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!--------------------------------------------------------------------------------------------------
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine for plasticity including dislocation flux
!--------------------------------------------------------------------------------------------------
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module plastic_nonlocal
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use prec , only : &
pReal , &
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pInt
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implicit none
private
real ( pReal ) , parameter , private :: &
KB = 1.38e-23_pReal !< Physical parameter, Boltzmann constant in J/Kelvin
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integer ( pInt ) , dimension ( : ) , allocatable , public , protected :: &
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plastic_nonlocal_sizeDotState , & !< number of dotStates = number of basic state variables
plastic_nonlocal_sizeDependentState , & !< number of dependent state variables
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plastic_nonlocal_sizeState !< total number of state variables
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integer ( pInt ) , dimension ( : , : ) , allocatable , target , public :: &
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plastic_nonlocal_sizePostResult !< size of each post result output
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character ( len = 64 ) , dimension ( : , : ) , allocatable , target , public :: &
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plastic_nonlocal_output !< name of each post result output
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integer ( pInt ) , dimension ( : , : ) , allocatable , private :: &
iGamma , & !< state indices for accumulated shear
iRhoF , & !< state indices for forest density
iTauF , & !< state indices for critical resolved shear stress
iTauB !< state indices for backstress
integer ( pInt ) , dimension ( : , : , : ) , allocatable , private :: &
iRhoU , & !< state indices for unblocked density
iRhoB , & !< state indices for blocked density
iRhoD , & !< state indices for dipole density
iV , & !< state indices for dislcation velocities
iD !< state indices for stable dipole height
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integer ( pInt ) , dimension ( : ) , allocatable , public , protected :: &
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totalNslip !< total number of active slip systems for each instance
integer ( pInt ) , dimension ( : , : ) , allocatable , private :: &
Nslip , & !< number of active slip systems for each family and instance
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!)
real ( pReal ) , dimension ( : ) , allocatable , private :: &
atomicVolume , & !< atomic volume
Dsd0 , & !< prefactor for self-diffusion coefficient
selfDiffusionEnergy , & !< activation enthalpy for diffusion
aTolRho , & !< absolute tolerance for dislocation density 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
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)
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
surfaceTransmissivity , & !< transmissivity at free surface
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)
rhoSglRandom , &
rhoSglRandomBinning , &
linetensionEffect , &
edgeJogFactor
real ( pReal ) , dimension ( : , : ) , allocatable , private :: &
rhoSglEdgePos0 , & !< initial edge_pos dislocation density per slip system for each family and instance
rhoSglEdgeNeg0 , & !< initial edge_neg dislocation density per slip system for each family and instance
rhoSglScrewPos0 , & !< initial screw_pos dislocation density per slip system for each family and instance
rhoSglScrewNeg0 , & !< initial screw_neg 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
lambda0PerSlipFamily , & !< mean free path prefactor for each family 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
interactionSlipSlip !< coefficients for slip-slip interaction for each interaction type and instance
real ( pReal ) , dimension ( : , : , : ) , allocatable , private :: &
minDipoleHeightPerSlipFamily , & !< minimum stable edge/screw dipole height for each family and instance
minDipoleHeight , & !< minimum stable edge/screw dipole height for each slip system and instance
peierlsStressPerSlipFamily , & !< Peierls stress (edge and screw)
peierlsStress , & !< Peierls stress (edge and screw)
forestProjectionEdge , & !< matrix of forest projections of edge dislocations for each instance
forestProjectionScrew , & !< matrix of forest projections of screw dislocations for each instance
interactionMatrixSlipSlip !< interaction matrix of the different slip systems for each instance
real ( pReal ) , dimension ( : , : , : , : ) , allocatable , private :: &
lattice2slip , & !< orthogonal transformation matrix from lattice coordinate system to slip coordinate system (passive rotation !!!)
rhoDotEdgeJogsOutput , &
sourceProbability
real ( pReal ) , dimension ( : , : , : , : , : ) , allocatable , private :: &
rhoDotFluxOutput , &
rhoDotMultiplicationOutput , &
rhoDotSingle2DipoleGlideOutput , &
rhoDotAthermalAnnihilationOutput , &
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rhoDotThermalAnnihilationOutput !< combined projection of Schmid and non-Schmid contributions to the resolved shear stress (only for screws)
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real ( pReal ) , dimension ( : , : , : , : , : , : ) , allocatable , private :: &
compatibility !< slip system compatibility between me and my neighbors
logical , dimension ( : ) , allocatable , private :: &
shortRangeStressCorrection , & !< flag indicating the use of the short range stress correction by a excess density gradient term
probabilisticMultiplication
enum , bind ( c )
enumerator :: undefined_ID , &
rho_sgl_edge_pos_mobile_ID , &
rho_sgl_edge_neg_mobile_ID , &
rho_sgl_screw_pos_mobile_ID , &
rho_sgl_screw_neg_mobile_ID , &
rho_sgl_edge_pos_immobile_ID , &
rho_sgl_edge_neg_immobile_ID , &
rho_sgl_screw_pos_immobile_ID , &
rho_sgl_screw_neg_immobile_ID , &
rho_dip_edge_ID , &
rho_dip_screw_ID , &
rho_forest_ID , &
shearrate_ID , &
resolvedstress_ID , &
resolvedstress_external_ID , &
resolvedstress_back_ID , &
resistance_ID , &
rho_dot_sgl_ID , &
rho_dot_sgl_mobile_ID , &
rho_dot_dip_ID , &
rho_dot_gen_ID , &
rho_dot_gen_edge_ID , &
rho_dot_gen_screw_ID , &
rho_dot_sgl2dip_edge_ID , &
rho_dot_sgl2dip_screw_ID , &
rho_dot_ann_ath_ID , &
rho_dot_ann_the_edge_ID , &
rho_dot_ann_the_screw_ID , &
rho_dot_edgejogs_ID , &
rho_dot_flux_mobile_ID , &
rho_dot_flux_edge_ID , &
rho_dot_flux_screw_ID , &
velocity_edge_pos_ID , &
velocity_edge_neg_ID , &
velocity_screw_pos_ID , &
velocity_screw_neg_ID , &
maximumdipoleheight_edge_ID , &
maximumdipoleheight_screw_ID , &
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accumulatedshear_ID
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end enum
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type , private :: tParameters !< container type for internal constitutive parameters
real ( pReal ) :: &
atomicVolume , & !< atomic volume
Dsd0 , & !< prefactor for self-diffusion coefficient
selfDiffusionEnergy , & !< activation enthalpy for diffusion
aTolRho , & !< absolute tolerance for dislocation density 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
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
p , & !< parameter for kinetic law (Kocks,Argon,Ashby)
q , & !< 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
surfaceTransmissivity , & !< transmissivity at free surface
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)
rhoSglRandom , &
rhoSglRandomBinning , &
linetensionEffect , &
edgeJogFactor , &
mu , &
nu
real ( pReal ) , dimension ( : ) , allocatable :: &
rhoSglEdgePos0 , & !< initial edge_pos dislocation density per slip system for each family and instance
rhoSglEdgeNeg0 , & !< initial edge_neg dislocation density per slip system for each family and instance
rhoSglScrewPos0 , & !< initial screw_pos dislocation density per slip system for each family and instance
rhoSglScrewNeg0 , & !< initial screw_neg 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
lambda0 , & !< mean free path prefactor for each slip system and instance
burgers !< absolute length of burgers vector [m] for each slip system and instance
real ( pReal ) , dimension ( : , : ) , allocatable :: &
interactionSlipSlip , & !< coefficients for slip-slip interaction for each interaction type and instance
forestProjectionEdge , & !< matrix of forest projections of edge 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 :: &
nonSchmidCoeff
integer ( pInt ) :: totalNslip
real ( pReal ) , dimension ( : , : , : ) , allocatable , private :: &
Schmid , & !< Schmid contribution
nonSchmid_pos , &
nonSchmid_neg !< combined projection of Schmid and non-Schmid contributions to the resolved shear stress (only for screws)
integer ( pInt ) , dimension ( : ) , allocatable , public :: &
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!)
logical , private :: &
shortRangeStressCorrection , & !< flag indicating the use of the short range stress correction by a excess density gradient term
probabilisticMultiplication
integer ( kind ( undefined_ID ) ) , dimension ( : ) , allocatable :: &
outputID !< ID of each post result output
end type tParameters
type ( tParameters ) , dimension ( : ) , allocatable , target , private :: param !< containers of constitutive parameters (len Ninstance)
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integer ( kind ( undefined_ID ) ) , dimension ( : , : ) , allocatable , private :: &
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plastic_nonlocal_outputID !< ID of each post result output
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public :: &
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plastic_nonlocal_init , &
plastic_nonlocal_stateInit , &
plastic_nonlocal_aTolState , &
plastic_nonlocal_microstructure , &
plastic_nonlocal_LpAndItsTangent , &
plastic_nonlocal_dotState , &
plastic_nonlocal_deltaState , &
plastic_nonlocal_updateCompatibility , &
plastic_nonlocal_postResults
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private :: &
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plastic_nonlocal_kinetics
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contains
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!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_init ( fileUnit )
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use math , only : math_Voigt66to3333 , &
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math_mul3x3 , &
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math_expand
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use IO , only : IO_read , &
IO_lc , &
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IO_getTag , &
IO_isBlank , &
IO_stringPos , &
IO_stringValue , &
IO_floatValue , &
IO_intValue , &
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IO_warning , &
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IO_error , &
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IO_EOF
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use debug , only : debug_level , &
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debug_constitutive , &
debug_levelBasic
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use mesh , only : theMesh
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use material , only : phase_plasticity , &
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homogenization_maxNgrains , &
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phase_plasticityInstance , &
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phase_Noutput , &
PLASTICITY_NONLOCAL_label , &
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PLASTICITY_NONLOCAL_ID , &
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plasticState , &
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material_phase , &
material_allocatePlasticState
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use config
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use lattice
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implicit none
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integer ( pInt ) , intent ( in ) :: fileUnit
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character ( len = 65536 ) , dimension ( 0 ) , parameter :: emptyStringArray = [ character ( len = 65536 ) :: ]
integer ( pInt ) , dimension ( 0 ) , parameter :: emptyInt = [ integer ( pInt ) :: ]
real ( pReal ) , dimension ( 0 ) , parameter :: emptyRealArray = [ real ( pReal ) :: ]
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!*** local variables
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integer ( pInt ) , allocatable , dimension ( : ) :: chunkPos
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integer ( pInt ) :: phase , &
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maxNinstances , &
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maxTotalNslip , p , i , &
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f , & ! index of my slip family
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instance , & ! index of my instance of this plasticity
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l , &
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ns , & ! short notation for total number of active slip systems for the current instance
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o , & ! index of my output
s , & ! index of my slip system
s1 , & ! index of my slip system
s2 , & ! index of my slip system
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it , & ! index of my interaction type
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t , & ! index of dislocation type
c , & ! index of dislocation character
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Nchunks_SlipSlip = 0_pInt , &
Nchunks_SlipFamilies = 0_pInt , &
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mySize = 0_pInt ! to suppress warnings, safe as init is called only once
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character ( len = 65536 ) :: &
tag = '' , &
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line = ''
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integer ( pInt ) :: sizeState , sizeDotState , sizeDependentState , sizeDeltaState
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integer ( kind ( undefined_ID ) ) :: &
outputID !< ID of each post result output
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character ( len = 512 ) :: &
extmsg = '' , &
structure
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character ( len = 65536 ) , dimension ( : ) , allocatable :: outputs
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integer ( pInt ) :: NofMyPhase
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write ( 6 , '(/,a)' ) ' <<<+- constitutive_' / / PLASTICITY_NONLOCAL_label / / ' init -+>>>'
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maxNinstances = int ( count ( phase_plasticity == PLASTICITY_NONLOCAL_ID ) , pInt )
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if ( maxNinstances == 0 ) return ! we don't have to do anything if there's no instance for this constitutive law
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if ( iand ( debug_level ( debug_constitutive ) , debug_levelBasic ) / = 0_pInt ) &
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write ( 6 , '(a16,1x,i5,/)' ) '# instances:' , maxNinstances
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!*** memory allocation for global variables
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allocate ( param ( maxNinstances ) )
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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_output ( maxval ( phase_Noutput ) , maxNinstances ) )
plastic_nonlocal_output = ''
allocate ( plastic_nonlocal_outputID ( maxval ( phase_Noutput ) , maxNinstances ) , source = undefined_ID )
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allocate ( Nslip ( lattice_maxNslipFamily , maxNinstances ) , source = 0_pInt )
allocate ( slipFamily ( lattice_maxNslip , maxNinstances ) , source = 0_pInt )
allocate ( slipSystemLattice ( lattice_maxNslip , maxNinstances ) , source = 0_pInt )
allocate ( totalNslip ( maxNinstances ) , source = 0_pInt )
allocate ( atomicVolume ( maxNinstances ) , source = 0.0_pReal )
allocate ( Dsd0 ( maxNinstances ) , source = - 1.0_pReal )
allocate ( selfDiffusionEnergy ( maxNinstances ) , source = 0.0_pReal )
allocate ( aTolRho ( 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 ( 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 ( 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 ( rhoSglRandom ( maxNinstances ) , source = 0.0_pReal )
allocate ( rhoSglRandomBinning ( maxNinstances ) , source = 1.0_pReal )
allocate ( surfaceTransmissivity ( 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 ( linetensionEffect ( maxNinstances ) , source = 0.0_pReal )
allocate ( edgeJogFactor ( maxNinstances ) , source = 1.0_pReal )
allocate ( shortRangeStressCorrection ( maxNinstances ) , source = . false . )
allocate ( probabilisticMultiplication ( maxNinstances ) , source = . false . )
allocate ( rhoSglEdgePos0 ( lattice_maxNslipFamily , maxNinstances ) , source = - 1.0_pReal )
allocate ( rhoSglEdgeNeg0 ( lattice_maxNslipFamily , maxNinstances ) , source = - 1.0_pReal )
allocate ( rhoSglScrewPos0 ( 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 ( 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 ( interactionSlipSlip ( lattice_maxNinteraction , maxNinstances ) , source = 0.0_pReal )
allocate ( minDipoleHeightPerSlipFamily ( lattice_maxNslipFamily , 2 , maxNinstances ) , source = - 1.0_pReal )
allocate ( peierlsStressPerSlipFamily ( lattice_maxNslipFamily , 2 , maxNinstances ) , source = 0.0_pReal )
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rewind ( fileUnit )
phase = 0_pInt
do while ( trim ( line ) / = IO_EOF . and . IO_lc ( IO_getTag ( line , '<' , '>' ) ) / = MATERIAL_partPhase ) ! wind forward to <phase>
line = IO_read ( fileUnit )
enddo
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parsingFile : do while ( trim ( line ) / = IO_EOF ) ! read through phases of phase part
line = IO_read ( fileUnit )
if ( IO_isBlank ( line ) ) cycle ! skip empty lines
if ( IO_getTag ( line , '<' , '>' ) / = '' ) then ! stop at next part
line = IO_read ( fileUnit , . true . ) ! reset IO_read
exit
endif
if ( IO_getTag ( line , '[' , ']' ) / = '' ) then ! next phase
phase = phase + 1_pInt ! advance phase section counter
if ( phase_plasticity ( phase ) == PLASTICITY_NONLOCAL_ID ) then
Nchunks_SlipFamilies = count ( lattice_NslipSystem ( : , phase ) > 0_pInt )
Nchunks_SlipSlip = maxval ( lattice_InteractionSlipSlip ( : , : , phase ) )
endif
cycle
endif
if ( phase > 0_pInt ) then ; if ( phase_plasticity ( phase ) == PLASTICITY_NONLOCAL_ID ) then ! one of my phases. do not short-circuit here (.and. with next if statement). It's not safe in Fortran
instance = phase_plasticityInstance ( phase ) ! which instance of my plasticity is present phase
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chunkPos = IO_stringPos ( line )
tag = IO_lc ( IO_stringValue ( line , chunkPos , 1_pInt ) ) ! extract key
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select case ( tag )
case ( 'nslip' )
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if ( chunkPos ( 1 ) < 1_pInt + Nchunks_SlipFamilies ) &
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call IO_warning ( 50_pInt , ext_msg = trim ( tag ) / / ' (' / / PLASTICITY_NONLOCAL_LABEL / / ')' )
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Nchunks_SlipFamilies = chunkPos ( 1 ) - 1_pInt
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do f = 1_pInt , Nchunks_SlipFamilies
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Nslip ( f , instance ) = IO_intValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'rhosgledgepos0' )
do f = 1_pInt , Nchunks_SlipFamilies
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rhoSglEdgePos0 ( f , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'rhosgledgeneg0' )
do f = 1_pInt , Nchunks_SlipFamilies
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rhoSglEdgeNeg0 ( f , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'rhosglscrewpos0' )
do f = 1_pInt , Nchunks_SlipFamilies
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rhoSglScrewPos0 ( f , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'rhosglscrewneg0' )
do f = 1_pInt , Nchunks_SlipFamilies
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rhoSglScrewNeg0 ( f , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'rhodipedge0' )
do f = 1_pInt , Nchunks_SlipFamilies
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rhoDipEdge0 ( f , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'rhodipscrew0' )
do f = 1_pInt , Nchunks_SlipFamilies
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rhoDipScrew0 ( f , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'lambda0' )
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
case ( 'burgers' )
do f = 1_pInt , Nchunks_SlipFamilies
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burgersPerSlipFamily ( f , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'cutoffradius' , 'r' )
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cutoffRadius ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'minimumdipoleheightedge' , 'ddipminedge' )
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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enddo
case ( 'minimumdipoleheightscrew' , 'ddipminscrew' )
do f = 1_pInt , Nchunks_SlipFamilies
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minDipoleHeightPerSlipFamily ( f , 2_pInt , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'atomicvolume' )
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atomicVolume ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'selfdiffusionprefactor' , 'dsd0' )
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Dsd0 ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'selfdiffusionenergy' , 'qsd' )
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selfDiffusionEnergy ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'atol_rho' , 'atol_density' , 'absolutetolerancedensity' , 'absolutetolerance_density' )
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aTolRho ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'atol_shear' , 'atol_plasticshear' , 'atol_accumulatedshear' , 'absolutetoleranceshear' , 'absolutetolerance_shear' )
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aTolShear ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'significantrho' , 'significant_rho' , 'significantdensity' , 'significant_density' )
