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DAMASK_EICMD
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adapted changes from rev 2776 for constitutive_nonlocal: improved usage of "enum", fixed bug in file reading, usage of "source" specifier for "allocate"

This commit is contained in:
Christoph Kords 2013-12-12 10:16:50 +00:00
parent dd77690a68
commit 9b9f4dd624
1 changed files with 120 additions and 202 deletions
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302
code/constitutive_nonlocal.f90
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@ -30,7 +30,7 @@ use prec, only: &
pInt, & pInt, &
p_vec p_vec
use lattice, only: & use lattice, only: &
LATTICE_iso_ID LATTICE_undefined_ID
implicit none implicit none
private private
@ -94,7 +94,7 @@ iV, & !< state in
iD !< state indices for stable dipole height iD !< state indices for stable dipole height
integer(kind(LATTICE_iso_ID)), dimension(:), allocatable, public :: & integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: &
constitutive_nonlocal_structureID !< ID of the lattice structure constitutive_nonlocal_structureID !< ID of the lattice structure
integer(pInt), dimension(:), allocatable, public :: & integer(pInt), dimension(:), allocatable, public :: &
@ -187,7 +187,8 @@ shortRangeStressCorrection, & !< flag ind
probabilisticMultiplication probabilisticMultiplication
enum, bind(c) enum, bind(c)
enumerator :: rho_ID, & enumerator :: undefined_ID, &
rho_ID, &
delta_ID, & delta_ID, &
rho_edge_ID, & rho_edge_ID, &
rho_screw_ID, & rho_screw_ID, &
@ -270,7 +271,7 @@ enum, bind(c)
accumulatedshear_ID, & accumulatedshear_ID, &
dislocationstress_ID dislocationstress_ID
end enum end enum
integer(kind(rho_ID)), dimension(:,:), allocatable, private :: & integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: &
constitutive_nonlocal_outputID !< ID of each post result output constitutive_nonlocal_outputID !< ID of each post result output
public :: & public :: &
@ -296,7 +297,7 @@ contains
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine constitutive_nonlocal_init(myFile) subroutine constitutive_nonlocal_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use math, only: math_Mandel3333to66, & use math, only: math_Mandel3333to66, &
math_Voigt66to3333, & math_Voigt66to3333, &
@ -312,7 +313,8 @@ use IO, only: IO_read, &
IO_intValue, & IO_intValue, &
IO_error, & IO_error, &
IO_warning, & IO_warning, &
IO_timeStamp IO_timeStamp, &
IO_EOF
use debug, only: debug_level, & use debug, only: debug_level, &
debug_constitutive, & debug_constitutive, &
debug_levelBasic debug_levelBasic
@ -327,7 +329,7 @@ use material, only: homogenization_maxNgrains, &
PLASTICITY_NONLOCAL_ID PLASTICITY_NONLOCAL_ID
use lattice use lattice
integer(pInt), intent(in) :: myFile integer(pInt), intent(in) :: fileUnit
!*** local variables !*** local variables
integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt
@ -372,137 +374,82 @@ integer(pInt) :: section = 0_pInt, &
!*** memory allocation for global variables !*** memory allocation for global variables
allocate(constitutive_nonlocal_sizeDotState(maxNmatIDs)) allocate(constitutive_nonlocal_sizeDotState(maxNmatIDs), source=0_pInt)
allocate(constitutive_nonlocal_sizeDependentState(maxNmatIDs)) allocate(constitutive_nonlocal_sizeDependentState(maxNmatIDs), source=0_pInt)
allocate(constitutive_nonlocal_sizeState(maxNmatIDs)) allocate(constitutive_nonlocal_sizeState(maxNmatIDs), source=0_pInt)
