2267 lines
128 KiB
Fortran
2267 lines
128 KiB
Fortran
!* $Id$
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!************************************
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!* Module: CONSTITUTIVE_NONLOCAL *
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!************************************
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!* contains: *
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!* - constitutive equations *
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!* - parameters definition *
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!************************************
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MODULE constitutive_nonlocal
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!* Include other modules
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use prec, only: pReal,pInt
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implicit none
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!* Definition of parameters
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character (len=*), parameter :: constitutive_nonlocal_label = 'nonlocal'
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character(len=22), dimension(10), parameter :: constitutive_nonlocal_listBasicStates = (/'rhoSglEdgePosMobile ', &
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'rhoSglEdgeNegMobile ', &
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'rhoSglScrewPosMobile ', &
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'rhoSglScrewNegMobile ', &
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'rhoSglEdgePosImmobile ', &
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'rhoSglEdgeNegImmobile ', &
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'rhoSglScrewPosImmobile', &
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'rhoSglScrewNegImmobile', &
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'rhoDipEdge ', &
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'rhoDipScrew ' /) ! list of "basic" microstructural state variables that are independent from other state variables
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character(len=15), dimension(3), parameter :: constitutive_nonlocal_listDependentStates = (/'rhoForest ', &
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'tauThreshold ', &
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'Tdislocation_v ' /) ! list of microstructural state variables that depend on other state variables
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real(pReal), parameter :: kB = 1.38e-23_pReal ! Physical parameter, Boltzmann constant in J/Kelvin
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!* Definition of global variables
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integer(pInt), dimension(:), allocatable :: constitutive_nonlocal_sizeDotState, & ! number of dotStates
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constitutive_nonlocal_sizeState, & ! total number of microstructural state variables
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constitutive_nonlocal_sizePostResults ! cumulative size of post results
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integer(pInt), dimension(:,:), allocatable, target :: constitutive_nonlocal_sizePostResult ! size of each post result output
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character(len=64), dimension(:,:), allocatable, target :: constitutive_nonlocal_output ! name of each post result output
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character(len=32), dimension(:), allocatable :: constitutive_nonlocal_structureName ! name of the lattice structure
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integer(pInt), dimension(:), allocatable :: constitutive_nonlocal_structure, & ! number representing the kind of lattice structure
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constitutive_nonlocal_totalNslip ! total number of active slip systems for each instance
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integer(pInt), dimension(:,:), allocatable :: constitutive_nonlocal_Nslip, & ! number of active slip systems for each family and instance
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constitutive_nonlocal_slipFamily, & ! lookup table relating active slip system to slip family for each instance
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constitutive_nonlocal_slipSystemLattice ! lookup table relating active slip system index to lattice slip system index for each instance
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real(pReal), dimension(:), allocatable :: constitutive_nonlocal_CoverA, & ! c/a ratio for hex type lattice
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constitutive_nonlocal_C11, & ! C11 element in elasticity matrix
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constitutive_nonlocal_C12, & ! C12 element in elasticity matrix
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constitutive_nonlocal_C13, & ! C13 element in elasticity matrix