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significantRho ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'significantn' , 'significant_n' , 'significantdislocations' , 'significant_dislcations' )
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significantN ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'interaction_slipslip' )
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if ( chunkPos ( 1 ) < 1_pInt + Nchunks_SlipSlip ) &
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call IO_warning ( 52_pInt , ext_msg = trim ( tag ) / / ' (' / / PLASTICITY_NONLOCAL_LABEL / / ')' )
do it = 1_pInt , Nchunks_SlipSlip
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interactionSlipSlip ( it , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + it )
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enddo
case ( 'linetension' , 'linetensioneffect' , 'linetension_effect' )
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linetensionEffect ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'edgejog' , 'edgejogs' , 'edgejogeffect' , 'edgejog_effect' )
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edgeJogFactor ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'peierlsstressedge' , 'peierlsstress_edge' )
do f = 1_pInt , Nchunks_SlipFamilies
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peierlsStressPerSlipFamily ( f , 1_pInt , instance ) = IO_floatValue ( line , chunkPos , 1_pInt + f )
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enddo
case ( 'peierlsstressscrew' , 'peierlsstress_screw' )
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
case ( 'doublekinkwidth' )
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doublekinkwidth ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'solidsolutionenergy' )
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solidSolutionEnergy ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'solidsolutionsize' )
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solidSolutionSize ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'solidsolutionconcentration' )
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solidSolutionConcentration ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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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 ( 'viscosity' , 'glideviscosity' )
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viscosity ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt )
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case ( 'attackfrequency' , 'fattack' )
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fattack ( 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 ( 'cflfactor' )
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CFLfactor ( 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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shortRangeStressCorrection ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt ) > 0.0_pReal
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case ( 'probabilisticmultiplication' , 'randomsources' , 'randommultiplication' , 'discretesources' )
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probabilisticMultiplication ( instance ) = IO_floatValue ( line , chunkPos , 2_pInt ) > 0.0_pReal
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end select
endif ; endif
enddo parsingFile
sanityChecks : do phase = 1_pInt , size ( phase_plasticity )
myPhase : if ( phase_plasticity ( phase ) == PLASTICITY_NONLOCAL_ID ) then
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instance = phase_plasticityInstance ( phase )
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if ( sum ( Nslip ( : , instance ) ) < = 0_pInt ) &
call IO_error ( 211_pInt , ext_msg = 'Nslip (' / / PLASTICITY_NONLOCAL_label / / ')' )
do f = 1_pInt , lattice_maxNslipFamily
if ( Nslip ( f , instance ) > 0_pInt ) then
if ( rhoSglEdgePos0 ( f , instance ) < 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'rhoSglEdgePos0 (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( rhoSglEdgeNeg0 ( f , instance ) < 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'rhoSglEdgeNeg0 (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( rhoSglScrewPos0 ( f , instance ) < 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'rhoSglScrewPos0 (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( rhoSglScrewNeg0 ( f , instance ) < 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'rhoSglScrewNeg0 (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( rhoDipEdge0 ( f , instance ) < 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'rhoDipEdge0 (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( rhoDipScrew0 ( f , instance ) < 0.0_pReal ) &
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 ) &
call IO_error ( 211_pInt , ext_msg = 'lambda0 (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( minDipoleHeightPerSlipFamily ( f , 1 , instance ) < 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'minimumDipoleHeightEdge (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( minDipoleHeightPerSlipFamily ( f , 2 , instance ) < 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'minimumDipoleHeightScrew (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( peierlsStressPerSlipFamily ( f , 1 , instance ) < = 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'peierlsStressEdge (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( peierlsStressPerSlipFamily ( f , 2 , instance ) < = 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'peierlsStressScrew (' / / PLASTICITY_NONLOCAL_label / / ')' )
endif
enddo
if ( any ( interactionSlipSlip ( 1 : maxval ( lattice_interactionSlipSlip ( : , : , phase ) ) , instance ) < 0.0_pReal ) ) &
call IO_error ( 211_pInt , ext_msg = 'interaction_SlipSlip (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( linetensionEffect ( instance ) < 0.0_pReal . or . linetensionEffect ( instance ) > 1.0_pReal ) &
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 ) &
call IO_error ( 211_pInt , ext_msg = 'r (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( atomicVolume ( instance ) < = 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'atomicVolume (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( Dsd0 ( instance ) < 0.0_pReal ) &
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 ) &
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 ( 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 ) &
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 ) &
call IO_error ( 211_pInt , ext_msg = 'p (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( qParam ( instance ) < 1.0_pReal . or . qParam ( instance ) > 2.0_pReal ) &
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 ) &
call IO_error ( 211_pInt , ext_msg = 'rhoSglScatter (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( rhoSglRandom ( instance ) < 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'rhoSglRandom (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( rhoSglRandomBinning ( instance ) < = 0.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'rhoSglRandomBinning (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( surfaceTransmissivity ( instance ) < 0.0_pReal . or . surfaceTransmissivity ( instance ) > 1.0_pReal ) &
call IO_error ( 211_pInt , ext_msg = 'surfaceTransmissivity (' / / PLASTICITY_NONLOCAL_label / / ')' )
if ( grainboundaryTransmissivity ( instance ) > 1.0_pReal ) &
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 ) &
call IO_error ( 211_pInt , ext_msg = 'edgemultiplicationfactor (' / / PLASTICITY_NONLOCAL_label / / ')' )
!*** determine total number of active slip systems
Nslip ( 1 : lattice_maxNslipFamily , instance ) = min ( lattice_NslipSystem ( 1 : lattice_maxNslipFamily , phase ) , &
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Nslip ( 1 : lattice_maxNslipFamily , instance ) ) ! we can't use more slip systems per family than specified in lattice
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totalNslip ( instance ) = sum ( Nslip ( 1 : lattice_maxNslipFamily , instance ) )
endif myPhase
enddo sanityChecks
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!*** allocation of variables whose size depends on the total number of active slip systems
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maxTotalNslip = maxval ( totalNslip )
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allocate ( iRhoU ( maxTotalNslip , 4 , maxNinstances ) , source = 0_pInt )
allocate ( iRhoB ( maxTotalNslip , 4 , maxNinstances ) , source = 0_pInt )
allocate ( iRhoD ( maxTotalNslip , 2 , maxNinstances ) , source = 0_pInt )
allocate ( iV ( maxTotalNslip , 4 , maxNinstances ) , source = 0_pInt )
allocate ( iD ( maxTotalNslip , 2 , maxNinstances ) , source = 0_pInt )
allocate ( iGamma ( maxTotalNslip , maxNinstances ) , source = 0_pInt )
allocate ( iRhoF ( maxTotalNslip , maxNinstances ) , source = 0_pInt )
allocate ( iTauF ( maxTotalNslip , maxNinstances ) , source = 0_pInt )
allocate ( iTauB ( maxTotalNslip , maxNinstances ) , source = 0_pInt )
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allocate ( burgers ( maxTotalNslip , maxNinstances ) , source = 0.0_pReal )
allocate ( lambda0 ( maxTotalNslip , maxNinstances ) , source = 0.0_pReal )
allocate ( minDipoleHeight ( maxTotalNslip , 2 , maxNinstances ) , source = - 1.0_pReal )
allocate ( forestProjectionEdge ( maxTotalNslip , maxTotalNslip , maxNinstances ) , source = 0.0_pReal )
allocate ( forestProjectionScrew ( maxTotalNslip , maxTotalNslip , maxNinstances ) , source = 0.0_pReal )
allocate ( interactionMatrixSlipSlip ( maxTotalNslip , maxTotalNslip , maxNinstances ) , source = 0.0_pReal )
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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allocate ( rhoDotFluxOutput ( maxTotalNslip , 8 , homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , &
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source = 0.0_pReal )
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allocate ( rhoDotMultiplicationOutput ( maxTotalNslip , 2 , homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , &
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source = 0.0_pReal )
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allocate ( rhoDotSingle2DipoleGlideOutput ( maxTotalNslip , 2 , homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , &
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source = 0.0_pReal )
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allocate ( rhoDotAthermalAnnihilationOutput ( maxTotalNslip , 2 , homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , &
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source = 0.0_pReal )
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allocate ( rhoDotThermalAnnihilationOutput ( maxTotalNslip , 2 , homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , &
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source = 0.0_pReal )
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allocate ( rhoDotEdgeJogsOutput ( maxTotalNslip , homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , &
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source = 0.0_pReal )
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allocate ( compatibility ( 2 , maxTotalNslip , maxTotalNslip , theMesh % elem % nIPneighbors , theMesh % elem % nIPs , theMesh % nElems ) , &
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source = 0.0_pReal )
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allocate ( peierlsStress ( maxTotalNslip , 2 , maxNinstances ) , source = 0.0_pReal )
allocate ( colinearSystem ( maxTotalNslip , maxNinstances ) , source = 0_pInt )
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initializeInstances : do phase = 1_pInt , size ( phase_plasticity )
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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
l = 0_pInt
do f = 1_pInt , lattice_maxNslipFamily
do s = 1_pInt , Nslip ( f , instance )
l = l + 1_pInt
slipFamily ( l , instance ) = f
slipSystemLattice ( l , instance ) = sum ( lattice_NslipSystem ( 1 : f - 1_pInt , phase ) ) + s
enddo ; enddo
!*** determine size of state array
ns = totalNslip ( instance )
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sizeDotState = int ( size ( &
[ 'rhoSglEdgePosMobile ' , &
'rhoSglEdgeNegMobile ' , &
'rhoSglScrewPosMobile ' , &
'rhoSglScrewNegMobile ' , &
'rhoSglEdgePosImmobile ' , &
'rhoSglEdgeNegImmobile ' , &
'rhoSglScrewPosImmobile' , &
'rhoSglScrewNegImmobile' , &
'rhoDipEdge ' , &
'rhoDipScrew ' , &
'accumulatedshear ' ] & !< list of "basic" microstructural state variables that are independent from other state variables
& ) , pInt ) * ns
sizeDependentState = int ( size ( &
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[ 'rhoForest ' , &
'tauThreshold ' , &
'tauBack ' ] & !< list of microstructural state variables that depend on other state variables
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& ) , pInt ) * ns
sizeState = sizeDotState + sizeDependentState &
+ int ( size ( &
[ 'velocityEdgePos ' , &
'velocityEdgeNeg ' , &
'velocityScrewPos ' , &
'velocityScrewNeg ' , &
'maxDipoleHeightEdge ' , &
'maxDipoleHeightScrew' ] & !< list of other dependent state variables that are not updated by microstructure
& ) , pInt ) * ns
sizeDeltaState = sizeDotState
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!*** determine indices to state array
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l = 0_pInt
do t = 1_pInt , 4_pInt
do s = 1_pInt , ns
l = l + 1_pInt
iRhoU ( s , t , instance ) = l
enddo
enddo
do t = 1_pInt , 4_pInt
do s = 1_pInt , ns
l = l + 1_pInt
iRhoB ( s , t , instance ) = l
enddo
enddo
do c = 1_pInt , 2_pInt
do s = 1_pInt , ns
l = l + 1_pInt
iRhoD ( s , c , instance ) = l
enddo
enddo
do s = 1_pInt , ns
l = l + 1_pInt
iGamma ( s , instance ) = l
enddo
do s = 1_pInt , ns
l = l + 1_pInt
iRhoF ( s , instance ) = l
enddo
do s = 1_pInt , ns
l = l + 1_pInt
iTauF ( s , instance ) = l
enddo
do s = 1_pInt , ns
l = l + 1_pInt
iTauB ( s , instance ) = l
enddo
do t = 1_pInt , 4_pInt
do s = 1_pInt , ns
l = l + 1_pInt
iV ( s , t , instance ) = l
enddo
enddo
do c = 1_pInt , 2_pInt
do s = 1_pInt , ns
l = l + 1_pInt
iD ( s , c , instance ) = l
enddo
enddo
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if ( iD ( ns , 2 , instance ) / = sizeState ) & ! check if last index is equal to size of state
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call IO_error ( 0_pInt , ext_msg = 'state indices not properly set (' / / PLASTICITY_NONLOCAL_label / / ')' )
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plasticState ( phase ) % nonlocal = . true .
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call material_allocatePlasticState ( phase , NofMyPhase , sizeState , sizeDotState , sizeDeltaState , &
totalNslip ( instance ) , 0_pInt , 0_pInt )
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plasticState ( phase ) % offsetDeltaState = 0_pInt
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plasticState ( phase ) % slipRate = > &
plasticState ( phase ) % dotState ( iGamma ( 1 , instance ) : iGamma ( ns , instance ) , 1 : NofMyPhase )
plasticState ( phase ) % accumulatedSlip = > &
plasticState ( phase ) % state ( iGamma ( 1 , instance ) : iGamma ( ns , instance ) , 1 : NofMyPhase )
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do s1 = 1_pInt , ns
f = slipFamily ( s1 , instance )
!*** 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 )
minDipoleHeight ( s1 , 1 : 2 , instance ) = minDipoleHeightPerSlipFamily ( f , 1 : 2 , instance )
peierlsStress ( s1 , 1 : 2 , instance ) = peierlsStressPerSlipFamily ( f , 1 : 2 , instance )
do s2 = 1_pInt , ns
!*** calculation of forest projections for edge and screw dislocations. s2 acts as forest for s1
forestProjectionEdge ( s1 , s2 , instance ) &
= abs ( math_mul3x3 ( lattice_sn ( 1 : 3 , slipSystemLattice ( s1 , instance ) , phase ) , &
lattice_st ( 1 : 3 , slipSystemLattice ( s2 , instance ) , phase ) ) ) ! forest projection of edge dislocations is the projection of (t = b x n) onto the slip normal of the respective slip plane
forestProjectionScrew ( s1 , s2 , instance ) &
= abs ( math_mul3x3 ( lattice_sn ( 1 : 3 , slipSystemLattice ( s1 , instance ) , phase ) , &
lattice_sd ( 1 : 3 , slipSystemLattice ( s2 , instance ) , phase ) ) ) ! forest projection of screw dislocations is the projection of b onto the slip normal of the respective splip plane
!*** calculation of interaction matrices
interactionMatrixSlipSlip ( s1 , s2 , instance ) &
= interactionSlipSlip ( lattice_interactionSlipSlip ( slipSystemLattice ( s1 , instance ) , &
slipSystemLattice ( s2 , instance ) , &
phase ) , instance )
!*** colinear slip system (only makes sense for fcc like it is defined here)
if ( lattice_interactionSlipSlip ( slipSystemLattice ( s1 , instance ) , &
slipSystemLattice ( s2 , instance ) , &
phase ) == 3_pInt ) then
colinearSystem ( s1 , instance ) = s2
endif
enddo
!*** rotation matrix from lattice configuration to slip system
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 ) , &
lattice_sn ( 1 : 3 , slipSystemLattice ( s1 , instance ) , phase ) ] , [ 3 , 3 ] ) )
enddo
!*** combined projection of Schmid and non-Schmid contributions to the resolved shear stress (only for screws)
!* four types t:
!* 1) positive screw at positive resolved stress
!* 2) positive screw at negative resolved stress
!* 3) negative screw at positive resolved stress
!* 4) negative screw at negative resolved stress
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call plastic_nonlocal_aTolState ( phase , instance )
endif myPhase2
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enddo initializeInstances
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do p = 1_pInt , size ( config_phase )
if ( phase_plasticity ( p ) / = PLASTICITY_NONLOCAL_ID ) cycle
instance = phase_plasticityInstance ( p )
associate ( prm = > param ( instance ) , &
config = > config_phase ( p ) )
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prm % mu = lattice_mu ( p )
prm % nu = lattice_nu ( p )
structure = config_phase ( p ) % getString ( 'lattice_structure' )
param ( instance ) % shortRangeStressCorrection = . false .
param ( instance ) % probabilisticMultiplication = . false .
prm % Nslip = config_phase ( p ) % getInts ( 'nslip' , defaultVal = emptyInt )
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prm % totalNslip = sum ( prm % Nslip )
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prm % Schmid = lattice_SchmidMatrix_slip ( prm % Nslip , structure ( 1 : 3 ) , &
config % getFloat ( 'c/a' , defaultVal = 0.0_pReal ) )
if ( structure == 'bcc' ) then
prm % nonSchmidCoeff = config % getFloats ( 'nonschmid_coefficients' , &
defaultVal = emptyRealArray )
prm % nonSchmid_pos = lattice_nonSchmidMatrix ( prm % Nslip , prm % nonSchmidCoeff , + 1_pInt )
prm % nonSchmid_neg = lattice_nonSchmidMatrix ( prm % Nslip , prm % nonSchmidCoeff , - 1_pInt )
else
prm % nonSchmid_pos = prm % Schmid
prm % nonSchmid_neg = prm % Schmid
endif
prm % interactionSlipSlip = lattice_interaction_SlipSlip ( prm % Nslip , &
config % getFloats ( 'interaction_slipslip' ) , &
structure ( 1 : 3 ) )
prm % rhoSglEdgePos0 = config_phase ( p ) % getFloats ( 'rhosgledgepos0' )
prm % rhoSglEdgeNeg0 = config_phase ( p ) % getFloats ( 'rhosgledgeneg0' )
prm % rhoSglScrewPos0 = config_phase ( p ) % getFloats ( 'rhosglscrewpos0' )
prm % rhoSglScrewNeg0 = config_phase ( p ) % getFloats ( 'rhosglscrewneg0' )
prm % rhoDipEdge0 = config_phase ( p ) % getFloats ( 'rhodipedge0' )
prm % rhoDipScrew0 = config_phase ( p ) % getFloats ( 'rhodipscrew0' )
prm % lambda0 = config_phase ( p ) % getFloats ( 'lambda0' )
if ( size ( prm % lambda0 ) / = size ( prm % Nslip ) ) call IO_error ( 211_pInt , ext_msg = 'lambda0' )
prm % lambda0 = math_expand ( prm % lambda0 , prm % Nslip )
prm % burgers = config_phase ( p ) % getFloats ( 'burgers' )
if ( size ( prm % burgers ) / = size ( prm % Nslip ) ) call IO_error ( 150_pInt , ext_msg = 'burgers' )
prm % burgers = math_expand ( prm % burgers , prm % Nslip )
minDipoleHeightPerSlipFamily ( : , 1_pInt , instance ) = config_phase ( p ) % getFloats ( 'minimumdipoleheightedge' ) !,'ddipminedge')
minDipoleHeightPerSlipFamily ( : , 2_pInt , instance ) = config_phase ( p ) % getFloats ( 'minimumdipoleheightscrew' ) !,'ddipminscrew')
peierlsStressPerSlipFamily ( : , 1_pInt , instance ) = config_phase ( p ) % getFloat ( 'peierlsstressedge' ) !,'peierlsstress_edge')
peierlsStressPerSlipFamily ( : , 2_pInt , instance ) = config_phase ( p ) % getFloat ( 'peierlsstressscrew' ) !,'peierlsstress_screw')
prm % atomicVolume = config_phase ( p ) % getFloat ( 'atomicvolume' )
prm % cutoffRadius = config_phase ( p ) % getFloat ( 'r' ) !,cutoffradius')
prm % Dsd0 = config_phase ( p ) % getFloat ( 'selfdiffusionprefactor' ) !,'dsd0')
prm % selfDiffusionEnergy = config_phase ( p ) % getFloat ( 'selfdiffusionenergy' ) !,'qsd')
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prm % aTolRho = config_phase ( p ) % getFloat ( 'atol_rho' ) !,'atol_density','absolutetolerancedensity','absolutetolerance_density')
prm % aTolShear = config_phase ( p ) % getFloat ( 'atol_shear' ) !,'atol_plasticshear','atol_accumulatedshear','absolutetoleranceshear','absolutetolerance_shear')
prm % significantRho = config_phase ( p ) % getFloat ( 'significantrho' ) !,'significant_rho','significantdensity','significant_density')
prm % significantN = config_phase ( p ) % getFloat ( 'significantn' , 0.0_pReal ) !,'significant_n','significantdislocations','significant_dislcations')
prm % linetensionEffect = config_phase ( p ) % getFloat ( 'linetension' ) !,'linetensioneffect','linetension_effect')
prm % edgeJogFactor = config_phase ( p ) % getFloat ( 'edgejog' ) !,'edgejogs','edgejogeffect','edgejog_effect')
prm % doublekinkwidth = config_phase ( p ) % getFloat ( 'doublekinkwidth' )
prm % solidSolutionEnergy = config_phase ( p ) % getFloat ( 'solidsolutionenergy' )
prm % solidSolutionSize = config_phase ( p ) % getFloat ( 'solidsolutionsize' )
prm % solidSolutionConcentration = config_phase ( p ) % getFloat ( 'solidsolutionconcentration' )
prm % p = config_phase ( p ) % getFloat ( 'p' )
prm % q = config_phase ( p ) % getFloat ( 'q' )
prm % viscosity = config_phase ( p ) % getFloat ( 'viscosity' ) !,'glideviscosity')
prm % fattack = config_phase ( p ) % getFloat ( 'attackfrequency' ) !,'fattack')
prm % rhoSglScatter = config_phase ( p ) % getFloat ( 'rhosglscatter' )
prm % rhoSglRandom = config_phase ( p ) % getFloat ( 'rhosglrandom' , 0.0_pReal )
if ( config_phase ( p ) % keyExists ( 'rhosglrandom' ) ) &
prm % rhoSglRandomBinning = config_phase ( p ) % getFloat ( 'rhosglrandombinning' , 0.0_pReal ) !ToDo: useful default?
