = 0.0_pReal
@ -1919,14 +1873,14 @@ enddo
!*** calculate limits for stable dipole height !*** calculate limits for stable dipole height
do s = 1_pInt,ns do s = 1_pInt,prm%totalNslip
tau(s) = math_mul33xx33(Mp, prm%Schmid(1:3,1:3,s)) + tauBack(s) tau(s) = math_mul33xx33(Mp, prm%Schmid(1:3,1:3,s)) + tauBack(s)
if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
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) = prm%mu * prm%burgers &
/ (8.0_pReal * pi * (1.0_pReal - lattice_nu(ph)) * abs(tau)) / (8.0_pReal * PI * (1.0_pReal - prm%nu) * abs(tau))
dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) / (4.0_pReal * pi * abs(tau)) dUpper(1:ns,2) = prm%mu * prm%burgers / (4.0_pReal * PI * abs(tau))
forall (c = 1_pInt:2_pInt) forall (c = 1_pInt:2_pInt)
@ -1995,7 +1949,6 @@ use, intrinsic :: &
use prec, only: dNeq0, & use prec, only: dNeq0, &
dNeq, & dNeq, &
dEq0 dEq0
use numerics, only: numerics_timeSyncing
use IO, only: IO_error use IO, only: IO_error
use debug, only: debug_level, & use debug, only: debug_level, &
debug_constitutive, & debug_constitutive, &
@ -2013,7 +1966,6 @@ use math, only: math_mul3x3, &
math_det33, & math_det33, &
pi pi
use mesh, only: theMesh, & use mesh, only: theMesh, &
mesh_element, &
mesh_ipNeighborhood, & mesh_ipNeighborhood, &
mesh_ipVolume, & mesh_ipVolume, &
mesh_ipArea, & mesh_ipArea, &
@ -2069,8 +2021,7 @@ integer(pInt) :: ph, &
p,& !< phase shortcut p,& !< phase shortcut
np,& !< neighbour phase shortcut np,& !< neighbour phase shortcut
topp, & !< type of dislocation with opposite sign to t topp, & !< type of dislocation with opposite sign to t
s, & !< index of my current slip system s !< index of my current slip system
sLattice !< index of my current slip system according to lattice order
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),10) :: & real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),10) :: &
rhoDot, & !< density evolution rhoDot, & !< density evolution
rhoDotMultiplication, & !< density evolution by multiplication rhoDotMultiplication, & !< density evolution by multiplication
@ -2086,7 +2037,6 @@ real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt
my_rhoSgl !< single dislocation densities of central ip (positive/negative screw and edge without dipoles) my_rhoSgl !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),4) :: & real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),4) :: &
v, & !< current dislocation glide velocity v, & !< current dislocation glide velocity
v0, & !< dislocation glide velocity at start of cryst inc
my_v, & !< dislocation glide velocity of central ip my_v, & !< dislocation glide velocity of central ip
neighbor_v, & !< dislocation glide velocity of enighboring ip neighbor_v, & !< dislocation glide velocity of enighboring ip
gdot !< shear rates gdot !< shear rates
@ -2161,26 +2111,13 @@ tauBack = plasticState(p)%state(iTauB(1:ns,instance),o)
rhoSglOriginal = rhoSgl rhoSglOriginal = rhoSgl
rhoDipOriginal = rhoDip rhoDipOriginal = rhoDip
where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < significantN(instance) & where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < prm%significantN &
.or. abs(rhoSgl) < significantRho(instance)) & .or. abs(rhoSgl) < prm%significantRho) &
rhoSgl = 0.0_pReal rhoSgl = 0.0_pReal
where (abs(rhoDip) * mesh_ipVolume(ip,el) ** 0.667_pReal < significantN(instance) & where (abs(rhoDip) * mesh_ipVolume(ip,el) ** 0.667_pReal < prm%significantN &
.or. abs(rhoDip) < significantRho(instance)) & .or. abs(rhoDip) < prm%significantRho) &
rhoDip = 0.0_pReal rhoDip = 0.0_pReal
if (numerics_timeSyncing) then
forall (s = 1_pInt:ns, t = 1_pInt:4_pInt)
rhoSgl0(s,t) = max(plasticState(p)%state0(iRhoU(s,t,instance),o), 0.0_pReal)
rhoSgl0(s,t+4_pInt) = plasticState(p)%state0(iRhoB(s,t,instance),o)
v0(s,t) = plasticState(p)%state0(iV (s,t,instance),o)
endforall
where (abs(rhoSgl0) * mesh_ipVolume(ip,el) ** 0.667_pReal < significantN(instance) &
.or. abs(rhoSgl0) < significantRho(instance)) &
rhoSgl0 = 0.0_pReal
endif
!*** sanity check for timestep !*** sanity check for timestep
if (timestep <= 0.0_pReal) then ! if illegal timestep... Why here and not on function entry?? if (timestep <= 0.0_pReal) then ! if illegal timestep... Why here and not on function entry??