allocate(constitutive_nonlocal_sizePostResults(maxNmatIDs)) allocate(constitutive_nonlocal_sizePostResults(maxNmatIDs), source=0_pInt)
allocate(constitutive_nonlocal_sizePostResult(maxval(phase_Noutput), maxNmatIDs)) allocate(constitutive_nonlocal_sizePostResult(maxval(phase_Noutput), maxNmatIDs), source=0_pInt)
allocate(Noutput(maxNmatIDs), source=0_pInt)
allocate(constitutive_nonlocal_output(maxval(phase_Noutput), maxNmatIDs)) allocate(constitutive_nonlocal_output(maxval(phase_Noutput), maxNmatIDs))
allocate(Noutput(maxNmatIDs)) constitutive_nonlocal_output = ''
constitutive_nonlocal_sizeDotState = 0_pInt
constitutive_nonlocal_sizeDependentState = 0_pInt
constitutive_nonlocal_sizeState = 0_pInt
constitutive_nonlocal_sizePostResults = 0_pInt
constitutive_nonlocal_sizePostResult = 0_pInt
constitutive_nonlocal_output = ''
Noutput = 0_pInt
allocate(constitutive_nonlocal_structureID(maxNmatIDs)) allocate(constitutive_nonlocal_structureID(maxNmatIDs), source=LATTICE_undefined_ID)
allocate(constitutive_nonlocal_structure(maxNmatIDs)) allocate(constitutive_nonlocal_structure(maxNmatIDs), source=0_pInt)
allocate(Nslip(lattice_maxNslipFamily, maxNmatIDs)) allocate(Nslip(lattice_maxNslipFamily,maxNmatIDs), source=0_pInt)
allocate(slipFamily(lattice_maxNslip, maxNmatIDs)) allocate(slipFamily(lattice_maxNslip,maxNmatIDs), source=0_pInt)
allocate(slipSystemLattice(lattice_maxNslip, maxNmatIDs)) allocate(slipSystemLattice(lattice_maxNslip,maxNmatIDs), source=0_pInt)
allocate(totalNslip(maxNmatIDs)) allocate(totalNslip(maxNmatIDs), source=0_pInt)
constitutive_nonlocal_structureID = -1 allocate(CoverA(maxNmatIDs), source=0.0_pReal)
constitutive_nonlocal_structure = 0_pInt allocate(mu(maxNmatIDs), source=0.0_pReal)
Nslip = 0_pInt allocate(nu(maxNmatIDs), source=0.0_pReal)
slipFamily = 0_pInt allocate(atomicVolume(maxNmatIDs), source=0.0_pReal)
slipSystemLattice = 0_pInt allocate(Dsd0(maxNmatIDs), source=-1.0_pReal)
totalNslip = 0_pInt allocate(selfDiffusionEnergy(maxNmatIDs), source=0.0_pReal)
allocate(aTolRho(maxNmatIDs), source=0.0_pReal)
allocate(aTolShear(maxNmatIDs), source=0.0_pReal)
allocate(significantRho(maxNmatIDs), source=0.0_pReal)
allocate(significantN(maxNmatIDs), source=0.0_pReal)
allocate(Cslip66(6,6,maxNmatIDs), source=0.0_pReal)
allocate(Cslip3333(3,3,3,3,maxNmatIDs), source=0.0_pReal)
allocate(cutoffRadius(maxNmatIDs), source=-1.0_pReal)
allocate(doublekinkwidth(maxNmatIDs), source=0.0_pReal)
allocate(solidSolutionEnergy(maxNmatIDs), source=0.0_pReal)
allocate(solidSolutionSize(maxNmatIDs), source=0.0_pReal)
allocate(solidSolutionConcentration(maxNmatIDs), source=0.0_pReal)
allocate(pParam(maxNmatIDs), source=1.0_pReal)
allocate(qParam(maxNmatIDs), source=1.0_pReal)
allocate(viscosity(maxNmatIDs), source=0.0_pReal)
allocate(fattack(maxNmatIDs), source=0.0_pReal)
allocate(rhoSglScatter(maxNmatIDs), source=0.0_pReal)
allocate(rhoSglRandom(maxNmatIDs), source=0.0_pReal)
allocate(rhoSglRandomBinning(maxNmatIDs), source=1.0_pReal)
allocate(surfaceTransmissivity(maxNmatIDs), source=1.0_pReal)
allocate(grainboundaryTransmissivity(maxNmatIDs), source=-1.0_pReal)
allocate(CFLfactor(maxNmatIDs), source=2.0_pReal)
allocate(fEdgeMultiplication(maxNmatIDs), source=0.0_pReal)
allocate(linetensionEffect(maxNmatIDs), source=0.0_pReal)
allocate(edgeJogFactor(maxNmatIDs), source=1.0_pReal)
allocate(shortRangeStressCorrection(maxNmatIDs), source=.false.)
allocate(probabilisticMultiplication(maxNmatIDs), source=.false.)