prm % surfaceTransmissivity = config_phase ( p ) % getFloat ( 'surfacetransmissivity' )
prm % grainboundaryTransmissivity = config_phase ( p ) % getFloat ( 'grainboundarytransmissivity' )
prm % CFLfactor = config_phase ( p ) % getFloat ( 'cflfactor' )
prm % fEdgeMultiplication = config_phase ( p ) % getFloat ( 'edgemultiplication' ) !,'edgemultiplicationfactor','fedgemultiplication')
prm % shortRangeStressCorrection = config_phase ( p ) % getInt ( 'shortrangestresscorrection' ) > 0_pInt
prm % probabilisticMultiplication = config_phase ( p ) % keyExists ( '/probabilisticmultiplication/' ) !,'randomsources','randommultiplication','discretesources')
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outputs = config_phase ( p ) % getStrings ( '(output)' , defaultVal = emptyStringArray )
allocate ( prm % outputID ( 0 ) )
do i = 1_pInt , size ( outputs )
outputID = undefined_ID
select case ( trim ( outputs ( i ) ) )
case ( 'rho_sgl_edge_pos_mobile' )
outputID = rho_sgl_edge_pos_mobile_ID
case ( 'rho_sgl_edge_neg_mobile' )
outputID = rho_sgl_edge_neg_mobile_ID
case ( 'rho_sgl_screw_pos_mobile' )
outputID = rho_sgl_screw_pos_mobile_ID
case ( 'rho_sgl_screw_neg_mobile' )
outputID = rho_sgl_screw_neg_mobile_ID
case ( 'rho_sgl_edge_pos_immobile' )
outputID = rho_sgl_edge_pos_immobile_ID
case ( 'rho_sgl_edge_neg_immobile' )
outputID = rho_sgl_edge_neg_immobile_ID
case ( 'rho_sgl_screw_pos_immobile' )
outputID = rho_sgl_screw_pos_immobile_ID
case ( 'rho_sgl_screw_neg_immobile' )
outputID = rho_sgl_screw_neg_immobile_ID
case ( 'rho_dip_edge' )
outputID = rho_dip_edge_ID
case ( 'rho_dip_screw' )
outputID = rho_dip_screw_ID
case ( 'rho_forest' )
outputID = rho_forest_ID
case ( 'shearrate' )
outputID = shearrate_ID
case ( 'resolvedstress' )
outputID = resolvedstress_ID
case ( 'resolvedstress_external' )
outputID = resolvedstress_external_ID
case ( 'resolvedstress_back' )
outputID = resolvedstress_back_ID
case ( 'resistance' )
outputID = resistance_ID
case ( 'rho_dot_sgl' )
outputID = rho_dot_sgl_ID
case ( 'rho_dot_sgl_mobile' )
outputID = rho_dot_sgl_mobile_ID
case ( 'rho_dot_dip' )
outputID = rho_dot_dip_ID
case ( 'rho_dot_gen' )
outputID = rho_dot_gen_ID
case ( 'rho_dot_gen_edge' )
outputID = rho_dot_gen_edge_ID
case ( 'rho_dot_gen_screw' )
outputID = rho_dot_gen_screw_ID
case ( 'rho_dot_sgl2dip_edge' )
outputID = rho_dot_sgl2dip_edge_ID
case ( 'rho_dot_sgl2dip_screw' )
outputID = rho_dot_sgl2dip_screw_ID
case ( 'rho_dot_ann_ath' )
outputID = rho_dot_ann_ath_ID
case ( 'rho_dot_ann_the_edge' )
outputID = rho_dot_ann_the_edge_ID
case ( 'rho_dot_ann_the_screw' )
outputID = rho_dot_ann_the_screw_ID
case ( 'rho_dot_edgejogs' )
outputID = rho_dot_edgejogs_ID
case ( 'rho_dot_flux_mobile' )
outputID = rho_dot_flux_mobile_ID
case ( 'rho_dot_flux_edge' )
outputID = rho_dot_flux_edge_ID
case ( 'rho_dot_flux_screw' )
outputID = rho_dot_flux_screw_ID
case ( 'velocity_edge_pos' )
outputID = velocity_edge_pos_ID
case ( 'velocity_edge_neg' )
outputID = velocity_edge_neg_ID
case ( 'velocity_screw_pos' )
outputID = velocity_screw_pos_ID
case ( 'velocity_screw_neg' )
outputID = velocity_screw_neg_ID
case ( 'maximumdipoleheight_edge' )
outputID = maximumdipoleheight_edge_ID
case ( 'maximumdipoleheight_screw' )
outputID = maximumdipoleheight_screw_ID
case ( 'accumulatedshear' , 'accumulated_shear' )
outputID = accumulatedshear_ID
end select
if ( outputID / = undefined_ID ) then
plastic_nonlocal_output ( i , instance ) = outputs ( i )
plastic_nonlocal_sizePostResult ( i , instance ) = totalNslip ( instance )
prm % outputID = [ prm % outputID , outputID ]
endif
enddo
end associate
plasticState ( p ) % sizePostResults = sum ( plastic_nonlocal_sizePostResult ( : , instance ) )
enddo
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end subroutine plastic_nonlocal_init
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!--------------------------------------------------------------------------------------------------
!> @brief sets the initial microstructural state for a given instance of this plasticity
!--------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_stateInit ( )
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use IO , only : IO_error
use lattice , only : lattice_maxNslipFamily
use math , only : math_sampleGaussVar
use mesh , only : mesh_ipVolume , &
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theMesh , &
mesh_element
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use material , only : material_phase , &
phase_plasticityInstance , &
plasticState , &
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phaseAt , phasememberAt , &
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phase_plasticity , &
PLASTICITY_NONLOCAL_ID
implicit none
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integer ( pInt ) :: e , &
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i , &
ns , & ! short notation for total number of active slip systems
f , & ! index of lattice family
from , &
upto , &
s , & ! index of slip system
t , &
j , &
instance , &
maxNinstances
real ( pReal ) , dimension ( 2 ) :: noise
real ( pReal ) , dimension ( 4 ) :: rnd
real ( pReal ) meanDensity , &
totalVolume , &
densityBinning , &
minimumIpVolume
maxNinstances = int ( count ( phase_plasticity == PLASTICITY_NONLOCAL_ID ) , pInt )
do instance = 1_pInt , maxNinstances
ns = totalNslip ( instance )
! randomly distribute dislocation segments on random slip system and of random type in the volume
if ( rhoSglRandom ( instance ) > 0.0_pReal ) then
! get the total volume of the instance
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minimumIpVolume = huge ( 1.0_pReal )
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totalVolume = 0.0_pReal
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do e = 1_pInt , theMesh % nElems
do i = 1_pInt , theMesh % elem % nIPs
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if ( PLASTICITY_NONLOCAL_ID == phase_plasticity ( material_phase ( 1 , i , e ) ) &
. and . instance == phase_plasticityInstance ( material_phase ( 1 , i , e ) ) ) then
totalVolume = totalVolume + mesh_ipVolume ( i , e )
minimumIpVolume = min ( minimumIpVolume , mesh_ipVolume ( i , e ) )
endif
enddo
enddo
densityBinning = rhoSglRandomBinning ( instance ) / minimumIpVolume ** ( 2.0_pReal / 3.0_pReal )
! subsequently fill random ips with dislocation segments until we reach the desired overall density
meanDensity = 0.0_pReal
do while ( meanDensity < rhoSglRandom ( instance ) )
call random_number ( rnd )
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e = nint ( rnd ( 1 ) * real ( theMesh % nElems , pReal ) + 0.5_pReal , pInt )
i = nint ( rnd ( 2 ) * real ( theMesh % elem % nIPs , pReal ) + 0.5_pReal , pInt )
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if ( PLASTICITY_NONLOCAL_ID == phase_plasticity ( material_phase ( 1 , i , e ) ) &
. and . instance == phase_plasticityInstance ( material_phase ( 1 , i , e ) ) ) then
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s = nint ( rnd ( 3 ) * real ( ns , pReal ) + 0.5_pReal , pInt )
t = nint ( rnd ( 4 ) * 4.0_pReal + 0.5_pReal , pInt )
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meanDensity = meanDensity + densityBinning * mesh_ipVolume ( i , e ) / totalVolume
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plasticState ( phaseAt ( 1 , i , e ) ) % state0 ( iRhoU ( s , t , instance ) , phaseAt ( 1 , i , e ) ) = &
plasticState ( phaseAt ( 1 , i , e ) ) % state0 ( iRhoU ( s , t , instance ) , phaseAt ( 1 , i , e ) ) &
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+ densityBinning
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endif
enddo
! homogeneous distribution of density with some noise
else
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do e = 1_pInt , theMesh % nElems
do i = 1_pInt , theMesh % elem % nIPs
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if ( PLASTICITY_NONLOCAL_ID == phase_plasticity ( material_phase ( 1 , i , e ) ) &
. and . instance == phase_plasticityInstance ( material_phase ( 1 , i , e ) ) ) then
do f = 1_pInt , lattice_maxNslipFamily
from = 1_pInt + sum ( Nslip ( 1 : f - 1_pInt , instance ) )
upto = sum ( Nslip ( 1 : f , instance ) )
do s = from , upto
do j = 1_pInt , 2_pInt
noise ( j ) = math_sampleGaussVar ( 0.0_pReal , rhoSglScatter ( instance ) )
enddo
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plasticState ( phaseAt ( 1 , i , e ) ) % state0 ( iRhoU ( s , 1 , instance ) , phasememberAt ( 1 , i , e ) ) = &
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rhoSglEdgePos0 ( f , instance ) + noise ( 1 )
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plasticState ( phaseAt ( 1 , i , e ) ) % state0 ( iRhoU ( s , 2 , instance ) , phasememberAt ( 1 , i , e ) ) = &
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rhoSglEdgeNeg0 ( f , instance ) + noise ( 1 )
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plasticState ( phaseAt ( 1 , i , e ) ) % state0 ( iRhoU ( s , 3 , instance ) , phasememberAt ( 1 , i , e ) ) = &
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rhoSglScrewPos0 ( f , instance ) + noise ( 2 )
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plasticState ( phaseAt ( 1 , i , e ) ) % state0 ( iRhoU ( s , 4 , instance ) , phasememberAt ( 1 , i , e ) ) = &
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rhoSglScrewNeg0 ( f , instance ) + noise ( 2 )
enddo
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plasticState ( phaseAt ( 1 , i , e ) ) % state0 ( iRhoD ( from : upto , 1 , instance ) , phasememberAt ( 1 , i , e ) ) = &
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rhoDipEdge0 ( f , instance )
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plasticState ( phaseAt ( 1 , i , e ) ) % state0 ( iRhoD ( from : upto , 2 , instance ) , phasememberAt ( 1 , i , e ) ) = &
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rhoDipScrew0 ( f , instance )
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enddo
endif
enddo
enddo
endif
enddo
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end subroutine plastic_nonlocal_stateInit
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!--------------------------------------------------------------------------------------------------
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!> @brief sets the relevant state values for a given instance of this plasticity
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_aTolState ( ph , instance )
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use material , only : &
plasticState
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implicit none
integer ( pInt ) , intent ( in ) :: &
instance , & !< number specifying the instance of the plasticity
ph
integer ( pInt ) :: &
ns , &
t , c
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ns = totalNslip ( instance )
forall ( t = 1_pInt : 4_pInt )
plasticState ( ph ) % aTolState ( iRhoU ( 1 : ns , t , instance ) ) = aTolRho ( instance )
plasticState ( ph ) % aTolState ( iRhoB ( 1 : ns , t , instance ) ) = aTolRho ( instance )
end forall
forall ( c = 1_pInt : 2_pInt ) &
plasticState ( ph ) % aTolState ( iRhoD ( 1 : ns , c , instance ) ) = aTolRho ( instance )
plasticState ( ph ) % aTolState ( iGamma ( 1 : ns , instance ) ) = aTolShear ( instance )
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end subroutine plastic_nonlocal_aTolState
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!--------------------------------------------------------------------------------------------------
!> @brief calculates quantities characterizing the microstructure
!--------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_microstructure ( Fe , Fp , ip , el )
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use prec , only : &
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dEq0
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use IO , only : &
IO_error
use math , only : &
pi , &
math_mul33x3 , &
math_mul3x3 , &
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math_inv33
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use debug , only : &
debug_level , &
debug_constitutive , &
debug_levelExtensive , &
debug_levelSelective , &
debug_i , &
debug_e
use mesh , only : &
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theMesh , &
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mesh_element , &
mesh_ipNeighborhood , &
mesh_ipCoordinates , &
mesh_ipVolume , &
mesh_ipAreaNormal , &
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mesh_ipArea
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use material , only : &
material_phase , &
phase_localPlasticity , &
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plasticState , &
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phaseAt , phasememberAt , &
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phase_plasticityInstance
use lattice , only : &
lattice_sd , &
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lattice_st , &
lattice_mu , &
lattice_nu , &
lattice_structure , &
LATTICE_bcc_ID , &
LATTICE_fcc_ID
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implicit none
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integer ( pInt ) , intent ( in ) :: ip , & ! current integration point
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el ! current element
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real ( pReal ) , dimension ( 3 , 3 ) , intent ( in ) :: &
Fe , & ! elastic deformation gradient
Fp ! elastic deformation gradient
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integer ( pInt ) :: &
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ph , & !< phase
of , & !< offset
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np , & !< neighbor phase
no !< nieghbor offset
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integer ( pInt ) neighbor_el , & ! element number of neighboring material point
neighbor_ip , & ! integration point of neighboring material point
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instance , & ! my instance of this plasticity
neighbor_instance , & ! instance of this plasticity of neighboring material point
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neighbor_phase , &
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ns , & ! total number of active slip systems at my material point
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neighbor_ns , & ! total number of active slip systems at neighboring material point
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c , & ! index of dilsocation character (edge, screw)
s , & ! slip system index
t , & ! index of dilsocation type (e+, e-, s+, s-, used e+, used e-, used s+, used s-)
dir , &
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n , &
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nRealNeighbors ! number of really existing neighbors
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integer ( pInt ) , dimension ( 2 ) :: neighbors
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real ( pReal ) FVsize , &
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correction , &
myRhoForest
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real ( pReal ) , dimension ( 2 ) :: rhoExcessGradient , &
rhoExcessGradient_over_rho , &
rhoTotal
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real ( pReal ) , dimension ( 3 ) :: rhoExcessDifferences , &
normal_latticeConf
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) :: &
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rhoForest , & ! forest dislocation density
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tauBack , & ! back stress from pileup on same slip system
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tauThreshold ! threshold shear stress
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real ( pReal ) , dimension ( 3 , 3 ) :: invFe , & ! inverse of elastic deformation gradient
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invFp , & ! inverse of plastic deformation gradient
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connections , &
invConnections
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real ( pReal ) , dimension ( 3 , theMesh % elem % nIPneighbors ) :: &
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connection_latticeConf
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real ( pReal ) , dimension ( 2 , totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) :: &
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rhoExcess
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 2 ) :: &
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rhoDip ! dipole dislocation density (edge, screw)
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 8 ) :: &
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rhoSgl ! single dislocation density (edge+, edge-, screw+, screw-, used edge+, used edge-, used screw+, used screw-)
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , &
totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) :: &
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myInteractionMatrix ! corrected slip interaction matrix
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real ( pReal ) , dimension ( 2 , maxval ( totalNslip ) , theMesh % elem % nIPneighbors ) :: &
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neighbor_rhoExcess , & ! excess density at neighboring material point
neighbor_rhoTotal ! total density at neighboring material point
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real ( pReal ) , dimension ( 3 , totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 2 ) :: &
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m ! direction of dislocation motion
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ph = phaseAt ( 1 , ip , el )
of = phasememberAt ( 1 , ip , el )
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instance = phase_plasticityInstance ( ph )
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associate ( prm = > param ( instance ) )
ns = prm % totalNslip
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!*** get basic states
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forall ( s = 1_pInt : ns , t = 1_pInt : 4_pInt )
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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 )
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endforall
forall ( s = 1_pInt : ns , c = 1_pInt : 2_pInt ) &
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rhoDip ( s , c ) = max ( plasticState ( ph ) % state ( iRhoD ( s , c , instance ) , of ) , 0.0_pReal ) ! ensure positive dipole densities
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where ( abs ( rhoSgl ) * mesh_ipVolume ( ip , el ) ** 0.667_pReal < prm % significantN &
. or . abs ( rhoSgl ) < prm % significantRho ) &
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rhoSgl = 0.0_pReal
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where ( abs ( rhoDip ) * mesh_ipVolume ( ip , el ) ** 0.667_pReal < prm % significantN &
. or . abs ( rhoDip ) < prm % significantRho ) &
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rhoDip = 0.0_pReal
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!*** calculate the forest dislocation density
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!*** (= projection of screw and edge dislocations)
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forall ( s = 1_pInt : ns ) &
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rhoForest ( s ) = dot_product ( ( sum ( abs ( rhoSgl ( 1 : ns , [ 1 , 2 , 5 , 6 ] ) ) , 2 ) + rhoDip ( 1 : ns , 1 ) ) , &
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forestProjectionEdge ( s , 1 : ns , instance ) ) &
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+ dot_product ( ( sum ( abs ( rhoSgl ( 1 : ns , [ 3 , 4 , 7 , 8 ] ) ) , 2 ) + rhoDip ( 1 : ns , 2 ) ) , &
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forestProjectionScrew ( s , 1 : ns , instance ) )
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!*** calculate the threshold shear stress for dislocation slip
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!*** coefficients are corrected for the line tension effect
!*** (see Kubin,Devincre,Hoc; 2008; Modeling dislocation storage rates and mean free paths in face-centered cubic crystals)
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myInteractionMatrix = 0.0_pReal
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myInteractionMatrix ( 1 : ns , 1 : ns ) = interactionMatrixSlipSlip ( 1 : ns , 1 : ns , instance )
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if ( lattice_structure ( ph ) == LATTICE_bcc_ID . or . lattice_structure ( ph ) == LATTICE_fcc_ID ) then ! only fcc and bcc
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do s = 1_pInt , ns
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myRhoForest = max ( rhoForest ( s ) , significantRho ( instance ) )
correction = ( 1.0_pReal - linetensionEffect ( instance ) &
+ linetensionEffect ( instance ) &
* log ( 0.35_pReal * burgers ( s , instance ) * sqrt ( myRhoForest ) ) &
/ log ( 0.35_pReal * burgers ( s , instance ) * 1e6_pReal ) ) ** 2.0_pReal
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myInteractionMatrix ( s , 1 : ns ) = correction * myInteractionMatrix ( s , 1 : ns )
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enddo
endif
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forall ( s = 1_pInt : ns ) &
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tauThreshold ( s ) = lattice_mu ( ph ) * burgers ( s , instance ) &
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* sqrt ( dot_product ( ( sum ( abs ( rhoSgl ) , 2 ) + sum ( abs ( rhoDip ) , 2 ) ) , myInteractionMatrix ( s , 1 : ns ) ) )
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!*** calculate the dislocation stress of the neighboring excess dislocation densities
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!*** zero for material points of local plasticity
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tauBack = 0.0_pReal
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if ( . not . phase_localPlasticity ( ph ) . and . prm % shortRangeStressCorrection ) then
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invFe = math_inv33 ( Fe )
invFp = math_inv33 ( Fp )
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rhoExcess ( 1 , 1 : ns ) = rhoSgl ( 1 : ns , 1 ) - rhoSgl ( 1 : ns , 2 )
rhoExcess ( 2 , 1 : ns ) = rhoSgl ( 1 : ns , 3 ) - rhoSgl ( 1 : ns , 4 )
FVsize = mesh_ipVolume ( ip , el ) ** ( 1.0_pReal / 3.0_pReal )
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!* loop through my neighborhood and get the connection vectors (in lattice frame) and the excess densities
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nRealNeighbors = 0_pInt
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neighbor_rhoTotal = 0.0_pReal
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do n = 1_pInt , theMesh % elem % nIPneighbors
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neighbor_el = mesh_ipNeighborhood ( 1 , n , ip , el )
neighbor_ip = mesh_ipNeighborhood ( 2 , n , ip , el )
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np = phaseAt ( 1 , neighbor_ip , neighbor_el )
no = phasememberAt ( 1 , neighbor_ip , neighbor_el )
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if ( neighbor_el > 0 . and . neighbor_ip > 0 ) then
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neighbor_phase = material_phase ( 1 , neighbor_ip , neighbor_el )
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neighbor_instance = phase_plasticityInstance ( neighbor_phase )
neighbor_ns = totalNslip ( neighbor_instance )
if ( . not . phase_localPlasticity ( neighbor_phase ) &
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. and . neighbor_instance == instance ) then ! same instance should be same structure
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if ( neighbor_ns == ns ) then
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nRealNeighbors = nRealNeighbors + 1_pInt
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forall ( s = 1_pInt : ns , c = 1_pInt : 2_pInt )
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neighbor_rhoExcess ( c , s , n ) = &
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max ( plasticState ( np ) % state ( iRhoU ( s , 2 * c - 1 , neighbor_instance ) , no ) , 0.0_pReal ) & ! positive mobiles
- max ( plasticState ( np ) % state ( iRhoU ( s , 2 * c , neighbor_instance ) , no ) , 0.0_pReal ) ! negative mobiles
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neighbor_rhoTotal ( c , s , n ) = &
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max ( plasticState ( np ) % state ( iRhoU ( s , 2 * c - 1 , neighbor_instance ) , no ) , 0.0_pReal ) & ! positive mobiles
+ max ( plasticState ( np ) % state ( iRhoU ( s , 2 * c , neighbor_instance ) , no ) , 0.0_pReal ) & ! negative mobiles
+ abs ( plasticState ( np ) % state ( iRhoB ( s , 2 * c - 1 , neighbor_instance ) , no ) ) & ! positive deads
+ abs ( plasticState ( np ) % state ( iRhoB ( s , 2 * c , neighbor_instance ) , no ) ) & ! negative deads