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constitutive_nonlocal_C33, & ! C33 element in elasticity matrix
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constitutive_nonlocal_C44, & ! C44 element in elasticity matrix
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constitutive_nonlocal_Gmod, & ! shear modulus
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constitutive_nonlocal_nu, & ! poisson's ratio
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constitutive_nonlocal_Q0, & ! activation energy for dislocation glide
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constitutive_nonlocal_atomicVolume, & ! atomic volume
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constitutive_nonlocal_D0, & ! prefactor for self-diffusion coefficient
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constitutive_nonlocal_Qsd, & ! activation enthalpy for diffusion
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constitutive_nonlocal_relevantRho ! dislocation density considered relevant
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real(pReal), dimension(:,:,:), allocatable :: constitutive_nonlocal_Cslip_66 ! elasticity matrix in Mandel notation for each instance
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real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_nonlocal_Cslip_3333 ! elasticity matrix for each instance
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real(pReal), dimension(:,:), allocatable :: constitutive_nonlocal_rhoSglEdgePos0, & ! initial edge_pos dislocation density per slip system for each family and instance
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constitutive_nonlocal_rhoSglEdgeNeg0, & ! initial edge_neg dislocation density per slip system for each family and instance
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constitutive_nonlocal_rhoSglScrewPos0, & ! initial screw_pos dislocation density per slip system for each family and instance
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constitutive_nonlocal_rhoSglScrewNeg0, & ! initial screw_neg dislocation density per slip system for each family and instance
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constitutive_nonlocal_rhoDipEdge0, & ! initial edge dipole dislocation density per slip system for each family and instance
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constitutive_nonlocal_rhoDipScrew0, & ! initial screw dipole dislocation density per slip system for each family and instance
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constitutive_nonlocal_v0PerSlipFamily, & ! dislocation velocity prefactor [m/s] for each family and instance
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constitutive_nonlocal_v0PerSlipSystem, & ! dislocation velocity prefactor [m/s] for each slip system and instance
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constitutive_nonlocal_lambda0PerSlipFamily, & ! mean free path prefactor for each family and instance
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constitutive_nonlocal_lambda0PerSlipSystem, & ! mean free path prefactor for each slip system and instance
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constitutive_nonlocal_burgersPerSlipFamily, & ! absolute length of burgers vector [m] for each family and instance
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constitutive_nonlocal_burgersPerSlipSystem, & ! absolute length of burgers vector [m] for each slip system and instance
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constitutive_nonlocal_dLowerEdgePerSlipFamily, & ! minimum stable edge dipole height for each family and instance
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constitutive_nonlocal_dLowerEdgePerSlipSystem, & ! minimum stable edge dipole height for each slip system and instance
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constitutive_nonlocal_dLowerScrewPerSlipFamily, & ! minimum stable screw dipole height for each family and instance
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constitutive_nonlocal_dLowerScrewPerSlipSystem, & ! minimum stable screw dipole height for each slip system and instance
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constitutive_nonlocal_interactionSlipSlip ! coefficients for slip-slip interaction for each interaction type and instance
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real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_nonlocal_v, & ! dislocation velocity
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constitutive_nonlocal_rhoDotFlux ! dislocation convection term
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real(pReal), dimension(:,:,:), allocatable :: constitutive_nonlocal_forestProjectionEdge, & ! matrix of forest projections of edge dislocations for each instance
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constitutive_nonlocal_forestProjectionScrew, & ! matrix of forest projections of screw dislocations for each instance
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constitutive_nonlocal_interactionMatrixSlipSlip ! interaction matrix of the different slip systems for each instance
