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
parent
dd77690a68
commit
9b9f4dd624
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@ -30,7 +30,7 @@ use prec, only: &
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pInt, &
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p_vec
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use lattice, only: &
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LATTICE_iso_ID
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LATTICE_undefined_ID
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implicit none
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private
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@ -94,7 +94,7 @@ iV, & !< state in
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iD !< state indices for stable dipole height
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integer(kind(LATTICE_iso_ID)), dimension(:), allocatable, public :: &
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integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: &
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constitutive_nonlocal_structureID !< ID of the lattice structure
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integer(pInt), dimension(:), allocatable, public :: &
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@ -187,7 +187,8 @@ shortRangeStressCorrection, & !< flag ind
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probabilisticMultiplication
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enum, bind(c)
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enumerator :: rho_ID, &
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enumerator :: undefined_ID, &
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rho_ID, &
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delta_ID, &
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rho_edge_ID, &
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rho_screw_ID, &
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@ -270,7 +271,7 @@ enum, bind(c)
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accumulatedshear_ID, &
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dislocationstress_ID
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end enum
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integer(kind(rho_ID)), dimension(:,:), allocatable, private :: &
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integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: &
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constitutive_nonlocal_outputID !< ID of each post result output
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public :: &
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@ -296,7 +297,7 @@ contains
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!> @brief module initialization
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!> @details reads in material parameters, allocates arrays, and does sanity checks
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!--------------------------------------------------------------------------------------------------
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subroutine constitutive_nonlocal_init(myFile)
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subroutine constitutive_nonlocal_init(fileUnit)
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use math, only: math_Mandel3333to66, &
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math_Voigt66to3333, &
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@ -312,7 +313,8 @@ use IO, only: IO_read, &
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IO_intValue, &
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IO_error, &
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IO_warning, &
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IO_timeStamp
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IO_timeStamp, &
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IO_EOF
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use debug, only: debug_level, &
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debug_constitutive, &
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debug_levelBasic
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@ -327,7 +329,7 @@ use material, only: homogenization_maxNgrains, &
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PLASTICITY_NONLOCAL_ID
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use lattice
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integer(pInt), intent(in) :: myFile
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integer(pInt), intent(in) :: fileUnit
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!*** local variables
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integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt
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@ -372,137 +374,82 @@ integer(pInt) :: section = 0_pInt, &
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!*** memory allocation for global variables
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allocate(constitutive_nonlocal_sizeDotState(maxNmatIDs))
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allocate(constitutive_nonlocal_sizeDependentState(maxNmatIDs))
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allocate(constitutive_nonlocal_sizeState(maxNmatIDs))
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allocate(constitutive_nonlocal_sizePostResults(maxNmatIDs))
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allocate(constitutive_nonlocal_sizePostResult(maxval(phase_Noutput), maxNmatIDs))
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allocate(constitutive_nonlocal_sizeDotState(maxNmatIDs), source=0_pInt)
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allocate(constitutive_nonlocal_sizeDependentState(maxNmatIDs), source=0_pInt)
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allocate(constitutive_nonlocal_sizeState(maxNmatIDs), source=0_pInt)
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allocate(constitutive_nonlocal_sizePostResults(maxNmatIDs), source=0_pInt)
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allocate(constitutive_nonlocal_sizePostResult(maxval(phase_Noutput), maxNmatIDs), source=0_pInt)