+ max ( plasticState ( np ) % state ( iRhoD ( s , c , neighbor_instance ) , no ) , 0.0_pReal ) ! dipoles
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endforall
connection_latticeConf ( 1 : 3 , n ) = &
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math_mul33x3 ( invFe , mesh_ipCoordinates ( 1 : 3 , neighbor_ip , neighbor_el ) &
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- mesh_ipCoordinates ( 1 : 3 , ip , el ) )
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normal_latticeConf = math_mul33x3 ( transpose ( invFp ) , mesh_ipAreaNormal ( 1 : 3 , n , ip , el ) )
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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
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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
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else
! different number of active slip systems
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call IO_error ( - 1_pInt , ext_msg = 'different number of active slip systems in neighboring IPs of same crystal structure' )
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endif
else
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! local neighbor or different lattice structure or different constitution instance -> use central values instead
connection_latticeConf ( 1 : 3 , n ) = 0.0_pReal
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neighbor_rhoExcess ( 1 : 2 , 1 : ns , n ) = rhoExcess
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endif
else
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! free surface -> use central values instead
connection_latticeConf ( 1 : 3 , n ) = 0.0_pReal
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neighbor_rhoExcess ( 1 : 2 , 1 : ns , n ) = rhoExcess
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endif
enddo
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!* loop through the slip systems and calculate the dislocation gradient by
!* 1. interpolation of the excess density in the neighorhood
!* 2. interpolation of the dead dislocation density in the central volume
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m ( 1 : 3 , 1 : ns , 1 ) = lattice_sd ( 1 : 3 , slipSystemLattice ( 1 : ns , instance ) , ph )
m ( 1 : 3 , 1 : ns , 2 ) = - lattice_st ( 1 : 3 , slipSystemLattice ( 1 : ns , instance ) , ph )
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do s = 1_pInt , ns
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!* gradient from interpolation of neighboring excess density
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do c = 1_pInt , 2_pInt
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do dir = 1_pInt , 3_pInt
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neighbors ( 1 ) = 2_pInt * dir - 1_pInt
neighbors ( 2 ) = 2_pInt * dir
connections ( dir , 1 : 3 ) = connection_latticeConf ( 1 : 3 , neighbors ( 1 ) ) &
- connection_latticeConf ( 1 : 3 , neighbors ( 2 ) )
rhoExcessDifferences ( dir ) = neighbor_rhoExcess ( c , s , neighbors ( 1 ) ) &
- neighbor_rhoExcess ( c , s , neighbors ( 2 ) )
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enddo
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invConnections = math_inv33 ( connections )
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if ( all ( dEq0 ( invConnections ) ) ) &
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call IO_error ( - 1_pInt , ext_msg = 'back stress calculation: inversion error' )
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rhoExcessGradient ( c ) = math_mul3x3 ( m ( 1 : 3 , s , c ) , &
math_mul33x3 ( invConnections , rhoExcessDifferences ) )
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enddo
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!* plus gradient from deads
do t = 1_pInt , 4_pInt
c = ( t - 1_pInt ) / 2_pInt + 1_pInt
rhoExcessGradient ( c ) = rhoExcessGradient ( c ) + rhoSgl ( s , t + 4_pInt ) / FVsize
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enddo
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!* normalized with the total density
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rhoExcessGradient_over_rho = 0.0_pReal
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forall ( c = 1_pInt : 2_pInt ) &
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rhoTotal ( c ) = ( sum ( abs ( rhoSgl ( s , [ 2 * c - 1 , 2 * c , 2 * c + 3 , 2 * c + 4 ] ) ) ) + rhoDip ( s , c ) &
+ sum ( neighbor_rhoTotal ( c , s , : ) ) ) / real ( 1_pInt + nRealNeighbors , pReal )
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forall ( c = 1_pInt : 2_pInt , rhoTotal ( c ) > 0.0_pReal ) &
rhoExcessGradient_over_rho ( c ) = rhoExcessGradient ( c ) / rhoTotal ( c )
!* gives the local stress correction when multiplied with a factor
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tauBack ( s ) = - lattice_mu ( ph ) * burgers ( s , instance ) / ( 2.0_pReal * pi ) &
* ( rhoExcessGradient_over_rho ( 1 ) / ( 1.0_pReal - lattice_nu ( ph ) ) &
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+ rhoExcessGradient_over_rho ( 2 ) )
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enddo
endif
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!*** set dependent states
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plasticState ( ph ) % state ( iRhoF ( 1 : ns , instance ) , of ) = rhoForest
plasticState ( ph ) % state ( iTauF ( 1 : ns , instance ) , of ) = tauThreshold
plasticState ( ph ) % state ( iTauB ( 1 : ns , instance ) , of ) = tauBack
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#ifdef DEBUG
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if ( iand ( debug_level ( debug_constitutive ) , debug_levelExtensive ) / = 0_pInt &
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. and . ( ( debug_e == el . and . debug_i == ip ) &
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. or . . not . iand ( debug_level ( debug_constitutive ) , debug_levelSelective ) / = 0_pInt ) ) then
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write ( 6 , '(/,a,i8,1x,i2,1x,i1,/)' ) '<< CONST >> nonlocal_microstructure at el ip ' , el , ip
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write ( 6 , '(a,/,12x,12(e10.3,1x))' ) '<< CONST >> rhoForest' , rhoForest
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write ( 6 , '(a,/,12x,12(f10.5,1x))' ) '<< CONST >> tauThreshold / MPa' , tauThreshold * 1e-6
write ( 6 , '(a,/,12x,12(f10.5,1x),/)' ) '<< CONST >> tauBack / MPa' , tauBack * 1e-6
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endif
#endif
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end associate
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end subroutine plastic_nonlocal_microstructure
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates kinetics
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_kinetics ( v , dv_dtau , dv_dtauNS , tau , tauNS , &
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tauThreshold , c , Temperature , ip , el )
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use debug , only : debug_level , &
debug_constitutive , &
debug_levelExtensive , &
debug_levelSelective , &
debug_i , &
debug_e
use material , only : material_phase , &
phase_plasticityInstance
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implicit none
!*** input variables
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integer ( pInt ) , intent ( in ) :: ip , & !< current integration point
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el , & !< current element number
c !< dislocation character (1:edge, 2:screw)
real ( pReal ) , intent ( in ) :: Temperature !< temperature
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) , &
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intent ( in ) :: tau , & !< resolved external shear stress (without non Schmid effects)
tauNS , & !< resolved external shear stress (including non Schmid effects)
tauThreshold !< threshold shear stress
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!*** output variables
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) , &
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intent ( out ) :: v , & !< velocity
dv_dtau , & !< velocity derivative with respect to resolved shear stress (without non Schmid contributions)
dv_dtauNS !< velocity derivative with respect to resolved shear stress (including non Schmid contributions)
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!*** local variables
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integer ( pInt ) :: instance , & !< current instance of this plasticity
ns , & !< short notation for the total number of active slip systems
s !< index of my current slip system
real ( pReal ) tauRel_P , &
tauRel_S , &
tauEff , & !< effective shear stress
tPeierls , & !< waiting time in front of a peierls barriers
tSolidSolution , & !< waiting time in front of a solid solution obstacle
vViscous , & !< viscous glide velocity
dtPeierls_dtau , & !< derivative with respect to resolved shear stress
dtSolidSolution_dtau , & !< derivative with respect to resolved shear stress
meanfreepath_S , & !< mean free travel distance for dislocations between two solid solution obstacles
meanfreepath_P , & !< mean free travel distance for dislocations between two Peierls barriers
jumpWidth_P , & !< depth of activated area
jumpWidth_S , & !< depth of activated area
activationLength_P , & !< length of activated dislocation line
activationLength_S , & !< length of activated dislocation line
activationVolume_P , & !< volume that needs to be activated to overcome barrier
activationVolume_S , & !< volume that needs to be activated to overcome barrier
activationEnergy_P , & !< energy that is needed to overcome barrier
activationEnergy_S , & !< energy that is needed to overcome barrier
criticalStress_P , & !< maximum obstacle strength
criticalStress_S , & !< maximum obstacle strength
mobility !< dislocation mobility
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instance = phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) )
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ns = totalNslip ( instance )
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v = 0.0_pReal
dv_dtau = 0.0_pReal
dv_dtauNS = 0.0_pReal
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if ( Temperature > 0.0_pReal ) then
do s = 1_pInt , ns
if ( abs ( tau ( s ) ) > tauThreshold ( s ) ) then
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!* Peierls contribution
!* Effective stress includes non Schmid constributions
!* 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
meanfreepath_P = burgers ( s , instance )
jumpWidth_P = burgers ( s , instance )
activationLength_P = doublekinkwidth ( instance ) * burgers ( s , instance )
activationVolume_P = activationLength_P * jumpWidth_P * burgers ( s , instance )
criticalStress_P = peierlsStress ( s , c , instance )
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
tPeierls = 1.0_pReal / fattack ( instance ) &
* exp ( activationEnergy_P / ( KB * Temperature ) &
* ( 1.0_pReal - tauRel_P ** pParam ( instance ) ) ** qParam ( instance ) )
if ( tauEff < criticalStress_P ) then
dtPeierls_dtau = tPeierls * pParam ( instance ) * qParam ( instance ) * activationVolume_P / ( KB * Temperature ) &
* ( 1.0_pReal - tauRel_P ** pParam ( instance ) ) ** ( qParam ( instance ) - 1.0_pReal ) &
* tauRel_P ** ( pParam ( instance ) - 1.0_pReal )
else
dtPeierls_dtau = 0.0_pReal
endif
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!* Contribution from solid solution strengthening
!* The derivative only gives absolute values; the correct sign is taken care of in the formula for the derivative of the velocity
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tauEff = abs ( tau ( s ) ) - tauThreshold ( s )
meanfreepath_S = burgers ( s , instance ) / sqrt ( solidSolutionConcentration ( instance ) )
jumpWidth_S = solidSolutionSize ( instance ) * burgers ( s , instance )
activationLength_S = burgers ( s , instance ) / sqrt ( solidSolutionConcentration ( instance ) )
activationVolume_S = activationLength_S * jumpWidth_S * burgers ( s , instance )
activationEnergy_S = solidSolutionEnergy ( instance )
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
tSolidSolution = 1.0_pReal / fattack ( instance ) &
* exp ( activationEnergy_S / ( KB * Temperature ) &
* ( 1.0_pReal - tauRel_S ** pParam ( instance ) ) ** qParam ( instance ) )
if ( tauEff < criticalStress_S ) then
dtSolidSolution_dtau = tSolidSolution * pParam ( instance ) * qParam ( instance ) &
* activationVolume_S / ( KB * Temperature ) &
* ( 1.0_pReal - tauRel_S ** pParam ( instance ) ) ** ( qParam ( instance ) - 1.0_pReal ) &
* tauRel_S ** ( pParam ( instance ) - 1.0_pReal )
else
dtSolidSolution_dtau = 0.0_pReal
endif
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!* viscous glide velocity
tauEff = abs ( tau ( s ) ) - tauThreshold ( s )
mobility = burgers ( s , instance ) / viscosity ( instance )
vViscous = mobility * tauEff
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!* Mean velocity results from waiting time at peierls barriers and solid solution obstacles with respective meanfreepath of
!* free flight at glide velocity in between.
!* adopt sign from resolved stress
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v ( s ) = sign ( 1.0_pReal , tau ( s ) ) &
/ ( tPeierls / meanfreepath_P + tSolidSolution / meanfreepath_S + 1.0_pReal / vViscous )
dv_dtau ( s ) = v ( s ) * v ( s ) * ( dtSolidSolution_dtau / meanfreepath_S &
+ mobility / ( vViscous * vViscous ) )
dv_dtauNS ( s ) = v ( s ) * v ( s ) * dtPeierls_dtau / meanfreepath_P
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endif
enddo
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endif
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
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#ifdef DEBUG
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if ( iand ( debug_level ( debug_constitutive ) , debug_levelExtensive ) / = 0_pInt &
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. and . ( ( debug_e == el . and . debug_i == ip ) &
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. or . . not . iand ( debug_level ( debug_constitutive ) , debug_levelSelective ) / = 0_pInt ) ) then
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write ( 6 , '(/,a,i8,1x,i2,1x,i1,/)' ) '<< CONST >> nonlocal_kinetics at el ip' , el , ip
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write ( 6 , '(a,/,12x,12(f12.5,1x))' ) '<< CONST >> tauThreshold / MPa' , tauThreshold * 1e-6_pReal
write ( 6 , '(a,/,12x,12(f12.5,1x))' ) '<< CONST >> tau / MPa' , tau * 1e-6_pReal
write ( 6 , '(a,/,12x,12(f12.5,1x))' ) '<< CONST >> tauNS / MPa' , tauNS * 1e-6_pReal
write ( 6 , '(a,/,12x,12(f12.5,1x))' ) '<< CONST >> v / mm/s' , v * 1e3
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write ( 6 , '(a,/,12x,12(e12.5,1x))' ) '<< CONST >> dv_dtau' , dv_dtau
write ( 6 , '(a,/,12x,12(e12.5,1x))' ) '<< CONST >> dv_dtauNS' , dv_dtauNS
endif
#endif
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end subroutine plastic_nonlocal_kinetics
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!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!--------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_LpAndItsTangent ( Lp , dLp_dMp , Mp , Temperature , ip , el )
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use math , only : math_3333to99 , &
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math_mul6x6 , &
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math_mul33xx33 , &
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math_6toSym33
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use debug , only : debug_level , &
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debug_constitutive , &
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debug_levelExtensive , &
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debug_levelSelective , &
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debug_i , &
debug_e
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use material , only : material_phase , &
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plasticState , &
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phaseAt , phasememberAt , &
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phase_plasticityInstance
use mesh , only : mesh_ipVolume
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implicit none
!*** input variables
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integer ( pInt ) , intent ( in ) :: ip , & !< current integration point
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el !< current element number
real ( pReal ) , intent ( in ) :: Temperature !< temperature
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real ( pReal ) , dimension ( 3 , 3 ) , intent ( in ) :: Mp
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!*** output variables
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real ( pReal ) , dimension ( 3 , 3 ) , intent ( out ) :: Lp !< plastic velocity gradient
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real ( pReal ) , dimension ( 3 , 3 , 3 , 3 ) , intent ( out ) :: dLp_dMp !< derivative of Lp with respect to Tstar (9x9 matrix)
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!*** local variables
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integer ( pInt ) instance , & !< current instance of this plasticity
ns , & !< short notation for the total number of active slip systems
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i , &
j , &
k , &
l , &
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ph , & !phase number
of , & !offset
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t , & !< dislocation type
s , & !< index of my current slip system
sLattice !< index of my current slip system according to lattice order
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 8 ) :: &
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rhoSgl !< single dislocation densities (including blocked)
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 4 ) :: &
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v , & !< velocity
tauNS , & !< resolved shear stress including non Schmid and backstress terms
dv_dtau , & !< velocity derivative with respect to the shear stress
dv_dtauNS !< velocity derivative with respect to the shear stress
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) :: &
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tau , & !< resolved shear stress including backstress terms
gdotTotal , & !< shear rate
tauBack , & !< back stress from dislocation gradients on same slip system
tauThreshold !< threshold shear stress
!*** shortcut for mapping
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ph = phaseAt ( 1_pInt , ip , el )
of = phasememberAt ( 1_pInt , ip , el )
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!*** initialize local variables
Lp = 0.0_pReal
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dLp_dMp = 0.0_pReal
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instance = phase_plasticityInstance ( ph )
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associate ( prm = > param ( instance ) )
ns = prm % totalNslip
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!*** shortcut to state variables
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forall ( s = 1_pInt : ns , t = 1_pInt : 4_pInt )
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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 )
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endforall
where ( abs ( rhoSgl ) * mesh_ipVolume ( ip , el ) ** 0.667_pReal < significantN ( instance ) &
. or . abs ( rhoSgl ) < significantRho ( instance ) ) &
rhoSgl = 0.0_pReal
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tauBack = plasticState ( ph ) % state ( iTauB ( 1 : ns , instance ) , of )
tauThreshold = plasticState ( ph ) % state ( iTauF ( 1 : ns , instance ) , of )
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!*** get resolved shear stress
!*** for screws possible non-schmid contributions are also taken into account
do s = 1_pInt , ns
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tau ( s ) = math_mul33xx33 ( Mp , prm % Schmid ( 1 : 3 , 1 : 3 , s ) )
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tauNS ( s , 1 ) = tau ( s )
tauNS ( s , 2 ) = tau ( s )
if ( tau ( s ) > 0.0_pReal ) then
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tauNS ( s , 3 ) = math_mul33xx33 ( Mp , + prm % nonSchmid_pos ( 1 : 3 , 1 : 3 , s ) )
tauNS ( s , 4 ) = math_mul33xx33 ( Mp , - prm % nonSchmid_neg ( 1 : 3 , 1 : 3 , s ) )
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else
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tauNS ( s , 3 ) = math_mul33xx33 ( Mp , + prm % nonSchmid_neg ( 1 : 3 , 1 : 3 , s ) )
tauNS ( s , 4 ) = math_mul33xx33 ( Mp , - prm % nonSchmid_pos ( 1 : 3 , 1 : 3 , s ) )
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endif
enddo
forall ( t = 1_pInt : 4_pInt ) &
tauNS ( 1 : ns , t ) = tauNS ( 1 : ns , t ) + tauBack ! add backstress
tau = tau + tauBack ! add backstress
!*** get dislocation velocity and its tangent and store the velocity in the state array
! edges
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call plastic_nonlocal_kinetics ( v ( 1 : ns , 1 ) , dv_dtau ( 1 : ns , 1 ) , dv_dtauNS ( 1 : ns , 1 ) , &
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tau ( 1 : ns ) , tauNS ( 1 : ns , 1 ) , tauThreshold ( 1 : ns ) , &
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1_pInt , Temperature , ip , el )
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v ( 1 : ns , 2 ) = v ( 1 : ns , 1 )
dv_dtau ( 1 : ns , 2 ) = dv_dtau ( 1 : ns , 1 )
dv_dtauNS ( 1 : ns , 2 ) = dv_dtauNS ( 1 : ns , 1 )
!screws
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if ( size ( prm % nonSchmidCoeff ) == 0_pInt ) then ! no non-Schmid contributions
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forall ( t = 3_pInt : 4_pInt )
v ( 1 : ns , t ) = v ( 1 : ns , 1 )
dv_dtau ( 1 : ns , t ) = dv_dtau ( 1 : ns , 1 )
dv_dtauNS ( 1 : ns , t ) = dv_dtauNS ( 1 : ns , 1 )
endforall
else ! take non-Schmid contributions into account
do t = 3_pInt , 4_pInt
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call plastic_nonlocal_kinetics ( v ( 1 : ns , t ) , dv_dtau ( 1 : ns , t ) , dv_dtauNS ( 1 : ns , t ) , &
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tau ( 1 : ns ) , tauNS ( 1 : ns , t ) , tauThreshold ( 1 : ns ) , &
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2_pInt , Temperature , ip , el )
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enddo
endif
!*** store velocity in state
forall ( t = 1_pInt : 4_pInt ) &
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plasticState ( ph ) % state ( iV ( 1 : ns , t , instance ) , of ) = v ( 1 : ns , t )
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!*** Bauschinger effect
forall ( s = 1_pInt : ns , t = 5_pInt : 8_pInt , rhoSgl ( s , t ) * v ( s , t - 4_pInt ) < 0.0_pReal ) &
rhoSgl ( s , t - 4_pInt ) = rhoSgl ( s , t - 4_pInt ) + abs ( rhoSgl ( s , t ) )
!*** Calculation of Lp and its tangent
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gdotTotal = sum ( rhoSgl ( 1 : ns , 1 : 4 ) * v , 2 ) * prm % burgers ( 1 : ns )
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do s = 1_pInt , ns
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Lp = Lp + gdotTotal ( s ) * prm % Schmid ( 1 : 3 , 1 : 3 , s )
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! Schmid contributions to tangent
forall ( i = 1_pInt : 3_pInt , j = 1_pInt : 3_pInt , k = 1_pInt : 3_pInt , l = 1_pInt : 3_pInt ) &
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dLp_dMp ( i , j , k , l ) = dLp_dMp ( i , j , k , l ) &
+ prm % Schmid ( i , j , s ) * prm % Schmid ( k , l , s ) &
* sum ( rhoSgl ( s , 1 : 4 ) * dv_dtau ( s , 1 : 4 ) ) * prm % burgers ( s )
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! non Schmid contributions to tangent
if ( tau ( s ) > 0.0_pReal ) then
forall ( i = 1_pInt : 3_pInt , j = 1_pInt : 3_pInt , k = 1_pInt : 3_pInt , l = 1_pInt : 3_pInt ) &
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dLp_dMp ( i , j , k , l ) = dLp_dMp ( i , j , k , l ) &
+ prm % Schmid ( i , j , s ) &
* ( prm % nonSchmid_pos ( k , l , s ) * rhoSgl ( s , 3 ) * dv_dtauNS ( s , 3 ) &
- prm % nonSchmid_neg ( k , l , s ) * rhoSgl ( s , 4 ) * dv_dtauNS ( s , 4 ) ) &
* prm % burgers ( s )
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else
forall ( i = 1_pInt : 3_pInt , j = 1_pInt : 3_pInt , k = 1_pInt : 3_pInt , l = 1_pInt : 3_pInt ) &
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dLp_dMp ( i , j , k , l ) = dLp_dMp ( i , j , k , l ) &
+ prm % Schmid ( i , j , s ) &
* ( prm % nonSchmid_neg ( k , l , s ) * rhoSgl ( s , 3 ) * dv_dtauNS ( s , 3 ) &
- prm % nonSchmid_pos ( k , l , s ) * rhoSgl ( s , 4 ) * dv_dtauNS ( s , 4 ) ) &
* prm % burgers ( s )
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endif
enddo
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end associate
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end subroutine plastic_nonlocal_LpAndItsTangent