allocate(CoverA(maxNmatIDs)) allocate(rhoSglEdgePos0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
allocate(mu(maxNmatIDs)) allocate(rhoSglEdgeNeg0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
allocate(nu(maxNmatIDs)) allocate(rhoSglScrewPos0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
allocate(atomicVolume(maxNmatIDs)) allocate(rhoSglScrewNeg0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
allocate(Dsd0(maxNmatIDs)) allocate(rhoDipEdge0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
allocate(selfDiffusionEnergy(maxNmatIDs)) allocate(rhoDipScrew0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
allocate(aTolRho(maxNmatIDs)) allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNmatIDs), source=0.0_pReal)
allocate(aTolShear(maxNmatIDs)) allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNmatIDs), source=0.0_pReal)
allocate(significantRho(maxNmatIDs)) allocate(interactionSlipSlip(lattice_maxNinteraction,maxNmatIDs), source=0.0_pReal)
allocate(significantN(maxNmatIDs)) allocate(minDipoleHeightPerSlipFamily(lattice_maxNslipFamily,2,maxNmatIDs), source=-1.0_pReal)
allocate(Cslip66(6,6,maxNmatIDs)) allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNmatIDs), source=0.0_pReal)
allocate(Cslip3333(3,3,3,3,maxNmatIDs)) allocate(nonSchmidCoeff(lattice_maxNnonSchmid,maxNmatIDs), source=0.0_pReal)
allocate(cutoffRadius(maxNmatIDs))
allocate(doublekinkwidth(maxNmatIDs))
allocate(solidSolutionEnergy(maxNmatIDs))
allocate(solidSolutionSize(maxNmatIDs))
allocate(solidSolutionConcentration(maxNmatIDs))
allocate(pParam(maxNmatIDs))
allocate(qParam(maxNmatIDs))
allocate(viscosity(maxNmatIDs))
allocate(fattack(maxNmatIDs))
allocate(rhoSglScatter(maxNmatIDs))
allocate(rhoSglRandom(maxNmatIDs))
allocate(rhoSglRandomBinning(maxNmatIDs))
allocate(surfaceTransmissivity(maxNmatIDs))
allocate(grainboundaryTransmissivity(maxNmatIDs))
allocate(shortRangeStressCorrection(maxNmatIDs))
allocate(probabilisticMultiplication(maxNmatIDs))
allocate(CFLfactor(maxNmatIDs))
allocate(fEdgeMultiplication(maxNmatIDs))
allocate(linetensionEffect(maxNmatIDs))
allocate(edgeJogFactor(maxNmatIDs))
CoverA = 0.0_pReal
mu = 0.0_pReal
atomicVolume = 0.0_pReal
Dsd0 = -1.0_pReal
selfDiffusionEnergy = 0.0_pReal
aTolRho = 0.0_pReal
aTolShear = 0.0_pReal
significantRho = 0.0_pReal
significantN = 0.0_pReal
nu = 0.0_pReal
Cslip66 = 0.0_pReal
Cslip3333 = 0.0_pReal
cutoffRadius = -1.0_pReal
doublekinkwidth = 0.0_pReal
solidSolutionEnergy = 0.0_pReal
solidSolutionSize = 0.0_pReal
solidSolutionConcentration = 0.0_pReal
pParam = 1.0_pReal
qParam = 1.0_pReal
viscosity = 0.0_pReal
fattack = 0.0_pReal
rhoSglScatter = 0.0_pReal
rhoSglRandom = 0.0_pReal
rhoSglRandomBinning = 1.0_pReal
surfaceTransmissivity = 1.0_pReal
grainboundaryTransmissivity = -1.0_pReal
CFLfactor = 2.0_pReal
fEdgeMultiplication = 0.0_pReal
linetensionEffect = 0.0_pReal
edgeJogFactor = 1.0_pReal
shortRangeStressCorrection = .false.
probabilisticMultiplication = .false.