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allocate(Noutput(maxNmatIDs), source=0_pInt)
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allocate(constitutive_nonlocal_output(maxval(phase_Noutput), maxNmatIDs))
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allocate(Noutput(maxNmatIDs))
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constitutive_nonlocal_sizeDotState = 0_pInt
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constitutive_nonlocal_sizeDependentState = 0_pInt
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constitutive_nonlocal_sizeState = 0_pInt
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constitutive_nonlocal_sizePostResults = 0_pInt
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constitutive_nonlocal_sizePostResult = 0_pInt
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constitutive_nonlocal_output = ''
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Noutput = 0_pInt
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constitutive_nonlocal_output = ''
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allocate(constitutive_nonlocal_structureID(maxNmatIDs))
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allocate(constitutive_nonlocal_structure(maxNmatIDs))
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allocate(Nslip(lattice_maxNslipFamily, maxNmatIDs))
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allocate(slipFamily(lattice_maxNslip, maxNmatIDs))
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allocate(slipSystemLattice(lattice_maxNslip, maxNmatIDs))
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allocate(totalNslip(maxNmatIDs))
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constitutive_nonlocal_structureID = -1
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constitutive_nonlocal_structure = 0_pInt
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Nslip = 0_pInt
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slipFamily = 0_pInt
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slipSystemLattice = 0_pInt
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totalNslip = 0_pInt
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allocate(constitutive_nonlocal_structureID(maxNmatIDs), source=LATTICE_undefined_ID)
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allocate(constitutive_nonlocal_structure(maxNmatIDs), source=0_pInt)
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allocate(Nslip(lattice_maxNslipFamily,maxNmatIDs), source=0_pInt)
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allocate(slipFamily(lattice_maxNslip,maxNmatIDs), source=0_pInt)
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allocate(slipSystemLattice(lattice_maxNslip,maxNmatIDs), source=0_pInt)
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allocate(totalNslip(maxNmatIDs), source=0_pInt)
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allocate(CoverA(maxNmatIDs), source=0.0_pReal)
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allocate(mu(maxNmatIDs), source=0.0_pReal)
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allocate(nu(maxNmatIDs), source=0.0_pReal)
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allocate(atomicVolume(maxNmatIDs), source=0.0_pReal)
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allocate(Dsd0(maxNmatIDs), source=-1.0_pReal)
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allocate(selfDiffusionEnergy(maxNmatIDs), source=0.0_pReal)
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allocate(aTolRho(maxNmatIDs), source=0.0_pReal)
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allocate(aTolShear(maxNmatIDs), source=0.0_pReal)
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allocate(significantRho(maxNmatIDs), source=0.0_pReal)
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allocate(significantN(maxNmatIDs), source=0.0_pReal)
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allocate(Cslip66(6,6,maxNmatIDs), source=0.0_pReal)
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allocate(Cslip3333(3,3,3,3,maxNmatIDs), source=0.0_pReal)
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allocate(cutoffRadius(maxNmatIDs), source=-1.0_pReal)
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allocate(doublekinkwidth(maxNmatIDs), source=0.0_pReal)
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allocate(solidSolutionEnergy(maxNmatIDs), source=0.0_pReal)
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allocate(solidSolutionSize(maxNmatIDs), source=0.0_pReal)
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allocate(solidSolutionConcentration(maxNmatIDs), source=0.0_pReal)
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allocate(pParam(maxNmatIDs), source=1.0_pReal)
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allocate(qParam(maxNmatIDs), source=1.0_pReal)
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allocate(viscosity(maxNmatIDs), source=0.0_pReal)
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allocate(fattack(maxNmatIDs), source=0.0_pReal)
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allocate(rhoSglScatter(maxNmatIDs), source=0.0_pReal)
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allocate(rhoSglRandom(maxNmatIDs), source=0.0_pReal)
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allocate(rhoSglRandomBinning(maxNmatIDs), source=1.0_pReal)
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allocate(surfaceTransmissivity(maxNmatIDs), source=1.0_pReal)
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allocate(grainboundaryTransmissivity(maxNmatIDs), source=-1.0_pReal)
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allocate(CFLfactor(maxNmatIDs), source=2.0_pReal)
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allocate(fEdgeMultiplication(maxNmatIDs), source=0.0_pReal)
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allocate(linetensionEffect(maxNmatIDs), source=0.0_pReal)
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allocate(edgeJogFactor(maxNmatIDs), source=1.0_pReal)
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allocate(shortRangeStressCorrection(maxNmatIDs), source=.false.)
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allocate(probabilisticMultiplication(maxNmatIDs), source=.false.)