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!--------------------------------------------------------------------------------------------------
!> @brief (instantaneous) incremental change of microstructure
!--------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_deltaState ( Mp , ip , el )
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use prec , only : &
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dNeq0
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use debug , only : debug_level , &
debug_constitutive , &
debug_levelBasic , &
debug_levelExtensive , &
debug_levelSelective , &
debug_i , &
debug_e
use math , only : pi , &
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math_mul33xx33
use lattice , only : lattice_mu , &
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lattice_nu
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use mesh , only : mesh_ipVolume
use material , only : material_phase , &
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plasticState , &
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phaseAt , phasememberAt , &
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phase_plasticityInstance
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implicit none
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integer ( pInt ) , intent ( in ) :: ip , & ! current grain number
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el ! current element number
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real ( pReal ) , dimension ( 3 , 3 ) , intent ( in ) :: Mp !< MandelStress
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integer ( pInt ) :: &
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ph , & !< phase
of !< offset
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integer ( pInt ) :: instance , & ! current instance of this plasticity
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ns , & ! short notation for the total number of active slip systems
c , & ! character of dislocation
t , & ! type of dislocation
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s , & ! index of my current slip system
sLattice ! index of my current slip system according to lattice order
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1 , ip , el ) ) ) , 10 ) :: &
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deltaRho , & ! density increment
deltaRhoRemobilization , & ! density increment by remobilization
deltaRhoDipole2SingleStress ! density increment by dipole dissociation (by stress change)
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1 , ip , el ) ) ) , 8 ) :: &
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rhoSgl ! current single dislocation densities (positive/negative screw and edge without dipoles)
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1 , ip , el ) ) ) , 4 ) :: &
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v ! dislocation glide velocity
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1 , ip , el ) ) ) ) :: &
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tau , & ! current resolved shear stress
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tauBack ! current back stress from pileups on same slip system
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1 , ip , el ) ) ) , 2 ) :: &
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rhoDip , & ! current dipole dislocation densities (screw and edge dipoles)
dLower , & ! minimum stable dipole distance for edges and screws
dUpper , & ! current maximum stable dipole distance for edges and screws
dUpperOld , & ! old maximum stable dipole distance for edges and screws
deltaDUpper ! change in maximum stable dipole distance for edges and screws
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#ifdef DEBUG
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if ( iand ( debug_level ( debug_constitutive ) , debug_levelBasic ) / = 0_pInt &
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. and . ( ( debug_e == el . and . debug_i == ip ) &
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. or . . not . iand ( debug_level ( debug_constitutive ) , debug_levelSelective ) / = 0_pInt ) ) &
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write ( 6 , '(/,a,i8,1x,i2,1x,i1,/)' ) '<< CONST >> nonlocal_deltaState at el ip ' , el , ip
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#endif
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ph = phaseAt ( 1 , ip , el )
of = phasememberAt ( 1 , ip , el )
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instance = phase_plasticityInstance ( ph )
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associate ( prm = > param ( instance ) )
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ns = totalNslip ( instance )
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!*** shortcut to state variables
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forall ( s = 1_pInt : ns , t = 1_pInt : 4_pInt )
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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 )
v ( s , t ) = plasticState ( ph ) % state ( iV ( s , t , instance ) , of )
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endforall
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forall ( s = 1_pInt : ns , c = 1_pInt : 2_pInt )
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rhoDip ( s , c ) = max ( plasticState ( ph ) % state ( iRhoD ( s , c , instance ) , of ) , 0.0_pReal ) ! ensure positive dipole densities
dUpperOld ( s , c ) = plasticState ( ph ) % state ( iD ( s , c , instance ) , of )
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endforall
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tauBack = plasticState ( ph ) % state ( iTauB ( 1 : ns , instance ) , of )
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where ( abs ( rhoSgl ) * mesh_ipVolume ( ip , el ) ** 0.667_pReal < significantN ( instance ) &
. or . abs ( rhoSgl ) < significantRho ( instance ) ) &
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rhoSgl = 0.0_pReal
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where ( abs ( rhoDip ) * mesh_ipVolume ( ip , el ) ** 0.667_pReal < significantN ( instance ) &
. or . abs ( rhoDip ) < significantRho ( instance ) ) &
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rhoDip = 0.0_pReal
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!****************************************************************************
!*** dislocation remobilization (bauschinger effect)
deltaRhoRemobilization = 0.0_pReal
do t = 1_pInt , 4_pInt
do s = 1_pInt , ns
if ( rhoSgl ( s , t + 4_pInt ) * v ( s , t ) < 0.0_pReal ) then
deltaRhoRemobilization ( s , t ) = abs ( rhoSgl ( s , t + 4_pInt ) )
rhoSgl ( s , t ) = rhoSgl ( s , t ) + abs ( rhoSgl ( s , t + 4_pInt ) )
deltaRhoRemobilization ( s , t + 4_pInt ) = - rhoSgl ( s , t + 4_pInt )
rhoSgl ( s , t + 4_pInt ) = 0.0_pReal
endif
enddo
enddo
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!****************************************************************************
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!*** calculate dipole formation and dissociation by stress change
!*** calculate limits for stable dipole height
do s = 1_pInt , ns
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tau ( s ) = math_mul33xx33 ( Mp , prm % Schmid ( 1 : 3 , 1 : 3 , s ) ) + tauBack ( s )
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if ( abs ( tau ( s ) ) < 1.0e-15_pReal ) tau ( s ) = 1.0e-15_pReal
enddo
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dLower = minDipoleHeight ( 1 : ns , 1 : 2 , instance )
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dUpper ( 1 : ns , 1 ) = lattice_mu ( ph ) * burgers ( 1 : ns , instance ) &
/ ( 8.0_pReal * pi * ( 1.0_pReal - lattice_nu ( ph ) ) * abs ( tau ) )
dUpper ( 1 : ns , 2 ) = lattice_mu ( ph ) * burgers ( 1 : ns , instance ) / ( 4.0_pReal * pi * abs ( tau ) )
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forall ( c = 1_pInt : 2_pInt )
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where ( dNeq0 ( sqrt ( rhoSgl ( 1 : ns , 2 * c - 1 ) + rhoSgl ( 1 : ns , 2 * c ) + abs ( rhoSgl ( 1 : ns , 2 * c + 3 ) ) &
+ abs ( rhoSgl ( 1 : ns , 2 * c + 4 ) ) + rhoDip ( 1 : ns , c ) ) ) ) &
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dUpper ( 1 : ns , c ) = min ( 1.0_pReal / sqrt ( rhoSgl ( 1 : ns , 2 * c - 1 ) + rhoSgl ( 1 : ns , 2 * c ) &
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+ abs ( rhoSgl ( 1 : ns , 2 * c + 3 ) ) + abs ( rhoSgl ( 1 : ns , 2 * c + 4 ) ) + rhoDip ( 1 : ns , c ) ) , &
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dUpper ( 1 : ns , c ) )
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end forall
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dUpper = max ( dUpper , dLower )
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deltaDUpper = dUpper - dUpperOld
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!*** dissociation by stress increase
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deltaRhoDipole2SingleStress = 0.0_pReal
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forall ( c = 1_pInt : 2_pInt , s = 1_pInt : ns , deltaDUpper ( s , c ) < 0.0_pReal . and . &
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dNeq0 ( dUpperOld ( s , c ) - dLower ( s , c ) ) ) &
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deltaRhoDipole2SingleStress ( s , 8_pInt + c ) = rhoDip ( s , c ) * deltaDUpper ( s , c ) &
/ ( dUpperOld ( s , c ) - dLower ( s , c ) )
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forall ( t = 1_pInt : 4_pInt ) &
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deltaRhoDipole2SingleStress ( 1_pInt : ns , t ) = - 0.5_pReal &
* deltaRhoDipole2SingleStress ( 1_pInt : ns , ( t - 1_pInt ) / 2_pInt + 9_pInt )
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!*** store new maximum dipole height in state
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forall ( s = 1_pInt : ns , c = 1_pInt : 2_pInt ) &
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plasticState ( ph ) % state ( iD ( s , c , instance ) , of ) = dUpper ( s , c )
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!****************************************************************************
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!*** assign the changes in the dislocation densities to deltaState
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deltaRho = deltaRhoRemobilization &
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+ deltaRhoDipole2SingleStress
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plasticState ( ph ) % deltaState ( : , of ) = 0.0_pReal
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forall ( s = 1 : ns , t = 1_pInt : 4_pInt )
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plasticState ( ph ) % deltaState ( iRhoU ( s , t , instance ) , of ) = deltaRho ( s , t )
plasticState ( ph ) % deltaState ( iRhoB ( s , t , instance ) , of ) = deltaRho ( s , t + 4_pInt )
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endforall
forall ( s = 1 : ns , c = 1_pInt : 2_pInt ) &
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plasticState ( ph ) % deltaState ( iRhoD ( s , c , instance ) , of ) = deltaRho ( s , c + 8_pInt )
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#ifdef DEBUG
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if ( iand ( debug_level ( debug_constitutive ) , debug_levelExtensive ) / = 0_pInt &
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. and . ( ( debug_e == el . and . debug_i == ip ) &
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. or . . not . iand ( debug_level ( debug_constitutive ) , debug_levelSelective ) / = 0_pInt ) ) then
write ( 6 , '(a,/,8(12x,12(e12.5,1x),/))' ) '<< CONST >> dislocation remobilization' , deltaRhoRemobilization ( 1 : ns , 1 : 8 )
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write ( 6 , '(a,/,10(12x,12(e12.5,1x),/),/)' ) '<< CONST >> dipole dissociation by stress increase' , deltaRhoDipole2SingleStress
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endif
#endif
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end associate
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end subroutine plastic_nonlocal_deltaState
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!---------------------------------------------------------------------------------------------------
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!> @brief calculates the rate of change of microstructure
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!---------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_dotState ( Mp , Fe , Fp , Temperature , &
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timestep , subfrac , ip , el )
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use , intrinsic :: &
IEEE_arithmetic
use prec , only : dNeq0 , &
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dNeq , &
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dEq0
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use numerics , only : numerics_timeSyncing
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use IO , only : IO_error
use debug , only : debug_level , &
debug_constitutive , &
debug_levelBasic , &
debug_levelExtensive , &
debug_levelSelective , &
debug_g , &
debug_i , &
debug_e
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use math , only : math_mul3x3 , &
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math_mul33x3 , &
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math_mul33xx33 , &
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math_mul33x33 , &
math_inv33 , &
math_det33 , &
pi
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use mesh , only : theMesh , &
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mesh_element , &
mesh_ipNeighborhood , &
mesh_ipVolume , &
mesh_ipArea , &
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mesh_ipAreaNormal
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use material , only : homogenization_maxNgrains , &
material_phase , &
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phase_plasticityInstance , &
phase_localPlasticity , &
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plasticState , &
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phaseAt , phasememberAt , &
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phase_plasticity , &
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PLASTICITY_NONLOCAL_ID
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use lattice , only : lattice_sd , &
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lattice_st , &
lattice_mu , &
lattice_nu , &
lattice_structure , &
LATTICE_bcc_ID , &
LATTICE_fcc_ID
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implicit none
!*** input variables
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integer ( pInt ) , intent ( in ) :: ip , & !< current integration point
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el !< current element number
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real ( pReal ) , intent ( in ) :: Temperature , & !< temperature
timestep !< substepped crystallite time increment
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real ( pReal ) , dimension ( 3 , 3 ) , intent ( in ) :: Mp !< MandelStress
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real ( pReal ) , dimension ( homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , intent ( in ) :: &
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subfrac !< fraction of timestep at the beginning of the substepped crystallite time increment
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real ( pReal ) , dimension ( 3 , 3 , homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , intent ( in ) :: &
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Fe , & !< elastic deformation gradient
Fp !< plastic deformation gradient
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!*** local variables
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integer ( pInt ) :: ph , &
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instance , & !< current instance of this plasticity
neighbor_instance , & !< instance of my neighbor's plasticity
ns , & !< short notation for the total number of active slip systems
c , & !< character of dislocation
n , & !< index of my current neighbor
neighbor_el , & !< element number of my neighbor
neighbor_ip , & !< integration point of my neighbor
neighbor_n , & !< neighbor index pointing to me when looking from my neighbor
opposite_neighbor , & !< index of my opposite neighbor
opposite_ip , & !< ip of my opposite neighbor
opposite_el , & !< element index of my opposite neighbor
opposite_n , & !< neighbor index pointing to me when looking from my opposite neighbor
t , & !< type of dislocation
o , & !< offset shortcut
no , & !< neighbour offset shortcut
p , & !< phase shortcut
np , & !< neighbour phase shortcut
topp , & !< type of dislocation with opposite sign to t
s , & !< index of my current slip system
sLattice !< index of my current slip system according to lattice order
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 10 ) :: &
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rhoDot , & !< density evolution
rhoDotMultiplication , & !< density evolution by multiplication
rhoDotFlux , & !< density evolution by flux
rhoDotSingle2DipoleGlide , & !< density evolution by dipole formation (by glide)
rhoDotAthermalAnnihilation , & !< density evolution by athermal annihilation
rhoDotThermalAnnihilation !< density evolution by thermal annihilation
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 8 ) :: &
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rhoSgl , & !< current single dislocation densities (positive/negative screw and edge without dipoles)
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rhoSglOriginal , &
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neighbor_rhoSgl , & !< current single dislocation densities of neighboring ip (positive/negative screw and edge without dipoles)
rhoSgl0 , & !< single dislocation densities at start of cryst inc (positive/negative screw and edge without dipoles)
my_rhoSgl !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 4 ) :: &
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v , & !< current dislocation glide velocity
v0 , & !< dislocation glide velocity at start of cryst inc
my_v , & !< dislocation glide velocity of central ip
neighbor_v , & !< dislocation glide velocity of enighboring ip
gdot !< shear rates
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) :: &
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rhoForest , & !< forest dislocation density
tauThreshold , & !< threshold shear stress
tau , & !< current resolved shear stress
tauBack , & !< current back stress from pileups on same slip system
vClimb , & !< climb velocity of edge dipoles
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nSources
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 2 ) :: &
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rhoDip , & !< current dipole dislocation densities (screw and edge dipoles)
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rhoDipOriginal , &
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dLower , & !< minimum stable dipole distance for edges and screws
dUpper !< current maximum stable dipole distance for edges and screws
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real ( pReal ) , dimension ( 3 , totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 4 ) :: &
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m !< direction of dislocation motion
real ( pReal ) , dimension ( 3 , 3 ) :: my_F , & !< my total deformation gradient
neighbor_F , & !< total deformation gradient of my neighbor
my_Fe , & !< my elastic deformation gradient
neighbor_Fe , & !< elastic deformation gradient of my neighbor
Favg !< average total deformation gradient of me and my neighbor
real ( pReal ) , dimension ( 3 ) :: normal_neighbor2me , & !< interface normal pointing from my neighbor to me in neighbor's lattice configuration
normal_neighbor2me_defConf , & !< interface normal pointing from my neighbor to me in shared deformed configuration
normal_me2neighbor , & !< interface normal pointing from me to my neighbor in my lattice configuration
normal_me2neighbor_defConf !< interface normal pointing from me to my neighbor in shared deformed configuration
real ( pReal ) area , & !< area of the current interface
transmissivity , & !< overall transmissivity of dislocation flux to neighboring material point
lineLength , & !< dislocation line length leaving the current interface
selfDiffusion , & !< self diffusion
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rnd , &
meshlength
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logical considerEnteringFlux , &
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considerLeavingFlux
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p = phaseAt ( 1 , ip , el )
o = phasememberAt ( 1 , ip , el )
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#ifdef DEBUG
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if ( iand ( debug_level ( debug_constitutive ) , debug_levelBasic ) / = 0_pInt &
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. and . ( ( debug_e == el . and . debug_i == ip ) &
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. or . . not . iand ( debug_level ( debug_constitutive ) , debug_levelSelective ) / = 0_pInt ) ) &
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write ( 6 , '(/,a,i8,1x,i2,/)' ) '<< CONST >> nonlocal_dotState at el ip ' , el , ip
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#endif
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ph = material_phase ( 1_pInt , ip , el )
instance = phase_plasticityInstance ( ph )
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associate ( prm = > param ( instance ) )
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ns = totalNslip ( instance )
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tau = 0.0_pReal
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gdot = 0.0_pReal
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!*** shortcut to state variables
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forall ( s = 1_pInt : ns , t = 1_pInt : 4_pInt )
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rhoSgl ( s , t ) = max ( plasticState ( p ) % state ( iRhoU ( s , t , instance ) , o ) , 0.0_pReal ) ! ensure positive single mobile densities
rhoSgl ( s , t + 4_pInt ) = plasticState ( p ) % state ( iRhoB ( s , t , instance ) , o )
v ( s , t ) = plasticState ( p ) % state ( iV ( s , t , instance ) , o )
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endforall
forall ( s = 1_pInt : ns , c = 1_pInt : 2_pInt )
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rhoDip ( s , c ) = max ( plasticState ( p ) % state ( iRhoD ( s , c , instance ) , o ) , 0.0_pReal ) ! ensure positive dipole densities
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endforall
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rhoForest = plasticState ( p ) % state ( iRhoF ( 1 : ns , instance ) , o )
tauThreshold = plasticState ( p ) % state ( iTauF ( 1 : ns , instance ) , o )
tauBack = plasticState ( p ) % state ( iTauB ( 1 : ns , instance ) , o )
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rhoSglOriginal = rhoSgl
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rhoDipOriginal = rhoDip
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where ( abs ( rhoSgl ) * mesh_ipVolume ( ip , el ) ** 0.667_pReal < significantN ( instance ) &
. or . abs ( rhoSgl ) < significantRho ( instance ) ) &
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rhoSgl = 0.0_pReal
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where ( abs ( rhoDip ) * mesh_ipVolume ( ip , el ) ** 0.667_pReal < significantN ( instance ) &
. or . abs ( rhoDip ) < significantRho ( instance ) ) &
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rhoDip = 0.0_pReal
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if ( numerics_timeSyncing ) then
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forall ( s = 1_pInt : ns , t = 1_pInt : 4_pInt )
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rhoSgl0 ( s , t ) = max ( plasticState ( p ) % state0 ( iRhoU ( s , t , instance ) , o ) , 0.0_pReal )
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rhoSgl0 ( s , t + 4_pInt ) = plasticState ( p ) % state0 ( iRhoB ( s , t , instance ) , o )
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v0 ( s , t ) = plasticState ( p ) % state0 ( iV ( s , t , instance ) , o )
2014-06-26 19:23:12 +05:30
endforall
2014-02-28 18:33:21 +05:30
where ( abs ( rhoSgl0 ) * mesh_ipVolume ( ip , el ) ** 0.667_pReal < significantN ( instance ) &
. or . abs ( rhoSgl0 ) < significantRho ( instance ) ) &
2013-05-24 17:18:34 +05:30
rhoSgl0 = 0.0_pReal
endif
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
2010-03-04 22:44:47 +05:30
!*** sanity check for timestep
2014-07-02 17:57:39 +05:30
if ( timestep < = 0.0_pReal ) then ! if illegal timestep... Why here and not on function entry??