allocate(rhoSglEdgePos0(lattice_maxNslipFamily,maxNmatIDs))
allocate(rhoSglEdgeNeg0(lattice_maxNslipFamily,maxNmatIDs))
allocate(rhoSglScrewPos0(lattice_maxNslipFamily,maxNmatIDs))
allocate(rhoSglScrewNeg0(lattice_maxNslipFamily,maxNmatIDs))
allocate(rhoDipEdge0(lattice_maxNslipFamily,maxNmatIDs))
allocate(rhoDipScrew0(lattice_maxNslipFamily,maxNmatIDs))
allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNmatIDs))
allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNmatIDs))
allocate(interactionSlipSlip(lattice_maxNinteraction,maxNmatIDs))
rhoSglEdgePos0 = -1.0_pReal
rhoSglEdgeNeg0 = -1.0_pReal
rhoSglScrewPos0 = -1.0_pReal
rhoSglScrewNeg0 = -1.0_pReal
rhoDipEdge0 = -1.0_pReal
rhoDipScrew0 = -1.0_pReal
burgersPerSlipFamily = 0.0_pReal
lambda0PerSlipFamily = 0.0_pReal
interactionSlipSlip = 0.0_pReal
allocate(minDipoleHeightPerSlipFamily(lattice_maxNslipFamily,2,maxNmatIDs))
allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNmatIDs))
minDipoleHeightPerSlipFamily = -1.0_pReal
peierlsStressPerSlipFamily = 0.0_pReal
allocate(nonSchmidCoeff(lattice_maxNnonSchmid,maxNmatIDs))
nonSchmidCoeff = 0.0_pReal
!*** readout data from material.config file !*** readout data from material.config file
rewind(myFile) rewind(fileUnit)
do while (trim(line) /= '#EOF#' .and. IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to <phase> do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to <phase>
line = IO_read(myFile) line = IO_read(fileUnit)
enddo enddo
do while (trim(line) /= '#EOF#') ! read thru sections of phase part do while (trim(line) /= IO_EOF) ! read thru sections of phase part
line = IO_read(myFile) line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part if (IO_getTag(line,'<','>') /= '') then
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1_pInt ! advance section counter section = section + 1_pInt ! advance section counter
cycle cycle
@ -963,73 +910,44 @@ enddo
maxTotalNslip = maxval(totalNslip) maxTotalNslip = maxval(totalNslip)
allocate(iRhoU(maxTotalNslip,4,maxNmatIDs)) allocate(iRhoU(maxTotalNslip,4,maxNmatIDs), source=0_pInt)
allocate(iRhoB(maxTotalNslip,4,maxNmatIDs)) allocate(iRhoB(maxTotalNslip,4,maxNmatIDs), source=0_pInt)
allocate(iRhoD(maxTotalNslip,2,maxNmatIDs)) allocate(iRhoD(maxTotalNslip,2,maxNmatIDs), source=0_pInt)
allocate(iV(maxTotalNslip,4,maxNmatIDs)) allocate(iV(maxTotalNslip,4,maxNmatIDs), source=0_pInt)
allocate(iD(maxTotalNslip,2,maxNmatIDs)) allocate(iD(maxTotalNslip,2,maxNmatIDs), source=0_pInt)
allocate(iGamma(maxTotalNslip,maxNmatIDs)) allocate(iGamma(maxTotalNslip,maxNmatIDs), source=0_pInt)
allocate(iRhoF(maxTotalNslip,maxNmatIDs)) allocate(iRhoF(maxTotalNslip,maxNmatIDs), source=0_pInt)
allocate(iTauF(maxTotalNslip,maxNmatIDs)) allocate(iTauF(maxTotalNslip,maxNmatIDs), source=0_pInt)
allocate(iTauB(maxTotalNslip,maxNmatIDs)) allocate(iTauB(maxTotalNslip,maxNmatIDs), source=0_pInt)
iRhoU = 0_pInt
iRhoB = 0_pInt
iRhoD = 0_pInt
iV = 0_pInt
iD = 0_pInt
iGamma = 0_pInt
iRhoF = 0_pInt
iTauF = 0_pInt
iTauB = 0_pInt
allocate(burgers(maxTotalNslip,maxNmatIDs)) allocate(burgers(maxTotalNslip,maxNmatIDs), source=0.0_pReal)
burgers = 0.0_pReal allocate(lambda0(maxTotalNslip,maxNmatIDs), source=0.0_pReal)
allocate(minDipoleHeight(maxTotalNslip,2,maxNmatIDs), source=-1.0_pReal)
allocate(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNmatIDs), source=0.0_pReal)
allocate(forestProjectionScrew(maxTotalNslip,maxTotalNslip,maxNmatIDs), source=0.0_pReal)