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CONTAINS
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!****************************************
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!* - constitutive_init
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!* - constitutive_stateInit
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!* - constitutive_homogenizedC
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!* - constitutive_microstructure
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!* - constitutive_LpAndItsTangent
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!* - constitutive_dotState
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!* - constitutive_dotTemperature
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!* - constitutive_postResults
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!****************************************
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!**************************************
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!* Module initialization *
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!**************************************
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subroutine constitutive_nonlocal_init(file)
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use prec, only: pInt, pReal
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use math, only: math_Mandel3333to66, &
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math_Voigt66to3333, &
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math_mul3x3
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use IO, only: IO_lc, &
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IO_getTag, &
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IO_isBlank, &
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IO_stringPos, &
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IO_stringValue, &
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IO_floatValue, &
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IO_intValue, &
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IO_error
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use mesh, only: mesh_NcpElems, &
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mesh_maxNips
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use material, only: homogenization_maxNgrains, &
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phase_constitution, &
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phase_constitutionInstance, &
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phase_Noutput
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use lattice, only: lattice_maxNslipFamily, &
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lattice_maxNtwinFamily, &
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lattice_maxNslip, &
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lattice_maxNtwin, &
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lattice_maxNinteraction, &
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lattice_NslipSystem, &
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lattice_NtwinSystem, &
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lattice_initializeStructure, &
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lattice_Qtwin, &
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lattice_sd, &
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lattice_sn, &
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lattice_st, &
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lattice_interactionSlipSlip
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!*** output variables
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!*** input variables
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integer(pInt), intent(in) :: file
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!*** local variables
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integer(pInt), parameter :: maxNchunks = 21
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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integer(pInt) section, &
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maxNinstance, &
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maxTotalNslip, &
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myStructure, &
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f, & ! index of my slip family
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i, & ! index of my instance of this constitution
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j, &
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k, &
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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
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s, & ! index of my slip system
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s1, & ! index of my slip system
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s2, & ! index of my slip system
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it, & ! index of my interaction type