plasticState ( p ) % dotState = 0.0_pReal ! ...return without doing anything (-> zero dotState)
2010-03-04 22:44:47 +05:30
return
endif
2009-08-11 22:01:57 +05:30
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
2009-08-12 16:52:02 +05:30
!****************************************************************************
!*** Calculate shear rate
2012-02-13 19:48:07 +05:30
forall ( t = 1_pInt : 4_pInt ) &
2014-02-28 18:33:21 +05:30
gdot ( 1_pInt : ns , t ) = rhoSgl ( 1_pInt : ns , t ) * burgers ( 1 : ns , instance ) * v ( 1 : ns , t )
2010-01-05 21:37:24 +05:30
2017-10-03 18:50:53 +05:30
#ifdef DEBUG
2012-07-05 15:24:50 +05:30
if ( iand ( debug_level ( debug_constitutive ) , debug_levelBasic ) / = 0_pInt &
2014-07-02 17:57:39 +05:30
. and . ( ( debug_e == el . and . debug_i == ip ) &
2012-07-05 15:24:50 +05:30
. or . . not . iand ( debug_level ( debug_constitutive ) , debug_levelSelective ) / = 0_pInt ) ) then
2012-02-02 01:50:05 +05:30
write ( 6 , '(a,/,10(12x,12(e12.5,1x),/))' ) '<< CONST >> rho / 1/m^2' , rhoSgl , rhoDip
write ( 6 , '(a,/,4(12x,12(e12.5,1x),/))' ) '<< CONST >> gdot / 1/s' , gdot
2011-03-29 12:57:19 +05:30
endif
#endif
2010-10-26 19:12:18 +05:30
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
2009-08-12 16:52:02 +05:30
!****************************************************************************
2011-02-25 15:23:20 +05:30
!*** calculate limits for stable dipole height
2010-02-17 18:51:36 +05:30
2012-02-23 22:13:17 +05:30
do s = 1_pInt , ns ! loop over slip systems
2019-02-17 16:45:46 +05:30
tau ( s ) = math_mul33xx33 ( Mp , prm % Schmid ( 1 : 3 , 1 : 3 , s ) ) + tauBack ( s )
2012-05-08 12:46:00 +05:30
if ( abs ( tau ( s ) ) < 1.0e-15_pReal ) tau ( s ) = 1.0e-15_pReal
2010-02-17 18:51:36 +05:30
enddo
2014-02-28 18:33:21 +05:30
dLower = minDipoleHeight ( 1 : ns , 1 : 2 , instance )
2014-07-02 17:57:39 +05:30
dUpper ( 1 : ns , 1 ) = lattice_mu ( ph ) * burgers ( 1 : ns , instance ) &
/ ( 8.0_pReal * pi * ( 1.0_pReal - lattice_nu ( ph ) ) * abs ( tau ) )
dUpper ( 1 : ns , 2 ) = lattice_mu ( ph ) * burgers ( 1 : ns , instance ) &
2012-07-24 20:20:11 +05:30
/ ( 4.0_pReal * pi * abs ( tau ) )
2014-06-27 01:31:38 +05:30
forall ( c = 1_pInt : 2_pInt )
2016-10-29 13:09:08 +05:30
where ( dNeq0 ( sqrt ( rhoSgl ( 1 : ns , 2 * c - 1 ) + rhoSgl ( 1 : ns , 2 * c ) + abs ( rhoSgl ( 1 : ns , 2 * c + 3 ) ) &
+ abs ( rhoSgl ( 1 : ns , 2 * c + 4 ) ) + rhoDip ( 1 : ns , c ) ) ) ) &
2014-06-27 01:31:38 +05:30
dUpper ( 1 : ns , c ) = min ( 1.0_pReal / sqrt ( rhoSgl ( 1 : ns , 2 * c - 1 ) + rhoSgl ( 1 : ns , 2 * c ) &
2013-05-24 01:26:36 +05:30
+ abs ( rhoSgl ( 1 : ns , 2 * c + 3 ) ) + abs ( rhoSgl ( 1 : ns , 2 * c + 4 ) ) + rhoDip ( 1 : ns , c ) ) , &
2012-10-29 18:32:01 +05:30
dUpper ( 1 : ns , c ) )
2014-06-27 01:31:38 +05:30
end forall
2012-05-20 19:27:35 +05:30
dUpper = max ( dUpper , dLower )
constitutive_nonlocal:
- read in activation energy for dislocation glide from material.config
- changed naming of dDipMin/Max to dLower/dUpper
- added new outputs: rho_dot, rho_dot_dip, rho_dot_gen, rho_dot_sgl2dip, rho_dot_dip2sgl, rho_dot_ann_ath, rho_dot_ann_the, rho_dot_flux, d_upper_edge, d_upper_screw, d_upper_dot_edge, d_upper_dot_screw
- poisson's ratio is now calculated from elastic constants
- microstrucutre has state as first argument, since this is our output variable
- periodic boundary conditions are taken into account for fluxes and internal stresses. for the moment, flag has to be set in constitutive_nonlocal.
- corrected calculation for dipole formation by glide
- added terms for dipole formation/annihilation by stress decrease/increase
constitutive:
- passing of arguments is adapted for constitutive_nonlocal model
crystallite:
- in stiffness calculation: call to collect_dotState used wrong arguments
- crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults
homogenization:
- crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults
IO:
- changed error message 229
material.config:
- changed example for nonlocal constitution according to constitutive_nonlocal
all:
- added some flush statements
2009-10-20 20:06:03 +05:30
!****************************************************************************
!*** calculate dislocation multiplication
2009-10-07 21:01:52 +05:30
2010-10-26 19:12:18 +05:30
rhoDotMultiplication = 0.0_pReal
2014-07-02 17:57:39 +05:30
if ( lattice_structure ( ph ) == LATTICE_bcc_ID ) then ! BCC
2013-08-05 14:56:37 +05:30
forall ( s = 1 : ns , sum ( abs ( v ( s , 1 : 4 ) ) ) > 0.0_pReal )
2014-03-09 02:20:31 +05:30
rhoDotMultiplication ( s , 1 : 2 ) = sum ( abs ( gdot ( s , 3 : 4 ) ) ) / burgers ( s , instance ) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt ( rhoForest ( s ) ) / lambda0 ( s , instance ) ! & ! mean free path
2013-11-21 19:05:43 +05:30
! * 2.0_pReal * sum(abs(v(s,3:4))) / sum(abs(v(s,1:4))) ! ratio of screw to overall velocity determines edge generation
2014-03-09 02:20:31 +05:30
rhoDotMultiplication ( s , 3 : 4 ) = sum ( abs ( gdot ( s , 3 : 4 ) ) ) / burgers ( s , instance ) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt ( rhoForest ( s ) ) / lambda0 ( s , instance ) ! & ! mean free path
2013-11-21 19:05:43 +05:30
! * 2.0_pReal * sum(abs(v(s,1:2))) / sum(abs(v(s,1:4))) ! ratio of edge to overall velocity determines screw generation
2013-08-05 14:56:37 +05:30
endforall
else ! ALL OTHER STRUCTURES
2014-02-28 18:33:21 +05:30
if ( probabilisticMultiplication ( instance ) ) then
2013-08-05 14:56:37 +05:30
meshlength = mesh_ipVolume ( ip , el ) ** 0.333_pReal
where ( sum ( rhoSgl ( 1 : ns , 1 : 4 ) , 2 ) > 0.0_pReal )
2014-02-28 18:33:21 +05:30
nSources = ( sum ( rhoSgl ( 1 : ns , 1 : 2 ) , 2 ) * fEdgeMultiplication ( instance ) + sum ( rhoSgl ( 1 : ns , 3 : 4 ) , 2 ) ) &
2014-06-26 19:23:12 +05:30
/ sum ( rhoSgl ( 1 : ns , 1 : 4 ) , 2 ) * meshlength / lambda0 ( 1 : ns , instance ) * sqrt ( rhoForest ( 1 : ns ) )
2013-08-05 14:56:37 +05:30
elsewhere
2014-02-28 18:33:21 +05:30
nSources = meshlength / lambda0 ( 1 : ns , instance ) * sqrt ( rhoForest ( 1 : ns ) )
2013-08-05 14:56:37 +05:30
endwhere
do s = 1_pInt , ns
if ( nSources ( s ) < 1.0_pReal ) then
2014-07-02 17:57:39 +05:30
if ( sourceProbability ( s , 1_pInt , ip , el ) > 1.0_pReal ) then
2013-08-05 14:56:37 +05:30
call random_number ( rnd )
2014-07-02 17:57:39 +05:30
sourceProbability ( s , 1_pInt , ip , el ) = rnd
2013-08-05 14:56:37 +05:30
!$OMP FLUSH(sourceProbability)
endif
2014-07-02 17:57:39 +05:30
if ( sourceProbability ( s , 1_pInt , ip , el ) > 1.0_pReal - nSources ( s ) ) then
2013-08-05 14:56:37 +05:30
rhoDotMultiplication ( s , 1 : 4 ) = sum ( rhoSglOriginal ( s , 1 : 4 ) * abs ( v ( s , 1 : 4 ) ) ) / meshlength
endif
else
2014-07-02 17:57:39 +05:30
sourceProbability ( s , 1_pInt , ip , el ) = 2.0_pReal
2013-08-05 14:56:37 +05:30
rhoDotMultiplication ( s , 1 : 4 ) = &
2014-02-28 18:33:21 +05:30
( sum ( abs ( gdot ( s , 1 : 2 ) ) ) * fEdgeMultiplication ( instance ) + sum ( abs ( gdot ( s , 3 : 4 ) ) ) ) &
/ burgers ( s , instance ) * sqrt ( rhoForest ( s ) ) / lambda0 ( s , instance )
2012-12-03 18:29:38 +05:30
endif
2013-08-05 14:56:37 +05:30
enddo
2017-10-03 18:50:53 +05:30
#ifdef DEBUG
2013-08-05 14:56:37 +05:30
if ( iand ( debug_level ( debug_constitutive ) , debug_levelExtensive ) / = 0_pInt &
2014-07-02 17:57:39 +05:30
. and . ( ( debug_e == el . and . debug_i == ip ) &
. or . . not . iand ( debug_level ( debug_constitutive ) , debug_levelSelective ) / = 0_pInt ) ) &
write ( 6 , '(a,/,4(12x,12(f12.5,1x),/,/))' ) '<< CONST >> sources' , nSources
2012-10-19 17:10:17 +05:30
#endif
2013-08-05 14:56:37 +05:30
else
rhoDotMultiplication ( 1 : ns , 1 : 4 ) = spread ( &
2014-02-28 18:33:21 +05:30
( 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 )
2013-08-05 14:56:37 +05:30
endif
2012-12-03 18:29:38 +05:30
endif
2009-08-11 22:01:57 +05:30
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
2009-08-12 16:52:02 +05:30
!****************************************************************************
2012-03-12 19:39:37 +05:30
!*** calculate dislocation fluxes (only for nonlocal plasticity)
2009-08-12 16:52:02 +05:30
2010-05-21 14:21:15 +05:30
rhoDotFlux = 0.0_pReal
2014-07-02 17:57:39 +05:30
!? why needed here
if ( . not . phase_localPlasticity ( material_phase ( 1_pInt , ip , el ) ) ) then ! only for nonlocal plasticity
2012-08-16 14:43:38 +05:30
!*** check CFL (Courant-Friedrichs-Lewy) condition for flux
2013-05-24 17:18:34 +05:30
if ( any ( abs ( gdot ) > 0.0_pReal & ! any active slip system ...
2014-02-28 18:33:21 +05:30
. and . CFLfactor ( instance ) * abs ( v ) * timestep &
2013-05-24 17:18:34 +05:30
> 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)
2017-10-03 18:50:53 +05:30
#ifdef DEBUG
2012-12-03 18:29:38 +05:30
if ( iand ( debug_level ( debug_constitutive ) , debug_levelExtensive ) / = 0_pInt ) then
2012-08-16 14:43:38 +05:30
write ( 6 , '(a,i5,a,i2)' ) '<< CONST >> CFL condition not fullfilled at el ' , el , ' ip ' , ip
2012-09-05 16:49:46 +05:30
write ( 6 , '(a,e10.3,a,e10.3)' ) '<< CONST >> velocity is at ' , &
2013-05-24 17:18:34 +05:30
maxval ( abs ( v ) , abs ( gdot ) > 0.0_pReal &
2014-02-28 18:33:21 +05:30
. and . CFLfactor ( instance ) * abs ( v ) * timestep &
2013-05-24 17:18:34 +05:30
> mesh_ipVolume ( ip , el ) / maxval ( mesh_ipArea ( : , ip , el ) ) ) , &
' at a timestep of ' , timestep
2012-08-16 14:43:38 +05:30
write ( 6 , '(a)' ) '<< CONST >> enforcing cutback !!!'
endif
#endif
2017-05-04 04:02:44 +05:30
plasticState ( p ) % dotState = IEEE_value ( 1.0_pReal , IEEE_quiet_NaN ) ! -> return NaN and, hence, enforce cutback
2012-08-16 14:43:38 +05:30
return
endif
2012-11-28 00:06:55 +05:30
2012-08-16 14:43:38 +05:30
!*** be aware of the definition of lattice_st = lattice_sd x lattice_sn !!!
2011-02-23 13:38:06 +05:30
!*** opposite sign to our p vector in the (s,p,n) triplet !!!
2014-07-02 17:57:39 +05:30
m ( 1 : 3 , 1 : ns , 1 ) = lattice_sd ( 1 : 3 , slipSystemLattice ( 1 : ns , instance ) , ph )
m ( 1 : 3 , 1 : ns , 2 ) = - lattice_sd ( 1 : 3 , slipSystemLattice ( 1 : ns , instance ) , ph )
m ( 1 : 3 , 1 : ns , 3 ) = - lattice_st ( 1 : 3 , slipSystemLattice ( 1 : ns , instance ) , ph )
m ( 1 : 3 , 1 : ns , 4 ) = lattice_st ( 1 : 3 , slipSystemLattice ( 1 : ns , instance ) , ph )
2010-10-15 18:49:26 +05:30
2014-07-02 17:57:39 +05:30
my_Fe = Fe ( 1 : 3 , 1 : 3 , 1_pInt , ip , el )
my_F = math_mul33x33 ( my_Fe , Fp ( 1 : 3 , 1 : 3 , 1_pInt , ip , el ) )
constitutive_nonlocal:
- read in activation energy for dislocation glide from material.config
- changed naming of dDipMin/Max to dLower/dUpper
- added new outputs: rho_dot, rho_dot_dip, rho_dot_gen, rho_dot_sgl2dip, rho_dot_dip2sgl, rho_dot_ann_ath, rho_dot_ann_the, rho_dot_flux, d_upper_edge, d_upper_screw, d_upper_dot_edge, d_upper_dot_screw
- poisson's ratio is now calculated from elastic constants
- microstrucutre has state as first argument, since this is our output variable
- periodic boundary conditions are taken into account for fluxes and internal stresses. for the moment, flag has to be set in constitutive_nonlocal.
- corrected calculation for dipole formation by glide
- added terms for dipole formation/annihilation by stress decrease/increase
constitutive:
- passing of arguments is adapted for constitutive_nonlocal model
crystallite:
- in stiffness calculation: call to collect_dotState used wrong arguments
- crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults
homogenization:
- crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults
IO:
- changed error message 229
material.config:
- changed example for nonlocal constitution according to constitutive_nonlocal
all:
- added some flush statements
2009-10-20 20:06:03 +05:30
2019-02-02 16:20:07 +05:30
do n = 1_pInt , theMesh % elem % nIPneighbors
2013-05-24 17:18:34 +05:30
neighbor_el = mesh_ipNeighborhood ( 1 , n , ip , el )
neighbor_ip = mesh_ipNeighborhood ( 2 , n , ip , el )
neighbor_n = mesh_ipNeighborhood ( 3 , n , ip , el )
2016-01-15 05:49:44 +05:30
np = phaseAt ( 1 , neighbor_ip , neighbor_el )
no = phasememberAt ( 1 , neighbor_ip , neighbor_el )
2014-06-26 19:23:12 +05:30
2012-10-29 18:19:28 +05:30
opposite_neighbor = n + mod ( n , 2_pInt ) - mod ( n + 1_pInt , 2_pInt )
opposite_el = mesh_ipNeighborhood ( 1 , opposite_neighbor , ip , el )
opposite_ip = mesh_ipNeighborhood ( 2 , opposite_neighbor , ip , el )
opposite_n = mesh_ipNeighborhood ( 3 , opposite_neighbor , ip , el )
2011-01-11 20:25:36 +05:30
2014-06-26 19:23:12 +05:30
if ( neighbor_n > 0_pInt ) then ! if neighbor exists, average deformation gradient
2014-07-02 17:57:39 +05:30
neighbor_instance = phase_plasticityInstance ( material_phase ( 1_pInt , neighbor_ip , neighbor_el ) )
neighbor_Fe = Fe ( 1 : 3 , 1 : 3 , 1_pInt , neighbor_ip , neighbor_el )
neighbor_F = math_mul33x33 ( neighbor_Fe , Fp ( 1 : 3 , 1 : 3 , 1_pInt , neighbor_ip , neighbor_el ) )
2013-05-24 17:18:34 +05:30
Favg = 0.5_pReal * ( my_F + neighbor_F )
else ! if no neighbor, take my value as average
2011-02-16 22:05:38 +05:30
Favg = my_F
2011-01-11 20:25:36 +05:30
endif
2011-02-16 22:05:38 +05:30
!* FLUX FROM MY NEIGHBOR TO ME
2014-06-26 19:23:12 +05:30
!* This is only considered, if I have a neighbor of nonlocal plasticity
!* (also nonlocal constitutive law with local properties) that is at least a little bit
!* compatible.
!* If it's not at all compatible, no flux is arriving, because everything is dammed in front of
!* my neighbor's interface.
!* The entering flux from my neighbor will be distributed on my slip systems according to the
!*compatibility
2011-02-16 22:05:38 +05:30
considerEnteringFlux = . false .
2013-05-24 17:18:34 +05:30
neighbor_v = 0.0_pReal ! needed for check of sign change in flux density below
neighbor_rhoSgl = 0.0_pReal
if ( neighbor_n > 0_pInt ) then
2013-11-27 13:34:05 +05:30
if ( phase_plasticity ( material_phase ( 1 , neighbor_ip , neighbor_el ) ) == PLASTICITY_NONLOCAL_ID &
2013-05-24 01:26:36 +05:30
. and . any ( compatibility ( : , : , : , n , ip , el ) > 0.0_pReal ) ) &
2011-08-02 16:47:45 +05:30
considerEnteringFlux = . true .