allocate(interactionMatrixSlipSlip(maxTotalNslip,maxTotalNslip,maxNmatIDs), source=0.0_pReal)
allocate(lattice2slip(1:3, 1:3, maxTotalNslip,maxNmatIDs), source=0.0_pReal)
allocate(sourceProbability(maxTotalNslip,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
source=2.0_pReal)
allocate(lambda0(maxTotalNslip,maxNmatIDs)) allocate(rhoDotFluxOutput(maxTotalNslip,8,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
lambda0 = 0.0_pReal source=0.0_pReal)
allocate(rhoDotMultiplicationOutput(maxTotalNslip,2,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
source=0.0_pReal)
allocate(rhoDotSingle2DipoleGlideOutput(maxTotalNslip,2,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
source=0.0_pReal)
allocate(rhoDotAthermalAnnihilationOutput(maxTotalNslip,2,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
source=0.0_pReal)
allocate(rhoDotThermalAnnihilationOutput(maxTotalNslip,2,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
source=0.0_pReal)
allocate(rhoDotEdgeJogsOutput(maxTotalNslip,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
source=0.0_pReal)
allocate(minDipoleHeight(maxTotalNslip,2,maxNmatIDs)) allocate(compatibility(2,maxTotalNslip,maxTotalNslip,mesh_maxNipNeighbors,mesh_maxNips,mesh_NcpElems), &
minDipoleHeight = -1.0_pReal source=0.0_pReal)
allocate(peierlsStress(maxTotalNslip,2,maxNmatIDs), source=0.0_pReal)
allocate(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNmatIDs)) allocate(colinearSystem(maxTotalNslip,maxNmatIDs), source=0_pInt)
forestProjectionEdge = 0.0_pReal allocate(nonSchmidProjection(3,3,4,maxTotalNslip,maxNmatIDs), source=0.0_pReal)
allocate(forestProjectionScrew(maxTotalNslip,maxTotalNslip,maxNmatIDs))
forestProjectionScrew = 0.0_pReal
allocate(interactionMatrixSlipSlip(maxTotalNslip,maxTotalNslip,maxNmatIDs))
interactionMatrixSlipSlip = 0.0_pReal
allocate(lattice2slip(1:3, 1:3, maxTotalNslip, maxNmatIDs))
lattice2slip = 0.0_pReal
allocate(sourceProbability(maxTotalNslip, homogenization_maxNgrains, mesh_maxNips, mesh_NcpElems))
sourceProbability = 2.0_pReal
allocate(rhoDotFluxOutput(maxTotalNslip, 8, homogenization_maxNgrains, mesh_maxNips, mesh_NcpElems))
allocate(rhoDotMultiplicationOutput(maxTotalNslip, 2, homogenization_maxNgrains, mesh_maxNips, mesh_NcpElems))
allocate(rhoDotSingle2DipoleGlideOutput(maxTotalNslip, 2, homogenization_maxNgrains, mesh_maxNips, mesh_NcpElems))
allocate(rhoDotAthermalAnnihilationOutput(maxTotalNslip, 2, homogenization_maxNgrains, mesh_maxNips, mesh_NcpElems))
allocate(rhoDotThermalAnnihilationOutput(maxTotalNslip, 2, homogenization_maxNgrains, mesh_maxNips, mesh_NcpElems))
allocate(rhoDotEdgeJogsOutput(maxTotalNslip, homogenization_maxNgrains, mesh_maxNips, mesh_NcpElems))
rhoDotFluxOutput = 0.0_pReal
rhoDotMultiplicationOutput = 0.0_pReal
rhoDotSingle2DipoleGlideOutput = 0.0_pReal
rhoDotAthermalAnnihilationOutput = 0.0_pReal
rhoDotThermalAnnihilationOutput = 0.0_pReal
rhoDotEdgeJogsOutput = 0.0_pReal
allocate(compatibility(2,maxTotalNslip, maxTotalNslip, mesh_maxNipNeighbors, mesh_maxNips, mesh_NcpElems))
compatibility = 0.0_pReal
allocate(peierlsStress(maxTotalNslip,2,maxNmatIDs))
peierlsStress = 0.0_pReal
allocate(colinearSystem(maxTotalNslip,maxNmatIDs))
colinearSystem = 0_pInt
allocate(nonSchmidProjection(3,3,4,maxTotalNslip,maxNmatIDs))
nonSchmidProjection = 0.0_pReal
instancesLoop: do i = 1,maxNmatIDs instancesLoop: do i = 1,maxNmatIDs