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output, &
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mySize
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character(len=64) tag
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character(len=1024) line
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write(6,*)
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write(6,'(a20,a20,a12)') '<<<+- constitutive_',constitutive_nonlocal_label,' init -+>>>'
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write(6,*) '$Id$'
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write(6,*)
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maxNinstance = count(phase_constitution == constitutive_nonlocal_label)
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if (maxNinstance == 0) return ! we don't have to do anything if there's no instance for this constitutive law
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!*** space allocation for global variables
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allocate(constitutive_nonlocal_sizeDotState(maxNinstance))
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allocate(constitutive_nonlocal_sizeState(maxNinstance))
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allocate(constitutive_nonlocal_sizePostResults(maxNinstance))
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allocate(constitutive_nonlocal_sizePostResult(maxval(phase_Noutput), maxNinstance))
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allocate(constitutive_nonlocal_output(maxval(phase_Noutput), maxNinstance))
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constitutive_nonlocal_sizeDotState = 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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allocate(constitutive_nonlocal_structureName(maxNinstance))
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allocate(constitutive_nonlocal_structure(maxNinstance))
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allocate(constitutive_nonlocal_Nslip(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_slipFamily(lattice_maxNslip, maxNinstance))
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allocate(constitutive_nonlocal_slipSystemLattice(lattice_maxNslip, maxNinstance))
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allocate(constitutive_nonlocal_totalNslip(maxNinstance))
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constitutive_nonlocal_structureName = ''
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constitutive_nonlocal_structure = 0_pInt
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constitutive_nonlocal_Nslip = 0_pInt
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constitutive_nonlocal_slipFamily = 0_pInt
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constitutive_nonlocal_slipSystemLattice = 0_pInt
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constitutive_nonlocal_totalNslip = 0_pInt
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allocate(constitutive_nonlocal_CoverA(maxNinstance))
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allocate(constitutive_nonlocal_C11(maxNinstance))
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allocate(constitutive_nonlocal_C12(maxNinstance))
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allocate(constitutive_nonlocal_C13(maxNinstance))
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allocate(constitutive_nonlocal_C33(maxNinstance))
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allocate(constitutive_nonlocal_C44(maxNinstance))
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allocate(constitutive_nonlocal_Gmod(maxNinstance))
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allocate(constitutive_nonlocal_nu(maxNinstance))
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allocate(constitutive_nonlocal_Q0(maxNinstance))
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allocate(constitutive_nonlocal_atomicVolume(maxNinstance))
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allocate(constitutive_nonlocal_D0(maxNinstance))
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allocate(constitutive_nonlocal_Qsd(maxNinstance))
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allocate(constitutive_nonlocal_relevantRho(maxNinstance))
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allocate(constitutive_nonlocal_Cslip_66(6,6,maxNinstance))
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allocate(constitutive_nonlocal_Cslip_3333(3,3,3,3,maxNinstance))
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constitutive_nonlocal_CoverA = 0.0_pReal
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constitutive_nonlocal_C11 = 0.0_pReal
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constitutive_nonlocal_C12 = 0.0_pReal
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constitutive_nonlocal_C13 = 0.0_pReal
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constitutive_nonlocal_C33 = 0.0_pReal
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constitutive_nonlocal_C44 = 0.0_pReal