2011-02-16 22:05:38 +05:30
endif
if ( considerEnteringFlux ) then
2016-05-27 15:16:34 +05:30
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
2014-06-26 19:23:12 +05:30
forall ( s = 1 : ns , t = 1_pInt : 4_pInt )
2014-07-02 17:57:39 +05:30
neighbor_v ( s , t ) = plasticState ( np ) % state0 ( iV ( s , t , neighbor_instance ) , no )
2014-06-26 19:23:12 +05:30
neighbor_rhoSgl ( s , t ) = max ( plasticState ( np ) % state0 ( iRhoU ( s , t , neighbor_instance ) , no ) , 0.0_pReal )
2014-07-02 17:57:39 +05:30
2014-06-26 19:23:12 +05:30
endforall
2012-11-28 00:06:55 +05:30
else
2013-05-24 17:18:34 +05:30
forall ( s = 1 : ns , t = 1_pInt : 4_pInt )
2014-07-02 17:57:39 +05:30
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 ) , &
2014-06-26 19:23:12 +05:30
0.0_pReal )
2013-04-03 21:52:55 +05:30
endforall
2012-11-28 00:06:55 +05:30
endif
2014-07-02 17:57:39 +05:30
2014-02-28 18:33:21 +05:30
where ( neighbor_rhoSgl * mesh_ipVolume ( neighbor_ip , neighbor_el ) ** 0.667_pReal < significantN ( instance ) &
. or . neighbor_rhoSgl < significantRho ( instance ) ) &
2013-05-24 17:18:34 +05:30
neighbor_rhoSgl = 0.0_pReal
2013-05-24 01:26:36 +05:30
normal_neighbor2me_defConf = math_det33 ( Favg ) * math_mul33x3 ( math_inv33 ( transpose ( Favg ) ) , &
2013-05-24 17:18:34 +05:30
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!!!)
normal_neighbor2me = math_mul33x3 ( transpose ( neighbor_Fe ) , normal_neighbor2me_defConf ) &
/ math_det33 ( neighbor_Fe ) ! interface normal in the lattice configuration of my neighbor
2016-01-09 21:31:30 +05:30
area = mesh_ipArea ( neighbor_n , neighbor_ip , neighbor_el ) * norm2 ( normal_neighbor2me )
normal_neighbor2me = normal_neighbor2me / norm2 ( normal_neighbor2me ) ! normalize the surface normal to unit length
2012-02-23 22:13:17 +05:30
do s = 1_pInt , ns
do t = 1_pInt , 4_pInt
c = ( t + 1_pInt ) / 2
topp = t + mod ( t , 2_pInt ) - mod ( t + 1_pInt , 2_pInt )
2013-05-24 17:18:34 +05:30
if ( neighbor_v ( s , t ) * math_mul3x3 ( m ( 1 : 3 , s , t ) , normal_neighbor2me ) > 0.0_pReal & ! flux from my neighbor to me == entering flux for me
2014-01-08 22:05:10 +05:30
. and . v ( s , t ) * neighbor_v ( s , t ) > = 0.0_pReal ) then ! ... only if no sign change in flux density
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lineLength = neighbor_rhoSgl ( s , t ) * neighbor_v ( s , t ) &
* math_mul3x3 ( m ( 1 : 3 , s , t ) , normal_neighbor2me ) * area ! positive line length that wants to enter through this interface
where ( compatibility ( c , 1_pInt : ns , s , n , ip , el ) > 0.0_pReal ) & ! positive compatibility...
rhoDotFlux ( 1_pInt : ns , t ) = rhoDotFlux ( 1_pInt : ns , t ) &
+ lineLength / mesh_ipVolume ( ip , el ) & ! ... transferring to equally signed mobile dislocation type
* compatibility ( c , 1_pInt : ns , s , n , ip , el ) ** 2.0_pReal
where ( compatibility ( c , 1_pInt : ns , s , n , ip , el ) < 0.0_pReal ) & ! ..negative compatibility...
rhoDotFlux ( 1_pInt : ns , topp ) = rhoDotFlux ( 1_pInt : ns , topp ) &
+ lineLength / mesh_ipVolume ( ip , el ) & ! ... transferring to opposite signed mobile dislocation type
* compatibility ( c , 1_pInt : ns , s , n , ip , el ) ** 2.0_pReal
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endif
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enddo
enddo
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endif
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!* FLUX FROM ME TO MY NEIGHBOR
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!* This is not considered, if my opposite neighbor has a different constitutive law than nonlocal (still considered for nonlocal law with local properties).
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!* Then, we assume, that the opposite(!) neighbor sends an equal amount of dislocations to me.
!* So the net flux in the direction of my neighbor is equal to zero:
!* leaving flux to neighbor == entering flux from opposite neighbor
!* In case of reduced transmissivity, part of the leaving flux is stored as dead dislocation density.
!* That means for an interface of zero transmissivity the leaving flux is fully converted to dead dislocations.
considerLeavingFlux = . true .
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if ( opposite_n > 0_pInt ) then
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if ( phase_plasticity ( material_phase ( 1 , opposite_ip , opposite_el ) ) / = PLASTICITY_NONLOCAL_ID ) &
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considerLeavingFlux = . false .
endif
if ( considerLeavingFlux ) then
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!* timeSyncing mode: If the central ip has zero subfraction, always use "state0". This is needed in case of
!* a synchronization step for the central ip, because then "state" contains the values at the end of the
!* previously converged full time step. Also, if either me or my neighbor has zero subfraction, we have to
!* use "state0" to make sure that fluxes on both sides of the (potential) timestep are equal.
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my_rhoSgl = rhoSgl
my_v = v
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if ( numerics_timeSyncing ) then
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if ( dEq0 ( subfrac ( 1_pInt , ip , el ) ) ) then
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my_rhoSgl = rhoSgl0
my_v = v0
elseif ( neighbor_n > 0_pInt ) then
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if ( dEq0 ( subfrac ( 1_pInt , neighbor_ip , neighbor_el ) ) ) then
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my_rhoSgl = rhoSgl0
my_v = v0
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endif
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endif
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endif
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normal_me2neighbor_defConf = math_det33 ( Favg ) &
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* math_mul33x3 ( math_inv33 ( transpose ( Favg ) ) , &
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mesh_ipAreaNormal ( 1 : 3 , n , ip , el ) ) ! calculate the normal of the interface in (average) deformed configuration (pointing from me to my neighbor!!!)
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normal_me2neighbor = math_mul33x3 ( transpose ( my_Fe ) , normal_me2neighbor_defConf ) &
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/ math_det33 ( my_Fe ) ! interface normal in my lattice configuration
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area = mesh_ipArea ( n , ip , el ) * norm2 ( normal_me2neighbor )
normal_me2neighbor = normal_me2neighbor / norm2 ( normal_me2neighbor ) ! normalize the surface normal to unit length
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do s = 1_pInt , ns
do t = 1_pInt , 4_pInt
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c = ( t + 1_pInt ) / 2_pInt
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if ( my_v ( s , t ) * math_mul3x3 ( m ( 1 : 3 , s , t ) , normal_me2neighbor ) > 0.0_pReal ) then ! flux from me to my neighbor == leaving flux for me (might also be a pure flux from my mobile density to dead density if interface not at all transmissive)
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if ( my_v ( s , t ) * neighbor_v ( s , t ) > = 0.0_pReal ) then ! no sign change in flux density
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transmissivity = sum ( compatibility ( c , 1_pInt : ns , s , n , ip , el ) ** 2.0_pReal ) ! overall transmissivity from this slip system to my neighbor
else ! sign change in flux density means sign change in stress which does not allow for dislocations to arive at the neighbor
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transmissivity = 0.0_pReal
endif
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lineLength = my_rhoSgl ( s , t ) * my_v ( s , t ) &
* math_mul3x3 ( m ( 1 : 3 , s , t ) , normal_me2neighbor ) * area ! positive line length of mobiles that wants to leave through this interface
rhoDotFlux ( s , t ) = rhoDotFlux ( s , t ) - lineLength / mesh_ipVolume ( ip , el ) ! subtract dislocation flux from current type
rhoDotFlux ( s , t + 4_pInt ) = rhoDotFlux ( s , t + 4_pInt ) &
+ lineLength / mesh_ipVolume ( ip , el ) * ( 1.0_pReal - transmissivity ) &
* sign ( 1.0_pReal , my_v ( s , t ) ) ! dislocation flux that is not able to leave through interface (because of low transmissivity) will remain as immobile single density at the material point
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endif
enddo
enddo
endif
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enddo ! neighbor loop
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endif
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openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
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!****************************************************************************
!*** calculate dipole formation and annihilation
!*** formation by glide
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do c = 1_pInt , 2_pInt
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rhoDotSingle2DipoleGlide ( 1 : ns , 2 * c - 1 ) = - 2.0_pReal * dUpper ( 1 : ns , c ) / burgers ( 1 : ns , instance ) &
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* ( 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
+ abs ( rhoSgl ( 1 : ns , 2 * c + 4 ) ) * abs ( gdot ( 1 : ns , 2 * c - 1 ) ) ) ! positive mobile --> negative immobile
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rhoDotSingle2DipoleGlide ( 1 : ns , 2 * c ) = - 2.0_pReal * dUpper ( 1 : ns , c ) / burgers ( 1 : ns , instance ) &
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* ( 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
+ abs ( rhoSgl ( 1 : ns , 2 * c + 3 ) ) * abs ( gdot ( 1 : ns , 2 * c ) ) ) ! negative mobile --> positive immobile
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2014-02-28 18:33:21 +05:30
rhoDotSingle2DipoleGlide ( 1 : ns , 2 * c + 3 ) = - 2.0_pReal * dUpper ( 1 : ns , c ) / burgers ( 1 : ns , instance ) &
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* rhoSgl ( 1 : ns , 2 * c + 3 ) * abs ( gdot ( 1 : ns , 2 * c ) ) ! negative mobile --> positive immobile
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rhoDotSingle2DipoleGlide ( 1 : ns , 2 * c + 4 ) = - 2.0_pReal * dUpper ( 1 : ns , c ) / burgers ( 1 : ns , instance ) &
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* rhoSgl ( 1 : ns , 2 * c + 4 ) * abs ( gdot ( 1 : ns , 2 * c - 1 ) ) ! positive mobile --> negative immobile
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rhoDotSingle2DipoleGlide ( 1 : ns , c + 8 ) = - rhoDotSingle2DipoleGlide ( 1 : ns , 2 * c - 1 ) &
- rhoDotSingle2DipoleGlide ( 1 : ns , 2 * c ) &
+ abs ( rhoDotSingle2DipoleGlide ( 1 : ns , 2 * c + 3 ) ) &
+ abs ( rhoDotSingle2DipoleGlide ( 1 : ns , 2 * c + 4 ) )
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enddo
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!*** athermal annihilation
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rhoDotAthermalAnnihilation = 0.0_pReal
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forall ( c = 1_pInt : 2_pInt ) &
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rhoDotAthermalAnnihilation ( 1 : ns , c + 8_pInt ) = - 2.0_pReal * dLower ( 1 : ns , c ) / burgers ( 1 : ns , instance ) &
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* ( 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
+ rhoDip ( 1 : ns , c ) * ( abs ( gdot ( 1 : ns , 2 * c - 1 ) ) + abs ( gdot ( 1 : ns , 2 * c ) ) ) ) ! single knocks dipole constituent
! annihilated screw dipoles leave edge jogs behind on the colinear system
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if ( lattice_structure ( ph ) == LATTICE_fcc_ID ) & ! only fcc
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forall ( s = 1 : ns , colinearSystem ( s , instance ) > 0_pInt ) &
rhoDotAthermalAnnihilation ( colinearSystem ( s , instance ) , 1 : 2 ) = - rhoDotAthermalAnnihilation ( s , 10 ) &
* 0.25_pReal * sqrt ( rhoForest ( s ) ) * ( dUpper ( s , 2 ) + dLower ( s , 2 ) ) * edgeJogFactor ( instance )
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!*** thermally activated annihilation of edge dipoles by climb
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rhoDotThermalAnnihilation = 0.0_pReal
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selfDiffusion = Dsd0 ( instance ) * exp ( - selfDiffusionEnergy ( instance ) / ( KB * Temperature ) )
vClimb = atomicVolume ( instance ) * selfDiffusion / ( KB * Temperature ) &
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* lattice_mu ( ph ) / ( 2.0_pReal * PI * ( 1.0_pReal - lattice_nu ( ph ) ) ) &
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* 2.0_pReal / ( dUpper ( 1 : ns , 1 ) + dLower ( 1 : ns , 1 ) )
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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 ) ) , &
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- rhoDip ( s , 1 ) / timestep - rhoDotAthermalAnnihilation ( s , 9 ) &
- rhoDotSingle2DipoleGlide ( s , 9 ) ) ! make sure that we do not annihilate more dipoles than we have
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!****************************************************************************
!*** assign the rates of dislocation densities to my dotState
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!*** if evolution rates lead to negative densities, a cutback is enforced
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rhoDot = 0.0_pReal
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rhoDot = rhoDotFlux &
+ rhoDotMultiplication &
+ rhoDotSingle2DipoleGlide &
+ rhoDotAthermalAnnihilation &
+ rhoDotThermalAnnihilation
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rhoDotFluxOutput ( 1 : ns , 1 : 8 , 1_pInt , ip , el ) = rhoDotFlux ( 1 : ns , 1 : 8 )
rhoDotMultiplicationOutput ( 1 : ns , 1 : 2 , 1_pInt , ip , el ) = rhoDotMultiplication ( 1 : ns , [ 1 , 3 ] )
rhoDotSingle2DipoleGlideOutput ( 1 : ns , 1 : 2 , 1_pInt , ip , el ) = rhoDotSingle2DipoleGlide ( 1 : ns , 9 : 10 )
rhoDotAthermalAnnihilationOutput ( 1 : ns , 1 : 2 , 1_pInt , ip , el ) = rhoDotAthermalAnnihilation ( 1 : ns , 9 : 10 )
rhoDotThermalAnnihilationOutput ( 1 : ns , 1 : 2 , 1_pInt , ip , el ) = rhoDotThermalAnnihilation ( 1 : ns , 9 : 10 )
rhoDotEdgeJogsOutput ( 1 : ns , 1_pInt , ip , el ) = 2.0_pReal * rhoDotThermalAnnihilation ( 1 : ns , 1 )
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#ifdef DEBUG
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if ( iand ( debug_level ( debug_constitutive ) , debug_levelExtensive ) / = 0_pInt &
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. and . ( ( debug_e == el . and . debug_i == ip . and . debug_g == 1_pInt ) &
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. or . . not . iand ( debug_level ( debug_constitutive ) , debug_levelSelective ) / = 0_pInt ) ) then
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write ( 6 , '(a,/,4(12x,12(e12.5,1x),/))' ) '<< CONST >> dislocation multiplication' , &
rhoDotMultiplication ( 1 : ns , 1 : 4 ) * timestep
write ( 6 , '(a,/,8(12x,12(e12.5,1x),/))' ) '<< CONST >> dislocation flux' , &
rhoDotFlux ( 1 : ns , 1 : 8 ) * timestep
write ( 6 , '(a,/,10(12x,12(e12.5,1x),/))' ) '<< CONST >> dipole formation by glide' , &
rhoDotSingle2DipoleGlide * timestep
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write ( 6 , '(a,/,10(12x,12(e12.5,1x),/))' ) '<< CONST >> athermal dipole annihilation' , &
rhoDotAthermalAnnihilation * timestep
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write ( 6 , '(a,/,2(12x,12(e12.5,1x),/))' ) '<< CONST >> thermally activated dipole annihilation' , &
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rhoDotThermalAnnihilation ( 1 : ns , 9 : 10 ) * timestep
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write ( 6 , '(a,/,10(12x,12(e12.5,1x),/))' ) '<< CONST >> total density change' , &
rhoDot * timestep
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write ( 6 , '(a,/,10(12x,12(f12.5,1x),/))' ) '<< CONST >> relative density change' , &
rhoDot ( 1 : ns , 1 : 8 ) * timestep / ( abs ( rhoSglOriginal ) + 1.0e-10 ) , &
rhoDot ( 1 : ns , 9 : 10 ) * timestep / ( rhoDipOriginal + 1.0e-10 )
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write ( 6 , * )
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endif
#endif
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2012-08-23 11:18:21 +05:30
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if ( any ( rhoSglOriginal ( 1 : ns , 1 : 4 ) + rhoDot ( 1 : ns , 1 : 4 ) * timestep < - aTolRho ( instance ) ) &
. or . any ( rhoDipOriginal ( 1 : ns , 1 : 2 ) + rhoDot ( 1 : ns , 9 : 10 ) * timestep < - aTolRho ( instance ) ) ) then
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#ifdef DEBUG
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if ( iand ( debug_level ( debug_constitutive ) , debug_levelExtensive ) / = 0_pInt ) then
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write ( 6 , '(a,i5,a,i2)' ) '<< CONST >> evolution rate leads to negative density at el ' , el , ' ip ' , ip
write ( 6 , '(a)' ) '<< CONST >> enforcing cutback !!!'
endif
#endif
2017-05-04 04:02:44 +05:30
plasticState ( p ) % dotState = IEEE_value ( 1.0_pReal , IEEE_quiet_NaN )
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return
else
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forall ( s = 1 : ns , t = 1_pInt : 4_pInt )
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plasticState ( p ) % dotState ( iRhoU ( s , t , instance ) , o ) = rhoDot ( s , t )
plasticState ( p ) % dotState ( iRhoB ( s , t , instance ) , o ) = rhoDot ( s , t + 4_pInt )
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endforall
forall ( s = 1 : ns , c = 1_pInt : 2_pInt ) &
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plasticState ( p ) % dotState ( iRhoD ( s , c , instance ) , o ) = rhoDot ( s , c + 8_pInt )
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forall ( s = 1 : ns ) &
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plasticState ( p ) % dotState ( iGamma ( s , instance ) , o ) = sum ( gdot ( s , 1 : 4 ) )
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endif
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end associate
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end subroutine plastic_nonlocal_dotState
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2014-06-26 19:23:12 +05:30
!*********************************************************************
!* COMPATIBILITY UPDATE *
!* Compatibility is defined as normalized product of signed cosine *
!* of the angle between the slip plane normals and signed cosine of *
!* the angle between the slip directions. Only the largest values *
!* that sum up to a total of 1 are considered, all others are set to *
!* zero. *
!*********************************************************************
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subroutine plastic_nonlocal_updateCompatibility ( orientation , i , e )
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use math , only : math_mul3x3 , &
math_qRot
use material , only : material_phase , &
material_texture , &
phase_localPlasticity , &
phase_plasticityInstance , &
homogenization_maxNgrains
use mesh , only : mesh_element , &
mesh_ipNeighborhood , &
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theMesh
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use lattice , only : lattice_sn , &
lattice_sd , &
lattice_qDisorientation
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implicit none
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!* input variables
integer ( pInt ) , intent ( in ) :: i , & ! ip index
e ! element index
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real ( pReal ) , dimension ( 4 , homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , intent ( in ) :: &
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orientation ! crystal orientation in quaternions
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!* local variables
integer ( pInt ) Nneighbors , & ! number of neighbors
n , & ! neighbor index
neighbor_e , & ! element index of my neighbor
neighbor_i , & ! integration point index of my neighbor
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ph , &
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neighbor_phase , &
textureID , &
neighbor_textureID , &
instance , & ! instance of plasticity
ns , & ! number of active slip systems
s1 , & ! slip system index (me)
s2 ! slip system index (my neighbor)
real ( pReal ) , dimension ( 4 ) :: absoluteMisorientation ! absolute misorientation (without symmetry) between me and my neighbor
real ( pReal ) , dimension ( 2 , totalNslip ( phase_plasticityInstance ( material_phase ( 1 , i , e ) ) ) , &
totalNslip ( phase_plasticityInstance ( material_phase ( 1 , i , e ) ) ) , &
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theMesh % elem % nIPneighbors ) :: &
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my_compatibility ! my_compatibility for current element and ip
real ( pReal ) , dimension ( 3 , totalNslip ( phase_plasticityInstance ( material_phase ( 1 , i , e ) ) ) ) :: &
slipNormal , &
slipDirection
real ( pReal ) my_compatibilitySum , &
thresholdValue , &
nThresholdValues
logical , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1 , i , e ) ) ) ) :: &
belowThreshold
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Nneighbors = theMesh % elem % nIPneighbors
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ph = material_phase ( 1 , i , e )
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textureID = material_texture ( 1 , i , e )
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instance = phase_plasticityInstance ( ph )
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ns = totalNslip ( instance )
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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 )
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!*** start out fully compatible
my_compatibility = 0.0_pReal
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forall ( s1 = 1_pInt : ns ) my_compatibility ( 1 : 2 , s1 , s1 , 1 : Nneighbors ) = 1.0_pReal
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!*** Loop thrugh neighbors and check whether there is any my_compatibility.