@ -2194,7 +2131,7 @@ endif
!*** Calculate shear rate !*** Calculate shear rate
forall (t = 1_pInt:4_pInt) & forall (t = 1_pInt:4_pInt) &
gdot(1_pInt:ns,t) = rhoSgl(1_pInt:ns,t) * burgers(1:ns,instance) * v(1:ns,t) gdot(1_pInt:ns,t) = rhoSgl(1_pInt:ns,t) * prm%burgers(1:ns) * v(1:ns,t)
#ifdef DEBUG #ifdef DEBUG
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt &
@ -2365,23 +2302,14 @@ if (.not. phase_localPlasticity(material_phase(1_pInt,ip,el))) then
endif endif
if (considerEnteringFlux) then if (considerEnteringFlux) then
if(numerics_timeSyncing .and. (dNeq(subfrac(1,neighbor_ip,neighbor_el),subfrac(1,ip,el)))) then ! for timesyncing: in case of a timestep at the interface we have to use "state0" to make sure that fluxes n both sides are equal
forall (s = 1:ns, t = 1_pInt:4_pInt)
neighbor_v(s,t) = plasticState(np)%state0(iV (s,t,neighbor_instance),no)
neighbor_rhoSgl(s,t) = max(plasticState(np)%state0(iRhoU(s,t,neighbor_instance),no),0.0_pReal)
endforall
else
forall (s = 1:ns, t = 1_pInt:4_pInt) forall (s = 1:ns, t = 1_pInt:4_pInt)
neighbor_v(s,t) = plasticState(np)%state(iV (s,t,neighbor_instance),no) neighbor_v(s,t) = plasticState(np)%state(iV (s,t,neighbor_instance),no)
neighbor_rhoSgl(s,t) = max(plasticState(np)%state(iRhoU(s,t,neighbor_instance),no), & neighbor_rhoSgl(s,t) = max(plasticState(np)%state(iRhoU(s,t,neighbor_instance),no), &
0.0_pReal) 0.0_pReal)
endforall endforall
endif
where (neighbor_rhoSgl * mesh_ipVolume(neighbor_ip,neighbor_el) ** 0.667_pReal < significantN(instance) & where (neighbor_rhoSgl * mesh_ipVolume(neighbor_ip,neighbor_el) ** 0.667_pReal < prm%significantN &
.or. neighbor_rhoSgl < significantRho(instance)) & .or. neighbor_rhoSgl < prm%significantRho) &
neighbor_rhoSgl = 0.0_pReal neighbor_rhoSgl = 0.0_pReal
normal_neighbor2me_defConf = math_det33(Favg) * math_mul33x3(math_inv33(transpose(Favg)), & normal_neighbor2me_defConf = math_det33(Favg) * math_mul33x3(math_inv33(transpose(Favg)), &
mesh_ipAreaNormal(1:3,neighbor_n,neighbor_ip,neighbor_el)) ! calculate the normal of the interface in (average) deformed configuration (now pointing from my neighbor to me!!!) mesh_ipAreaNormal(1:3,neighbor_n,neighbor_ip,neighbor_el)) ! calculate the normal of the interface in (average) deformed configuration (now pointing from my neighbor to me!!!)
@ -2433,17 +2361,6 @@ if (.not. phase_localPlasticity(material_phase(1_pInt,ip,el))) then
!* use "state0" to make sure that fluxes on both sides of the (potential) timestep are equal. !* use "state0" to make sure that fluxes on both sides of the (potential) timestep are equal.