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allocate(CoverA(maxNmatIDs))
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allocate(mu(maxNmatIDs))
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allocate(nu(maxNmatIDs))
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allocate(atomicVolume(maxNmatIDs))
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allocate(Dsd0(maxNmatIDs))
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allocate(selfDiffusionEnergy(maxNmatIDs))
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allocate(aTolRho(maxNmatIDs))
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allocate(aTolShear(maxNmatIDs))
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allocate(significantRho(maxNmatIDs))
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allocate(significantN(maxNmatIDs))
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allocate(Cslip66(6,6,maxNmatIDs))
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allocate(Cslip3333(3,3,3,3,maxNmatIDs))
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allocate(cutoffRadius(maxNmatIDs))
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allocate(doublekinkwidth(maxNmatIDs))
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allocate(solidSolutionEnergy(maxNmatIDs))
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allocate(solidSolutionSize(maxNmatIDs))
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allocate(solidSolutionConcentration(maxNmatIDs))
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allocate(pParam(maxNmatIDs))
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allocate(qParam(maxNmatIDs))
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allocate(viscosity(maxNmatIDs))
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allocate(fattack(maxNmatIDs))
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allocate(rhoSglScatter(maxNmatIDs))
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allocate(rhoSglRandom(maxNmatIDs))
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allocate(rhoSglRandomBinning(maxNmatIDs))
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allocate(surfaceTransmissivity(maxNmatIDs))
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allocate(grainboundaryTransmissivity(maxNmatIDs))
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allocate(shortRangeStressCorrection(maxNmatIDs))
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allocate(probabilisticMultiplication(maxNmatIDs))
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allocate(CFLfactor(maxNmatIDs))
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allocate(fEdgeMultiplication(maxNmatIDs))
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allocate(linetensionEffect(maxNmatIDs))
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allocate(edgeJogFactor(maxNmatIDs))
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CoverA = 0.0_pReal
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mu = 0.0_pReal
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atomicVolume = 0.0_pReal
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Dsd0 = -1.0_pReal
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selfDiffusionEnergy = 0.0_pReal
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aTolRho = 0.0_pReal
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aTolShear = 0.0_pReal
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significantRho = 0.0_pReal
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significantN = 0.0_pReal
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nu = 0.0_pReal
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Cslip66 = 0.0_pReal
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Cslip3333 = 0.0_pReal
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cutoffRadius = -1.0_pReal
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doublekinkwidth = 0.0_pReal
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solidSolutionEnergy = 0.0_pReal
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solidSolutionSize = 0.0_pReal
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solidSolutionConcentration = 0.0_pReal
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pParam = 1.0_pReal
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qParam = 1.0_pReal
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viscosity = 0.0_pReal
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fattack = 0.0_pReal
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rhoSglScatter = 0.0_pReal
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rhoSglRandom = 0.0_pReal
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rhoSglRandomBinning = 1.0_pReal
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surfaceTransmissivity = 1.0_pReal
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grainboundaryTransmissivity = -1.0_pReal
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CFLfactor = 2.0_pReal
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fEdgeMultiplication = 0.0_pReal
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linetensionEffect = 0.0_pReal
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edgeJogFactor = 1.0_pReal
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shortRangeStressCorrection = .false.
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probabilisticMultiplication = .false.