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neighbors : do n = 1_pInt , Nneighbors
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neighbor_e = mesh_ipNeighborhood ( 1 , n , i , e )
neighbor_i = mesh_ipNeighborhood ( 2 , n , i , e )
!* FREE SURFACE
!* Set surface transmissivity to the value specified in the material.config
if ( neighbor_e < = 0_pInt . or . neighbor_i < = 0_pInt ) then
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forall ( s1 = 1_pInt : ns ) my_compatibility ( 1 : 2 , s1 , s1 , n ) = sqrt ( surfaceTransmissivity ( instance ) )
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cycle
endif
!* PHASE BOUNDARY
!* If we encounter a different nonlocal "cpfem" phase at the neighbor,
!* we consider this to be a real "physical" phase boundary, so completely incompatible.
!* If one of the two "CPFEM" phases has a local plasticity law,
!* we do not consider this to be a phase boundary, so completely compatible.
neighbor_phase = material_phase ( 1 , neighbor_i , neighbor_e )
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if ( neighbor_phase / = ph ) then
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if ( . not . phase_localPlasticity ( neighbor_phase ) . and . . not . phase_localPlasticity ( ph ) ) &
forall ( s1 = 1_pInt : ns ) my_compatibility ( 1 : 2 , s1 , s1 , n ) = 0.0_pReal
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cycle
endif
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!* GRAIN BOUNDARY !
!* fixed transmissivity for adjacent ips with different texture (only if explicitly given in material.config)
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if ( grainboundaryTransmissivity ( instance ) > = 0.0_pReal ) then
neighbor_textureID = material_texture ( 1 , neighbor_i , neighbor_e )
if ( neighbor_textureID / = textureID ) then
if ( . not . phase_localPlasticity ( neighbor_phase ) ) then
forall ( s1 = 1_pInt : ns ) &
my_compatibility ( 1 : 2 , s1 , s1 , n ) = sqrt ( grainboundaryTransmissivity ( instance ) )
endif
cycle
endif
!* GRAIN BOUNDARY ?
!* Compatibility defined by relative orientation of slip systems:
!* The my_compatibility value is defined as the product of the slip normal projection and the slip direction projection.
!* Its sign is always positive for screws, for edges it has the same sign as the slip normal projection.
!* Since the sum for each slip system can easily exceed one (which would result in a transmissivity larger than one),
!* only values above or equal to a certain threshold value are considered. This threshold value is chosen, such that
!* the number of compatible slip systems is minimized with the sum of the original my_compatibility values exceeding one.
!* Finally the smallest my_compatibility value is decreased until the sum is exactly equal to one.
!* All values below the threshold are set to zero.
else
absoluteMisorientation = lattice_qDisorientation ( orientation ( 1 : 4 , 1 , i , e ) , &
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orientation ( 1 : 4 , 1 , neighbor_i , neighbor_e ) ) ! no symmetry
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mySlipSystems : do s1 = 1_pInt , ns
neighborSlipSystems : do s2 = 1_pInt , ns
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my_compatibility ( 1 , s2 , s1 , n ) = math_mul3x3 ( slipNormal ( 1 : 3 , s1 ) , math_qRot ( absoluteMisorientation , slipNormal ( 1 : 3 , s2 ) ) ) &
* abs ( math_mul3x3 ( slipDirection ( 1 : 3 , s1 ) , math_qRot ( absoluteMisorientation , slipDirection ( 1 : 3 , s2 ) ) ) )
my_compatibility ( 2 , s2 , s1 , n ) = abs ( math_mul3x3 ( slipNormal ( 1 : 3 , s1 ) , math_qRot ( absoluteMisorientation , slipNormal ( 1 : 3 , s2 ) ) ) ) &
* abs ( math_mul3x3 ( slipDirection ( 1 : 3 , s1 ) , math_qRot ( absoluteMisorientation , slipDirection ( 1 : 3 , s2 ) ) ) )
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enddo neighborSlipSystems
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my_compatibilitySum = 0.0_pReal
belowThreshold = . true .
do while ( my_compatibilitySum < 1.0_pReal . and . any ( belowThreshold ( 1 : ns ) ) )
thresholdValue = maxval ( my_compatibility ( 2 , 1 : ns , s1 , n ) , belowThreshold ( 1 : ns ) ) ! screws always positive
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nThresholdValues = real ( count ( my_compatibility ( 2 , 1 : ns , s1 , n ) > = thresholdValue ) , pReal )
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where ( my_compatibility ( 2 , 1 : ns , s1 , n ) > = thresholdValue ) &
belowThreshold ( 1 : ns ) = . false .
if ( my_compatibilitySum + thresholdValue * nThresholdValues > 1.0_pReal ) &
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where ( abs ( my_compatibility ( 1 : 2 , 1 : ns , s1 , n ) ) > = thresholdValue ) & ! MD: rather check below threshold?
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my_compatibility ( 1 : 2 , 1 : ns , s1 , n ) = sign ( ( 1.0_pReal - my_compatibilitySum ) &
/ nThresholdValues , my_compatibility ( 1 : 2 , 1 : ns , s1 , n ) )
my_compatibilitySum = my_compatibilitySum + nThresholdValues * thresholdValue
enddo
where ( belowThreshold ( 1 : ns ) ) my_compatibility ( 1 , 1 : ns , s1 , n ) = 0.0_pReal
where ( belowThreshold ( 1 : ns ) ) my_compatibility ( 2 , 1 : ns , s1 , n ) = 0.0_pReal
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enddo mySlipSystems
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endif
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enddo neighbors
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compatibility ( 1 : 2 , 1 : ns , 1 : ns , 1 : Nneighbors , i , e ) = my_compatibility
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end subroutine plastic_nonlocal_updateCompatibility
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!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results
!--------------------------------------------------------------------------------------------------
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function plastic_nonlocal_postResults ( Mp , Fe , ip , el )
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use prec , only : &
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dNeq0
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use math , only : &
math_mul33x3 , &
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math_mul33xx33 , &
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pi
use mesh , only : &
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theMesh
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use material , only : &
homogenization_maxNgrains , &
material_phase , &
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phaseAt , phasememberAt , &
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plasticState , &
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phase_plasticityInstance
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use lattice , only : &
lattice_sd , &
lattice_st , &
lattice_sn , &
lattice_mu , &
lattice_nu
implicit none
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real ( pReal ) , dimension ( 3 , 3 ) , intent ( in ) :: Mp !< MandelStress
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real ( pReal ) , dimension ( 3 , 3 , homogenization_maxNgrains , theMesh % elem % nIPs , theMesh % nElems ) , intent ( in ) :: &
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Fe !< elastic deformation gradient
integer ( pInt ) , intent ( in ) :: &
ip , & !< integration point
el !< element
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real ( pReal ) , dimension ( sum ( plastic_nonlocal_sizePostResult ( : , phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) ) :: &
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plastic_nonlocal_postResults
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integer ( pInt ) :: &
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ph , &
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instance , & !< current instance of this plasticity
ns , & !< short notation for the total number of active slip systems
c , & !< character of dislocation
cs , & !< constitutive result index
o , & !< index of current output
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of , & !< offset shortcut
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t , & !< type of dislocation
s , & !< index of my current slip system
sLattice !< index of my current slip system according to lattice order
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 8 ) :: &
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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)
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 4 ) :: &
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gdot , & !< shear rates
v !< velocities
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) :: &
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rhoForest , & !< forest dislocation density
tauThreshold , & !< threshold shear stress
tau , & !< current resolved shear stress
tauBack !< back stress from pileups on same slip system
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real ( pReal ) , dimension ( totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 2 ) :: &
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rhoDip , & !< current dipole dislocation densities (screw and edge dipoles)
rhoDotDip , & !< evolution rate of dipole dislocation densities (screw and edge dipoles)
dLower , & !< minimum stable dipole distance for edges and screws
dUpper !< current maximum stable dipole distance for edges and screws
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real ( pReal ) , dimension ( 3 , totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) , 2 ) :: &
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m , & !< direction of dislocation motion for edge and screw (unit vector)
m_currentconf !< direction of dislocation motion for edge and screw (unit vector) in current configuration
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real ( pReal ) , dimension ( 3 , totalNslip ( phase_plasticityInstance ( material_phase ( 1_pInt , ip , el ) ) ) ) :: &
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n_currentconf !< slip system normal (unit vector) in current configuration
real ( pReal ) , dimension ( 3 , 3 ) :: &
sigma
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ph = phaseAt ( 1 , ip , el )
of = phasememberAt ( 1 , ip , el )
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instance = phase_plasticityInstance ( ph )
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ns = totalNslip ( instance )
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
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cs = 0_pInt
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plastic_nonlocal_postResults = 0.0_pReal
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
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associate ( prm = > param ( instance ) )
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!* short hand notations for state variables
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forall ( s = 1_pInt : ns , t = 1_pInt : 4_pInt )
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rhoSgl ( s , t ) = plasticState ( ph ) % State ( iRhoU ( s , t , instance ) , of )
rhoSgl ( s , t + 4_pInt ) = plasticState ( ph ) % State ( iRhoB ( s , t , instance ) , of )
v ( s , t ) = plasticState ( ph ) % State ( iV ( s , t , instance ) , of )
rhoDotSgl ( s , t ) = plasticState ( ph ) % dotState ( iRhoU ( s , t , instance ) , of )
rhoDotSgl ( s , t + 4_pInt ) = plasticState ( ph ) % dotState ( iRhoB ( s , t , instance ) , of )
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endforall
forall ( s = 1_pInt : ns , c = 1_pInt : 2_pInt )
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rhoDip ( s , c ) = plasticState ( ph ) % State ( iRhoD ( s , c , instance ) , of )
rhoDotDip ( s , c ) = plasticState ( ph ) % dotState ( iRhoD ( s , c , instance ) , of )
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endforall
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rhoForest = plasticState ( ph ) % State ( iRhoF ( 1 : ns , instance ) , of )
tauThreshold = plasticState ( ph ) % State ( iTauF ( 1 : ns , instance ) , of )
tauBack = plasticState ( ph ) % State ( iTauB ( 1 : ns , instance ) , of )
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!* Calculate shear rate
forall ( t = 1_pInt : 4_pInt ) &
gdot ( 1 : ns , t ) = rhoSgl ( 1 : ns , t ) * burgers ( 1 : ns , instance ) * v ( 1 : ns , t )
!* calculate limits for stable dipole height
do s = 1_pInt , ns
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tau ( s ) = math_mul33xx33 ( Mp , prm % Schmid ( 1 : 3 , 1 : 3 , s ) ) + tauBack ( s )
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if ( abs ( tau ( s ) ) < 1.0e-15_pReal ) tau ( s ) = 1.0e-15_pReal
enddo
dLower = minDipoleHeight ( 1 : ns , 1 : 2 , instance )
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dUpper ( 1 : ns , 1 ) = lattice_mu ( ph ) * burgers ( 1 : ns , instance ) &
/ ( 8.0_pReal * pi * ( 1.0_pReal - lattice_nu ( ph ) ) * abs ( tau ) )
dUpper ( 1 : ns , 2 ) = lattice_mu ( ph ) * burgers ( 1 : ns , instance ) &
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/ ( 4.0_pReal * pi * abs ( tau ) )
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forall ( c = 1_pInt : 2_pInt )
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where ( dNeq0 ( sqrt ( rhoSgl ( 1 : ns , 2 * c - 1 ) + rhoSgl ( 1 : ns , 2 * c ) + abs ( rhoSgl ( 1 : ns , 2 * c + 3 ) ) &
+ abs ( rhoSgl ( 1 : ns , 2 * c + 4 ) ) + rhoDip ( 1 : ns , c ) ) ) ) &
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dUpper ( 1 : ns , c ) = min ( 1.0_pReal / sqrt ( rhoSgl ( 1 : ns , 2 * c - 1 ) + rhoSgl ( 1 : ns , 2 * c ) &
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+ abs ( rhoSgl ( 1 : ns , 2 * c + 3 ) ) + abs ( rhoSgl ( 1 : ns , 2 * c + 4 ) ) + rhoDip ( 1 : ns , c ) ) , &
dUpper ( 1 : ns , c ) )
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end forall
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dUpper = max ( dUpper , dLower )
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!*** dislocation motion
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m ( 1 : 3 , 1 : ns , 1 ) = lattice_sd ( 1 : 3 , slipSystemLattice ( 1 : ns , instance ) , ph )
m ( 1 : 3 , 1 : ns , 2 ) = - lattice_st ( 1 : 3 , slipSystemLattice ( 1 : ns , instance ) , ph )
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forall ( c = 1_pInt : 2_pInt , s = 1_pInt : ns ) &
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m_currentconf ( 1 : 3 , s , c ) = math_mul33x3 ( Fe ( 1 : 3 , 1 : 3 , 1_pInt , ip , el ) , m ( 1 : 3 , s , c ) )
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forall ( s = 1_pInt : ns ) &
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n_currentconf ( 1 : 3 , s ) = math_mul33x3 ( Fe ( 1 : 3 , 1 : 3 , 1_pInt , ip , el ) , &
lattice_sn ( 1 : 3 , slipSystemLattice ( s , instance ) , ph ) )
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outputsLoop : do o = 1_pInt , size ( param ( instance ) % outputID )
select case ( param ( instance ) % outputID ( o ) )
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case ( rho_sgl_edge_pos_mobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoSgl ( 1 : ns , 1 )
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cs = cs + ns
case ( rho_sgl_edge_pos_immobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoSgl ( 1 : ns , 5 )
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cs = cs + ns
case ( rho_sgl_edge_neg_mobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoSgl ( 1 : ns , 2 )
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cs = cs + ns
case ( rho_sgl_edge_neg_immobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoSgl ( 1 : ns , 6 )
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cs = cs + ns
case ( rho_dip_edge_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDip ( 1 : ns , 1 )
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cs = cs + ns
case ( rho_sgl_screw_pos_mobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoSgl ( 1 : ns , 3 )
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cs = cs + ns
case ( rho_sgl_screw_pos_immobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoSgl ( 1 : ns , 7 )
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cs = cs + ns
case ( rho_sgl_screw_neg_mobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoSgl ( 1 : ns , 4 )
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cs = cs + ns
case ( rho_sgl_screw_neg_immobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoSgl ( 1 : ns , 8 )
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cs = cs + ns
case ( rho_dip_screw_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDip ( 1 : ns , 2 )
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cs = cs + ns
case ( rho_forest_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoForest
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cs = cs + ns
case ( shearrate_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = sum ( gdot , 2 )
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cs = cs + ns
case ( resolvedstress_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = tau
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cs = cs + ns
case ( resolvedstress_back_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = tauBack
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cs = cs + ns
case ( resolvedstress_external_ID )
do s = 1_pInt , ns
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plastic_nonlocal_postResults ( cs + s ) = math_mul33xx33 ( Mp , prm % Schmid ( 1 : 3 , 1 : 3 , s ) )
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enddo
cs = cs + ns
case ( resistance_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = tauThreshold
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cs = cs + ns
case ( rho_dot_sgl_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = sum ( rhoDotSgl ( 1 : ns , 1 : 4 ) , 2 ) &
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+ sum ( rhoDotSgl ( 1 : ns , 5 : 8 ) * sign ( 1.0_pReal , rhoSgl ( 1 : ns , 5 : 8 ) ) , 2 )
cs = cs + ns
case ( rho_dot_sgl_mobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = sum ( rhoDotSgl ( 1 : ns , 1 : 4 ) , 2 )
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cs = cs + ns
case ( rho_dot_dip_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = sum ( rhoDotDip , 2 )
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cs = cs + ns
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case ( rho_dot_gen_ID ) ! Obsolete
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDotMultiplicationOutput ( 1 : ns , 1 , 1_pInt , ip , el ) &
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+ rhoDotMultiplicationOutput ( 1 : ns , 2 , 1_pInt , ip , el )
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cs = cs + ns
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case ( rho_dot_gen_edge_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDotMultiplicationOutput ( 1 : ns , 1 , 1_pInt , ip , el )
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cs = cs + ns
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case ( rho_dot_gen_screw_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDotMultiplicationOutput ( 1 : ns , 2 , 1_pInt , ip , el )
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cs = cs + ns
case ( rho_dot_sgl2dip_edge_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDotSingle2DipoleGlideOutput ( 1 : ns , 1 , 1_pInt , ip , el )
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cs = cs + ns
case ( rho_dot_sgl2dip_screw_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDotSingle2DipoleGlideOutput ( 1 : ns , 2 , 1_pInt , ip , el )
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cs = cs + ns
case ( rho_dot_ann_ath_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDotAthermalAnnihilationOutput ( 1 : ns , 1 , 1_pInt , ip , el ) &
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+ rhoDotAthermalAnnihilationOutput ( 1 : ns , 2 , 1_pInt , ip , el )
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cs = cs + ns
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case ( rho_dot_ann_the_edge_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDotThermalAnnihilationOutput ( 1 : ns , 1 , 1_pInt , ip , el )
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cs = cs + ns
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case ( rho_dot_ann_the_screw_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDotThermalAnnihilationOutput ( 1 : ns , 2 , 1_pInt , ip , el )
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cs = cs + ns
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case ( rho_dot_edgejogs_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = rhoDotEdgeJogsOutput ( 1 : ns , 1_pInt , ip , el )
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cs = cs + ns
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case ( rho_dot_flux_mobile_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = sum ( rhoDotFluxOutput ( 1 : ns , 1 : 4 , 1_pInt , ip , el ) , 2 )
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cs = cs + ns
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case ( rho_dot_flux_edge_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = sum ( rhoDotFluxOutput ( 1 : ns , 1 : 2 , 1_pInt , ip , el ) , 2 ) &
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+ sum ( rhoDotFluxOutput ( 1 : ns , 5 : 6 , 1_pInt , ip , el ) * sign ( 1.0_pReal , rhoSgl ( 1 : ns , 5 : 6 ) ) , 2 )
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cs = cs + ns
case ( rho_dot_flux_screw_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = sum ( rhoDotFluxOutput ( 1 : ns , 3 : 4 , 1_pInt , ip , el ) , 2 ) &
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+ sum ( rhoDotFluxOutput ( 1 : ns , 7 : 8 , 1_pInt , ip , el ) * sign ( 1.0_pReal , rhoSgl ( 1 : ns , 7 : 8 ) ) , 2 )
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cs = cs + ns
case ( velocity_edge_pos_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = v ( 1 : ns , 1 )
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cs = cs + ns
case ( velocity_edge_neg_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = v ( 1 : ns , 2 )
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cs = cs + ns
case ( velocity_screw_pos_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = v ( 1 : ns , 3 )
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cs = cs + ns
case ( velocity_screw_neg_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = v ( 1 : ns , 4 )
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cs = cs + ns
case ( maximumdipoleheight_edge_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = dUpper ( 1 : ns , 1 )
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cs = cs + ns
case ( maximumdipoleheight_screw_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = dUpper ( 1 : ns , 2 )
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cs = cs + ns
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case ( accumulatedshear_ID )
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plastic_nonlocal_postResults ( cs + 1_pInt : cs + ns ) = plasticState ( ph ) % state ( iGamma ( 1 : ns , instance ) , of )
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cs = cs + ns
end select
enddo outputsLoop
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end associate
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end function plastic_nonlocal_postResults
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end module plastic_nonlocal