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constitutive_nonlocal_Gmod = 0.0_pReal
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constitutive_nonlocal_Q0 = 0.0_pReal
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constitutive_nonlocal_atomicVolume = 0.0_pReal
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constitutive_nonlocal_D0 = 0.0_pReal
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constitutive_nonlocal_Qsd = 0.0_pReal
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constitutive_nonlocal_relevantRho = 0.0_pReal
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constitutive_nonlocal_nu = 0.0_pReal
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constitutive_nonlocal_Cslip_66 = 0.0_pReal
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constitutive_nonlocal_Cslip_3333 = 0.0_pReal
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allocate(constitutive_nonlocal_rhoSglEdgePos0(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_rhoSglEdgeNeg0(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_rhoSglScrewPos0(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_rhoSglScrewNeg0(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_rhoDipEdge0(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_rhoDipScrew0(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_v0PerSlipFamily(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_burgersPerSlipFamily(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_Lambda0PerSlipFamily(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_interactionSlipSlip(lattice_maxNinteraction, maxNinstance))
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allocate(constitutive_nonlocal_dLowerEdgePerSlipFamily(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_dLowerScrewPerSlipFamily(lattice_maxNslipFamily, maxNinstance))
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constitutive_nonlocal_rhoSglEdgePos0 = 0.0_pReal
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constitutive_nonlocal_rhoSglEdgeNeg0 = 0.0_pReal
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constitutive_nonlocal_rhoSglScrewPos0 = 0.0_pReal
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constitutive_nonlocal_rhoSglScrewNeg0 = 0.0_pReal
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constitutive_nonlocal_rhoDipEdge0 = 0.0_pReal
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constitutive_nonlocal_rhoDipScrew0 = 0.0_pReal
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constitutive_nonlocal_v0PerSlipFamily = 0.0_pReal
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constitutive_nonlocal_burgersPerSlipFamily = 0.0_pReal
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constitutive_nonlocal_lambda0PerSlipFamily = 0.0_pReal
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constitutive_nonlocal_interactionSlipSlip = 0.0_pReal
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constitutive_nonlocal_dLowerEdgePerSlipFamily = 0.0_pReal
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constitutive_nonlocal_dLowerScrewPerSlipFamily = 0.0_pReal
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!*** readout data from material.config file
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rewind(file)
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line = ''
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section = 0
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do while (IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to <phase>
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read(file,'(a1024)',END=100) line
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enddo
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do ! read thru sections of phase part
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read(file,'(a1024)',END=100) line
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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 ! next section
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section = section + 1
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output = 0 ! reset output counter
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endif
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if (section > 0 .and. phase_constitution(section) == constitutive_nonlocal_label) then ! one of my sections
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i = phase_constitutionInstance(section) ! which instance of my constitution is present phase
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
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select case(tag)
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case ('(output)')
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output = output + 1
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constitutive_nonlocal_output(output,i) = IO_lc(IO_stringValue(line,positions,2))
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case ('lattice_structure')
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constitutive_nonlocal_structureName(i) = IO_lc(IO_stringValue(line,positions,2))