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allocate(rhoSglEdgePos0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
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allocate(rhoSglEdgeNeg0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
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allocate(rhoSglScrewPos0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
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allocate(rhoSglScrewNeg0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
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allocate(rhoDipEdge0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
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allocate(rhoDipScrew0(lattice_maxNslipFamily,maxNmatIDs), source=-1.0_pReal)
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allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNmatIDs), source=0.0_pReal)
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allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNmatIDs), source=0.0_pReal)
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allocate(interactionSlipSlip(lattice_maxNinteraction,maxNmatIDs), source=0.0_pReal)
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allocate(minDipoleHeightPerSlipFamily(lattice_maxNslipFamily,2,maxNmatIDs), source=-1.0_pReal)
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allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNmatIDs), source=0.0_pReal)
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allocate(nonSchmidCoeff(lattice_maxNnonSchmid,maxNmatIDs), source=0.0_pReal)
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allocate(rhoSglEdgePos0(lattice_maxNslipFamily,maxNmatIDs))
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allocate(rhoSglEdgeNeg0(lattice_maxNslipFamily,maxNmatIDs))
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allocate(rhoSglScrewPos0(lattice_maxNslipFamily,maxNmatIDs))
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allocate(rhoSglScrewNeg0(lattice_maxNslipFamily,maxNmatIDs))
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allocate(rhoDipEdge0(lattice_maxNslipFamily,maxNmatIDs))
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allocate(rhoDipScrew0(lattice_maxNslipFamily,maxNmatIDs))
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allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNmatIDs))
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allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNmatIDs))
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allocate(interactionSlipSlip(lattice_maxNinteraction,maxNmatIDs))
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rhoSglEdgePos0 = -1.0_pReal
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rhoSglEdgeNeg0 = -1.0_pReal
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rhoSglScrewPos0 = -1.0_pReal
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rhoSglScrewNeg0 = -1.0_pReal
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rhoDipEdge0 = -1.0_pReal
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rhoDipScrew0 = -1.0_pReal
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burgersPerSlipFamily = 0.0_pReal
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lambda0PerSlipFamily = 0.0_pReal
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interactionSlipSlip = 0.0_pReal
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allocate(minDipoleHeightPerSlipFamily(lattice_maxNslipFamily,2,maxNmatIDs))
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allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNmatIDs))
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minDipoleHeightPerSlipFamily = -1.0_pReal
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peierlsStressPerSlipFamily = 0.0_pReal
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allocate(nonSchmidCoeff(lattice_maxNnonSchmid,maxNmatIDs))
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nonSchmidCoeff = 0.0_pReal
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!*** readout data from material.config file
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rewind(myFile)
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do while (trim(line) /= '#EOF#' .and. IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to <phase>
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line = IO_read(myFile)
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rewind(fileUnit)
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do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to <phase>
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line = IO_read(fileUnit)
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enddo
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do while (trim(line) /= '#EOF#') ! read thru sections of phase part
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line = IO_read(myFile)
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do while (trim(line) /= IO_EOF) ! read thru sections of phase part
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line = IO_read(fileUnit)
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if (IO_isBlank(line)) cycle ! skip empty lines
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if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
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if (IO_getTag(line,'<','>') /= '') then
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line = IO_read(fileUnit, .true.) ! reset IO_read
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exit
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endif
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if (IO_getTag(line,'[',']') /= '') then ! next section
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section = section + 1_pInt ! advance section counter
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cycle
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@ -687,16 +634,16 @@ do while (trim(line) /= '#EOF#')
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case ('lattice_structure')
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structure = IO_lc(IO_stringValue(line,positions,2_pInt))
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select case(structure(1:3))
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case(LATTICE_iso_label)
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constitutive_nonlocal_structureID(i) = LATTICE_iso_ID
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case(LATTICE_fcc_label)
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constitutive_nonlocal_structureID(i) = LATTICE_fcc_ID