my_rhoSgl = rhoSgl my_rhoSgl = rhoSgl
my_v = v my_v = v
if(numerics_timeSyncing) then
if (dEq0(subfrac(1_pInt,ip,el))) then
my_rhoSgl = rhoSgl0
my_v = v0
elseif (neighbor_n > 0_pInt) then
if (dEq0(subfrac(1_pInt,neighbor_ip,neighbor_el))) then
my_rhoSgl = rhoSgl0
my_v = v0
endif
endif
endif
normal_me2neighbor_defConf = math_det33(Favg) & normal_me2neighbor_defConf = math_det33(Favg) &
* math_mul33x3(math_inv33(transpose(Favg)), & * math_mul33x3(math_inv33(transpose(Favg)), &
@ -2483,20 +2400,20 @@ endif
!*** formation by glide !*** formation by glide
do c = 1_pInt,2_pInt do c = 1_pInt,2_pInt
rhoDotSingle2DipoleGlide(1:ns,2*c-1) = -2.0_pReal * dUpper(1:ns,c) / burgers(1:ns,instance) & rhoDotSingle2DipoleGlide(1:ns,2*c-1) = -2.0_pReal * dUpper(1:ns,c) / prm%burgers(1:ns) &
* (rhoSgl(1:ns,2*c-1) * abs(gdot(1:ns,2*c)) & ! negative mobile --> positive mobile * (rhoSgl(1:ns,2*c-1) * abs(gdot(1:ns,2*c)) & ! negative mobile --> positive mobile
+ rhoSgl(1:ns,2*c) * abs(gdot(1:ns,2*c-1)) & ! positive mobile --> negative mobile + rhoSgl(1:ns,2*c) * abs(gdot(1:ns,2*c-1)) & ! positive mobile --> negative mobile
+ abs(rhoSgl(1:ns,2*c+4)) * abs(gdot(1:ns,2*c-1))) ! positive mobile --> negative immobile + abs(rhoSgl(1:ns,2*c+4)) * abs(gdot(1:ns,2*c-1))) ! positive mobile --> negative immobile
rhoDotSingle2DipoleGlide(1:ns,2*c) = -2.0_pReal * dUpper(1:ns,c) / burgers(1:ns,instance) & rhoDotSingle2DipoleGlide(1:ns,2*c) = -2.0_pReal * dUpper(1:ns,c) / prm%burgers(1:ns) &
* (rhoSgl(1:ns,2*c-1) * abs(gdot(1:ns,2*c)) & ! negative mobile --> positive mobile * (rhoSgl(1:ns,2*c-1) * abs(gdot(1:ns,2*c)) & ! negative mobile --> positive mobile
+ rhoSgl(1:ns,2*c) * abs(gdot(1:ns,2*c-1)) & ! positive mobile --> negative mobile + rhoSgl(1:ns,2*c) * abs(gdot(1:ns,2*c-1)) & ! positive mobile --> negative mobile
+ abs(rhoSgl(1:ns,2*c+3)) * abs(gdot(1:ns,2*c))) ! negative mobile --> positive immobile + abs(rhoSgl(1:ns,2*c+3)) * abs(gdot(1:ns,2*c))) ! negative mobile --> positive immobile
rhoDotSingle2DipoleGlide(1:ns,2*c+3) = -2.0_pReal * dUpper(1:ns,c) / burgers(1:ns,instance) & rhoDotSingle2DipoleGlide(1:ns,2*c+3) = -2.0_pReal * dUpper(1:ns,c) / prm%burgers(1:ns) &
* rhoSgl(1:ns,2*c+3) * abs(gdot(1:ns,2*c)) ! negative mobile --> positive immobile * rhoSgl(1:ns,2*c+3) * abs(gdot(1:ns,2*c)) ! negative mobile --> positive immobile
rhoDotSingle2DipoleGlide(1:ns,2*c+4) = -2.0_pReal * dUpper(1:ns,c) / burgers(1:ns,instance) & rhoDotSingle2DipoleGlide(1:ns,2*c+4) = -2.0_pReal * dUpper(1:ns,c) / prm%burgers(1:ns)&
* rhoSgl(1:ns,2*c+4) * abs(gdot(1:ns,2*c-1)) ! positive mobile --> negative immobile * rhoSgl(1:ns,2*c+4) * abs(gdot(1:ns,2*c-1)) ! positive mobile --> negative immobile
rhoDotSingle2DipoleGlide(1:ns,c+8) = - rhoDotSingle2DipoleGlide(1:ns,2*c-1) & rhoDotSingle2DipoleGlide(1:ns,c+8) = - rhoDotSingle2DipoleGlide(1:ns,2*c-1) &
@ -2511,7 +2428,7 @@ enddo
rhoDotAthermalAnnihilation = 0.0_pReal rhoDotAthermalAnnihilation = 0.0_pReal
forall (c=1_pInt:2_pInt) & forall (c=1_pInt:2_pInt) &
rhoDotAthermalAnnihilation(1:ns,c+8_pInt) = -2.0_pReal * dLower(1:ns,c) / burgers(1:ns,instance) & rhoDotAthermalAnnihilation(1:ns,c+8_pInt) = -2.0_pReal * dLower(1:ns,c) / prm%burgers(1:ns) &
* ( 2.0_pReal * (rhoSgl(1:ns,2*c-1) * abs(gdot(1:ns,2*c)) + rhoSgl(1:ns,2*c) * abs(gdot(1:ns,2*c-1))) & ! was single hitting single * ( 2.0_pReal * (rhoSgl(1:ns,2*c-1) * abs(gdot(1:ns,2*c)) + rhoSgl(1:ns,2*c) * abs(gdot(1:ns,2*c-1))) & ! was single hitting single