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case ('covera_ratio')
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constitutive_nonlocal_CoverA(i) = IO_floatValue(line,positions,2)
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case ('c11')
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constitutive_nonlocal_C11(i) = IO_floatValue(line,positions,2)
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case ('c12')
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constitutive_nonlocal_C12(i) = IO_floatValue(line,positions,2)
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case ('c13')
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constitutive_nonlocal_C13(i) = IO_floatValue(line,positions,2)
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case ('c33')
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constitutive_nonlocal_C33(i) = IO_floatValue(line,positions,2)
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case ('c44')
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constitutive_nonlocal_C44(i) = IO_floatValue(line,positions,2)
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case ('nslip')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_Nslip(f,i) = IO_intValue(line,positions,1+f)
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case ('rhosgledgepos0')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoSglEdgePos0(f,i) = IO_floatValue(line,positions,1+f)
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case ('rhosgledgeneg0')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoSglEdgeNeg0(f,i) = IO_floatValue(line,positions,1+f)
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case ('rhosglscrewpos0')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoSglScrewPos0(f,i) = IO_floatValue(line,positions,1+f)
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case ('rhosglscrewneg0')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoSglScrewNeg0(f,i) = IO_floatValue(line,positions,1+f)
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case ('rhodipedge0')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoDipEdge0(f,i) = IO_floatValue(line,positions,1+f)
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case ('rhodipscrew0')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoDipScrew0(f,i) = IO_floatValue(line,positions,1+f)
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case ('v0')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_v0PerSlipFamily(f,i) = IO_floatValue(line,positions,1+f)
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case ('lambda0')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_lambda0PerSlipFamily(f,i) = IO_floatValue(line,positions,1+f)
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case ('burgers')
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forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_burgersPerSlipFamily(f,i) = IO_floatValue(line,positions,1+f)
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case('ddipminedge')
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forall (f = 1:lattice_maxNslipFamily) &
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constitutive_nonlocal_dLowerEdgePerSlipFamily(f,i) = IO_floatValue(line,positions,1+f)
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case('ddipminscrew')
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forall (f = 1:lattice_maxNslipFamily) &
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constitutive_nonlocal_dLowerScrewPerSlipFamily(f,i) = IO_floatValue(line,positions,1+f)
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case('q0')
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constitutive_nonlocal_Q0(i) = IO_floatValue(line,positions,2)
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case('atomicvolume')
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constitutive_nonlocal_atomicVolume(i) = IO_floatValue(line,positions,2)
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case('d0')
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constitutive_nonlocal_D0(i) = IO_floatValue(line,positions,2)
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case('qsd')
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constitutive_nonlocal_Qsd(i) = IO_floatValue(line,positions,2)
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case('relevantrho')
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constitutive_nonlocal_relevantRho(i) = IO_floatValue(line,positions,2)
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case ('interaction_slipslip')
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forall (it = 1:lattice_maxNinteraction) constitutive_nonlocal_interactionSlipSlip(it,i) = IO_floatValue(line,positions,1+it)
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end select
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endif
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enddo
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100 do i = 1,maxNinstance