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case(LATTICE_bcc_label)
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constitutive_nonlocal_structureID(i) = LATTICE_bcc_ID
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case(LATTICE_hex_label)
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constitutive_nonlocal_structureID(i) = LATTICE_hex_ID
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case(LATTICE_ort_label)
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constitutive_nonlocal_structureID(i) = LATTICE_ort_ID
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case(LATTICE_iso_label)
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constitutive_nonlocal_structureID(i) = LATTICE_iso_ID
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case(LATTICE_fcc_label)
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constitutive_nonlocal_structureID(i) = LATTICE_fcc_ID
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case(LATTICE_bcc_label)
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constitutive_nonlocal_structureID(i) = LATTICE_bcc_ID
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case(LATTICE_hex_label)
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constitutive_nonlocal_structureID(i) = LATTICE_hex_ID
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case(LATTICE_ort_label)
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constitutive_nonlocal_structureID(i) = LATTICE_ort_ID
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end select
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configNchunks = lattice_configNchunks(constitutive_nonlocal_structureID(i))
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Nchunks_SlipFamilies = configNchunks(1)
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@ -963,73 +910,44 @@ enddo
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maxTotalNslip = maxval(totalNslip)
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allocate(iRhoU(maxTotalNslip,4,maxNmatIDs))
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allocate(iRhoB(maxTotalNslip,4,maxNmatIDs))
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allocate(iRhoD(maxTotalNslip,2,maxNmatIDs))
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allocate(iV(maxTotalNslip,4,maxNmatIDs))
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allocate(iD(maxTotalNslip,2,maxNmatIDs))
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allocate(iGamma(maxTotalNslip,maxNmatIDs))
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allocate(iRhoF(maxTotalNslip,maxNmatIDs))
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allocate(iTauF(maxTotalNslip,maxNmatIDs))
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allocate(iTauB(maxTotalNslip,maxNmatIDs))
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iRhoU = 0_pInt
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iRhoB = 0_pInt
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iRhoD = 0_pInt
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iV = 0_pInt
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iD = 0_pInt
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iGamma = 0_pInt
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iRhoF = 0_pInt
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iTauF = 0_pInt
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iTauB = 0_pInt
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allocate(iRhoU(maxTotalNslip,4,maxNmatIDs), source=0_pInt)
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allocate(iRhoB(maxTotalNslip,4,maxNmatIDs), source=0_pInt)
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allocate(iRhoD(maxTotalNslip,2,maxNmatIDs), source=0_pInt)
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allocate(iV(maxTotalNslip,4,maxNmatIDs), source=0_pInt)
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allocate(iD(maxTotalNslip,2,maxNmatIDs), source=0_pInt)
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allocate(iGamma(maxTotalNslip,maxNmatIDs), source=0_pInt)
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allocate(iRhoF(maxTotalNslip,maxNmatIDs), source=0_pInt)
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allocate(iTauF(maxTotalNslip,maxNmatIDs), source=0_pInt)
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allocate(iTauB(maxTotalNslip,maxNmatIDs), source=0_pInt)
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allocate(burgers(maxTotalNslip,maxNmatIDs))
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burgers = 0.0_pReal
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allocate(burgers(maxTotalNslip,maxNmatIDs), source=0.0_pReal)
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allocate(lambda0(maxTotalNslip,maxNmatIDs), source=0.0_pReal)
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allocate(minDipoleHeight(maxTotalNslip,2,maxNmatIDs), source=-1.0_pReal)
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allocate(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNmatIDs), source=0.0_pReal)
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allocate(forestProjectionScrew(maxTotalNslip,maxTotalNslip,maxNmatIDs), source=0.0_pReal)
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allocate(interactionMatrixSlipSlip(maxTotalNslip,maxTotalNslip,maxNmatIDs), source=0.0_pReal)
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allocate(lattice2slip(1:3, 1:3, maxTotalNslip,maxNmatIDs), source=0.0_pReal)
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allocate(sourceProbability(maxTotalNslip,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
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source=2.0_pReal)
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allocate(lambda0(maxTotalNslip,maxNmatIDs))
|
||||
lambda0 = 0.0_pReal
|
||||
allocate(rhoDotFluxOutput(maxTotalNslip,8,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
|
||||
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))
|
||||
minDipoleHeight = -1.0_pReal
|
||||
|
||||
allocate(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNmatIDs))
|
||||
forestProjectionEdge = 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
|
||||
allocate(compatibility(2,maxTotalNslip,maxTotalNslip,mesh_maxNipNeighbors,mesh_maxNips,mesh_NcpElems), &
|
||||
source=0.0_pReal)
|
||||
allocate(peierlsStress(maxTotalNslip,2,maxNmatIDs), source=0.0_pReal)
|
||||
allocate(colinearSystem(maxTotalNslip,maxNmatIDs), source=0_pInt)
|
||||
allocate(nonSchmidProjection(3,3,4,maxTotalNslip,maxNmatIDs), source=0.0_pReal)
|
||||
|
||||
|
||||
instancesLoop: do i = 1,maxNmatIDs
|
||||
|
|
|
|||
Loading…
Reference in New Issue