+ 2.0_pReal * (abs(rhoSgl(1:ns,2*c+3)) * abs(gdot(1:ns,2*c)) + abs(rhoSgl(1:ns,2*c+4)) * abs(gdot(1:ns,2*c-1))) & ! was single hitting immobile single or was immobile single hit by single + 2.0_pReal * (abs(rhoSgl(1:ns,2*c+3)) * abs(gdot(1:ns,2*c)) + abs(rhoSgl(1:ns,2*c+4)) * abs(gdot(1:ns,2*c-1))) & ! was single hitting immobile single or was immobile single hit by single
+ rhoDip(1:ns,c) * (abs(gdot(1:ns,2*c-1)) + abs(gdot(1:ns,2*c)))) ! single knocks dipole constituent + rhoDip(1:ns,c) * (abs(gdot(1:ns,2*c-1)) + abs(gdot(1:ns,2*c)))) ! single knocks dipole constituent
@ -2519,16 +2436,16 @@ forall (c=1_pInt:2_pInt) &
if (lattice_structure(ph) == LATTICE_fcc_ID) & ! only fcc if (lattice_structure(ph) == LATTICE_fcc_ID) & ! only fcc
forall (s = 1:ns, colinearSystem(s,instance) > 0_pInt) & forall (s = 1:ns, colinearSystem(s,instance) > 0_pInt) &
rhoDotAthermalAnnihilation(colinearSystem(s,instance),1:2) = - rhoDotAthermalAnnihilation(s,10) & rhoDotAthermalAnnihilation(colinearSystem(s,instance),1:2) = - rhoDotAthermalAnnihilation(s,10) &
* 0.25_pReal * sqrt(rhoForest(s)) * (dUpper(s,2) + dLower(s,2)) * edgeJogFactor(instance) * 0.25_pReal * sqrt(rhoForest(s)) * (dUpper(s,2) + dLower(s,2)) * prm%edgeJogFactor
!*** thermally activated annihilation of edge dipoles by climb !*** thermally activated annihilation of edge dipoles by climb
rhoDotThermalAnnihilation = 0.0_pReal rhoDotThermalAnnihilation = 0.0_pReal
selfDiffusion = Dsd0(instance) * exp(-selfDiffusionEnergy(instance) / (KB * Temperature)) selfDiffusion = prm%Dsd0 * exp(-prm%selfDiffusionEnergy / (KB * Temperature))
vClimb = atomicVolume(instance) * selfDiffusion / ( KB * Temperature ) & vClimb = prm%atomicVolume * selfDiffusion / ( KB * Temperature ) &
* lattice_mu(ph) / ( 2.0_pReal * PI * (1.0_pReal-lattice_nu(ph)) ) & * prm%mu / ( 2.0_pReal * PI * (1.0_pReal-prm%nu) ) &
* 2.0_pReal / ( dUpper(1:ns,1) + dLower(1:ns,1) ) * 2.0_pReal / ( dUpper(1:ns,1) + dLower(1:ns,1) )
forall (s = 1_pInt:ns, dUpper(s,1) > dLower(s,1)) & forall (s = 1_pInt:ns, dUpper(s,1) > dLower(s,1)) &
rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * vClimb(s) / (dUpper(s,1) - dLower(s,1)), & rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * vClimb(s) / (dUpper(s,1) - dLower(s,1)), &
@ -2621,8 +2538,7 @@ use material, only: material_phase, &
phase_localPlasticity, & phase_localPlasticity, &
phase_plasticityInstance, & phase_plasticityInstance, &
homogenization_maxNgrains homogenization_maxNgrains
use mesh, only: mesh_element, & use mesh, only: mesh_ipNeighborhood, &
mesh_ipNeighborhood, &
theMesh theMesh
use lattice, only: lattice_sn, & use lattice, only: lattice_sn, &
lattice_sd, & lattice_sd, &
@ -2671,7 +2587,7 @@ instance = phase_plasticityInstance(ph)
ns = totalNslip(instance) ns = totalNslip(instance)
slipNormal(1:3,1:ns) = lattice_sn(1:3, slipSystemLattice(1:ns,instance), ph) slipNormal(1:3,1:ns) = lattice_sn(1:3, slipSystemLattice(1:ns,instance), ph)
slipDirection(1:3,1:ns) = lattice_sd(1:3, slipSystemLattice(1:ns,instance), ph) slipDirection(1:3,1:ns) = lattice_sd(1:3, slipSystemLattice(1:ns,instance), ph)
associate(prm => param(instance))
!*** start out fully compatible !*** start out fully compatible