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constitutive_nonlocal_structure(i) = &
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lattice_initializeStructure(constitutive_nonlocal_structureName(i), constitutive_nonlocal_CoverA(i)) ! our lattice structure is defined in the material.config file by the structureName (and the c/a ratio)
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myStructure = constitutive_nonlocal_structure(i)
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!*** sanity checks
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if (myStructure < 1 .or. myStructure > 3) call IO_error(205)
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if (sum(constitutive_nonlocal_Nslip(:,i)) <= 0_pInt) call IO_error(225)
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do o = 1,maxval(phase_Noutput)
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if(len(constitutive_nonlocal_output(o,i)) > 64) call IO_error(666)
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enddo
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do f = 1,lattice_maxNslipFamily
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if (constitutive_nonlocal_Nslip(f,i) > 0_pInt) then
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if (constitutive_nonlocal_rhoSglEdgePos0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoSglEdgeNeg0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoSglScrewPos0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoSglScrewNeg0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoDipEdge0(f,i) < 0.0_pReal) call IO_error(220)
|
|
if (constitutive_nonlocal_rhoDipScrew0(f,i) < 0.0_pReal) call IO_error(220)
|
|
if (constitutive_nonlocal_burgersPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(221)
|
|
if (constitutive_nonlocal_v0PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(226)
|
|
if (constitutive_nonlocal_lambda0PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(227)
|
|
if (constitutive_nonlocal_dLowerEdgePerSlipFamily(f,i) <= 0.0_pReal) call IO_error(228)
|
|
if (constitutive_nonlocal_dLowerScrewPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(228)
|
|
endif
|
|
enddo
|
|
if (any(constitutive_nonlocal_interactionSlipSlip(1:maxval(lattice_interactionSlipSlip(:,:,myStructure)),i) < 0.0_pReal)) &
|
|
call IO_error(229)
|
|
if (constitutive_nonlocal_Q0(i) <= 0.0_pReal) call IO_error(-1)
|
|
if (constitutive_nonlocal_atomicVolume(i) <= 0.0_pReal) call IO_error(230)
|
|
if (constitutive_nonlocal_D0(i) <= 0.0_pReal) call IO_error(231)
|
|
if (constitutive_nonlocal_Qsd(i) <= 0.0_pReal) call IO_error(232)
|
|
if (constitutive_nonlocal_relevantRho(i) <= 0.0_pReal) call IO_error(233)
|
|
|
|
|
|
!*** determine total number of active slip systems
|
|
|
|
constitutive_nonlocal_Nslip(:,i) = min( lattice_NslipSystem(:, myStructure), constitutive_nonlocal_Nslip(:,i) ) ! we can't use more slip systems per family than specified in lattice
|
|
constitutive_nonlocal_totalNslip(i) = sum(constitutive_nonlocal_Nslip(:,i))
|
|
|
|
enddo
|
|
|
|
|
|
!*** allocation of variables whose size depends on the total number of active slip systems
|
|
|
|
maxTotalNslip = maxval(constitutive_nonlocal_totalNslip)
|
|
|
|
allocate(constitutive_nonlocal_burgersPerSlipSystem(maxTotalNslip, maxNinstance))
|
|
constitutive_nonlocal_burgersPerSlipSystem = 0.0_pReal
|
|
|
|
allocate(constitutive_nonlocal_v0PerSlipSystem(maxTotalNslip, maxNinstance))
|
|
constitutive_nonlocal_v0PerSlipSystem = 0.0_pReal
|
|
|
|
allocate(constitutive_nonlocal_lambda0PerSlipSystem(maxTotalNslip, maxNinstance))
|
|
constitutive_nonlocal_lambda0PerSlipSystem = 0.0_pReal
|
|
|
|
allocate(constitutive_nonlocal_dLowerEdgePerSlipSystem(maxTotalNslip, maxNinstance))
|
|
constitutive_nonlocal_dLowerEdgePerSlipSystem = 0.0_pReal
|
|
|
|
allocate(constitutive_nonlocal_dLowerScrewPerSlipSystem(maxTotalNslip, maxNinstance))
|
|
constitutive_nonlocal_dLowerScrewPerSlipSystem = 0.0_pReal
|
|
|
|
allocate(constitutive_nonlocal_forestProjectionEdge(maxTotalNslip, maxTotalNslip, maxNinstance))
|
|
constitutive_nonlocal_forestProjectionEdge = 0.0_pReal
|
|
|
|
allocate(constitutive_nonlocal_forestProjectionScrew(maxTotalNslip, maxTotalNslip, maxNinstance))
|
|
constitutive_nonlocal_forestProjectionScrew = 0.0_pReal
|
|
|
|
allocate(constitutive_nonlocal_interactionMatrixSlipSlip(maxTotalNslip, maxTotalNslip, maxNinstance))
|
|
constitutive_nonlocal_interactionMatrixSlipSlip = 0.0_pReal
|
|
|
|
allocate(constitutive_nonlocal_v(maxTotalNslip, 4, homogenization_maxNgrains, mesh_maxNips, mesh_NcpElems))
|
|
constitutive_nonlocal_v = 0.0_pReal
|
|
|
|
allocate(constitutive_nonlocal_rhoDotFlux(maxTotalNslip, 8, homogenization_maxNgrains, mesh_maxNips, mesh_NcpElems))
|
|
constitutive_nonlocal_rhoDotFlux = 0.0_pReal
|
|
|
|
do i = 1,maxNinstance
|
|
|
|
myStructure = constitutive_nonlocal_structure(i) ! lattice structure of this instance
|
|
|
|
!*** Inverse lookup of my slip system family and the slip system in lattice
|
|
|
|
l = 0_pInt
|
|
do f = 1,lattice_maxNslipFamily
|
|
do s = 1,constitutive_nonlocal_Nslip(f,i)
|
|
l = l + 1
|
|