@ -2689,7 +2605,7 @@ neighbors: do n = 1_pInt,Nneighbors
!* Set surface transmissivity to the value specified in the material.config !* Set surface transmissivity to the value specified in the material.config
if (neighbor_e <= 0_pInt .or. neighbor_i <= 0_pInt) then if (neighbor_e <= 0_pInt .or. neighbor_i <= 0_pInt) then
forall(s1 = 1_pInt:ns) my_compatibility(1:2,s1,s1,n) = sqrt(surfaceTransmissivity(instance)) forall(s1 = 1_pInt:ns) my_compatibility(1:2,s1,s1,n) = sqrt(prm%surfaceTransmissivity)
cycle cycle
endif endif
@ -2711,12 +2627,12 @@ neighbors: do n = 1_pInt,Nneighbors
!* GRAIN BOUNDARY ! !* GRAIN BOUNDARY !
!* fixed transmissivity for adjacent ips with different texture (only if explicitly given in material.config) !* fixed transmissivity for adjacent ips with different texture (only if explicitly given in material.config)
if (grainboundaryTransmissivity(instance) >= 0.0_pReal) then if (prm%grainboundaryTransmissivity >= 0.0_pReal) then
neighbor_textureID = material_texture(1,neighbor_i,neighbor_e) neighbor_textureID = material_texture(1,neighbor_i,neighbor_e)
if (neighbor_textureID /= textureID) then if (neighbor_textureID /= textureID) then
if (.not. phase_localPlasticity(neighbor_phase)) then if (.not. phase_localPlasticity(neighbor_phase)) then
forall(s1 = 1_pInt:ns) & forall(s1 = 1_pInt:ns) &
my_compatibility(1:2,s1,s1,n) = sqrt(grainboundaryTransmissivity(instance)) my_compatibility(1:2,s1,s1,n) = sqrt(prm%grainboundaryTransmissivity)
endif endif
cycle cycle
endif endif
@ -2764,6 +2680,7 @@ enddo neighbors
compatibility(1:2,1:ns,1:ns,1:Nneighbors,i,e) = my_compatibility compatibility(1:2,1:ns,1:ns,1:Nneighbors,i,e) = my_compatibility
end associate
end subroutine plastic_nonlocal_updateCompatibility end subroutine plastic_nonlocal_updateCompatibility
@ -2812,8 +2729,8 @@ function plastic_nonlocal_postResults(Mp,Fe,ip,el)
o, & !< index of current output o, & !< index of current output
of,& !< offset shortcut of,& !< offset shortcut
t, & !< type of dislocation t, & !< type of dislocation
s, & !< index of my current slip system s !< index of my current slip system
sLattice !< index of my current slip system according to lattice order
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),8) :: & real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),8) :: &
rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles) rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles)
rhoDotSgl !< evolution rate of single dislocation densities (positive/negative screw and edge without dipoles) rhoDotSgl !< evolution rate of single dislocation densities (positive/negative screw and edge without dipoles)
@ -2835,8 +2752,6 @@ function plastic_nonlocal_postResults(Mp,Fe,ip,el)
m_currentconf !< direction of dislocation motion for edge and screw (unit vector) in current configuration m_currentconf !< direction of dislocation motion for edge and screw (unit vector) in current configuration
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el)))) :: & real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el)))) :: &
n_currentconf !< slip system normal (unit vector) in current configuration n_currentconf !< slip system normal (unit vector) in current configuration
real(pReal), dimension(3,3) :: &
sigma
ph = phaseAt(1,ip,el) ph = phaseAt(1,ip,el)
of = phasememberAt(1,ip,el) of = phasememberAt(1,ip,el)