constitutive_nonlocal_slipFamily(l,i) = f
|
|
constitutive_nonlocal_slipSystemLattice(l,i) = sum(lattice_NslipSystem(1:f-1, myStructure)) + s
|
|
enddo; enddo
|
|
|
|
|
|
!*** determine size of state array
|
|
|
|
ns = constitutive_nonlocal_totalNslip(i)
|
|
constitutive_nonlocal_sizeState(i) = size(constitutive_nonlocal_listBasicStates) * ns &
|
|
+ ( size(constitutive_nonlocal_listDependentStates) - 1_pInt ) * ns + 6_pInt
|
|
constitutive_nonlocal_sizeDotState(i) = size(constitutive_nonlocal_listBasicStates) * ns
|
|
|
|
|
|
!*** determine size of postResults array
|
|
|
|
do o = 1,maxval(phase_Noutput)
|
|
select case(constitutive_nonlocal_output(o,i))
|
|
case( 'rho', &
|
|
'delta', &
|
|
'rho_edge', &
|
|
'rho_screw', &
|
|
'rho_sgl', &
|
|
'delta_sgl', &
|
|
'rho_sgl_edge', &
|
|
'rho_sgl_edge_pos', &
|
|
'rho_sgl_edge_neg', &
|
|
'rho_sgl_screw', &
|
|
'rho_sgl_screw_pos', &
|
|
'rho_sgl_screw_neg', &
|
|
'rho_sgl_mobile', &
|
|
'rho_sgl_edge_mobile', &
|
|
'rho_sgl_edge_pos_mobile', &
|
|
'rho_sgl_edge_neg_mobile', &
|
|
'rho_sgl_screw_mobile', &
|
|
'rho_sgl_screw_pos_mobile', &
|
|
'rho_sgl_screw_neg_mobile', &
|
|
'rho_sgl_immobile', &
|
|
'rho_sgl_edge_immobile', &
|
|
'rho_sgl_edge_pos_immobile', &
|
|
'rho_sgl_edge_neg_immobile', &
|
|
'rho_sgl_screw_immobile', &
|
|
'rho_sgl_screw_pos_immobile', &
|
|
'rho_sgl_screw_neg_immobile', &
|
|
'rho_dip', &
|
|
'delta_dip', &
|
|
'rho_dip_edge', &
|
|
'rho_dip_screw', &
|
|
'excess_rho', &
|
|
'excess_rho_edge', &
|
|
'excess_rho_screw', &
|
|
'rho_forest', &
|
|
'shearrate', &
|
|
'resolvedstress', &
|
|
'resolvedstress_internal', &
|
|
'resolvedstress_external', &
|
|
'resistance', &
|
|
'rho_dot', &
|
|
'rho_dot_sgl', &
|
|
'rho_dot_dip', &
|
|
'rho_dot_gen', &
|
|
'rho_dot_gen_edge', &
|
|
'rho_dot_gen_screw', &
|
|
'rho_dot_sgl2dip', &
|
|
'rho_dot_dip2sgl', &
|
|
'rho_dot_ann_ath', &
|
|
'rho_dot_ann_the', &
|
|
'rho_dot_flux', &
|
|
'rho_dot_flux_edge', &
|
|
'rho_dot_flux_screw', &
|
|
'dislocationvelocity', &
|
|
'fluxdensity_edge_pos_x', &
|
|
'fluxdensity_edge_pos_y', &
|
|
'fluxdensity_edge_pos_z', &
|
|
'fluxdensity_edge_neg_x', &
|
|
'fluxdensity_edge_neg_y', &
|
|
'fluxdensity_edge_neg_z', &
|
|
'fluxdensity_screw_pos_x', &
|
|
'fluxdensity_screw_pos_y', &
|
|
'fluxdensity_screw_pos_z', &
|
|
'fluxdensity_screw_neg_x', &
|
|
'fluxdensity_screw_neg_y', &
|
|
'fluxdensity_screw_neg_z', &
|
|
'd_upper_edge', &
|
|
'd_upper_screw', &
|
|
'd_upper_dot_edge', &
|
|
'd_upper_dot_screw' )
|
|
mySize = constitutive_nonlocal_totalNslip(i)
|
|
case default
|
|
mySize = 0_pInt
|
|
end select
|
|
|
|
if (mySize > 0_pInt) then ! any meaningful output found
|
|
constitutive_nonlocal_sizePostResult(o,i) = mySize
|
|
constitutive_nonlocal_sizePostResults(i) = constitutive_nonlocal_sizePostResults(i) + mySize
|
|
endif
|
|
enddo
|
|
|
|
|
|
!*** elasticity matrix and shear modulus according to material.config
|
|
|
|
select case (myStructure)
|
|
case(1:2) ! cubic(s)
|
|
forall(k=1:3)
|
|
forall(j=1:3) constitutive_nonlocal_Cslip_66(k,j,i) = constitutive_nonlocal_C12(i)
|
|
constitutive_nonlocal_Cslip_66(k,k,i) = constitutive_nonlocal_C11(i)
|
|
constitutive_nonlocal_Cslip_66(k+3,k+3,i) = constitutive_nonlocal_C44(i)
|
|
end forall
|
|
case(3:) ! all hex
|
|
constitutive_nonlocal_Cslip_66(1,1,i) = constitutive_nonlocal_C11(i)
|
|
constitutive_nonlocal_Cslip_66(2,2,i) = constitutive_nonlocal_C11(i)
|
|
constitutive_nonlocal_Cslip_66(3,3,i) = constitutive_nonlocal_C33(i)
|
|
constitutive_nonlocal_Cslip_66(1,2,i) = constitutive_nonlocal_C12(i)
|
|
constitutive_nonlocal_Cslip_66(2,1,i) = constitutive_nonlocal_C12(i)
|
|
constitutive_nonlocal_Cslip_66(1,3,i) = constitutive_nonlocal_C13(i)
|
|
constitutive_nonlocal_Cslip_66(3,1,i) = constitutive_nonlocal_C13(i)
|
|
constitutive_nonlocal_Cslip_66(2,3,i) = constitutive_nonlocal_C13(i)
|
|
constitutive_nonlocal_Cslip_66(3,2,i) = constitutive_nonlocal_C13(i)
|
|
constitutive_nonlocal_Cslip_66(4,4,i) = constitutive_nonlocal_C44(i)
|
|
constitutive_nonlocal_Cslip_66(5,5,i) = constitutive_nonlocal_C44(i)
|
|
constitutive_nonlocal_Cslip_66(6,6,i) = 0.5_pReal*(constitutive_nonlocal_C11(i)- constitutive_nonlocal_C12(i))
|
|
end select
|
|
constitutive_nonlocal_Cslip_66(:,:,i) = math_Mandel3333to66(math_Voigt66to3333(constitutive_nonlocal_Cslip_66(:,:,i)))
|
|
constitutive_nonlocal_Cslip_3333(:,:,:,:,i) = math_Voigt66to3333(constitutive_nonlocal_Cslip_66(:,:,i))
|
|
|
|
constitutive_nonlocal_Gmod(i) = constitutive_nonlocal_C44(i)
|
|
constitutive_nonlocal_nu(i) = 0.5_pReal * constitutive_nonlocal_C12(i) &
|
|
/ (constitutive_nonlocal_C12(i) + constitutive_nonlocal_C44(i))
|
|
|
|
|
|
do s1 = 1,ns
|
|
|
|
f = constitutive_nonlocal_slipFamily(s1,i)
|
|
|
|
!*** burgers vector, dislocation velocity prefactor, mean free path prefactor and minimum dipole distance for each slip system
|
|
|
|
constitutive_nonlocal_burgersPerSlipSystem(s1,i) = constitutive_nonlocal_burgersPerSlipFamily(f,i)
|
|
constitutive_nonlocal_v0PerSlipSystem(s1,i) = constitutive_nonlocal_v0PerSlipFamily(f,i)
|
|
constitutive_nonlocal_lambda0PerSlipSystem(s1,i) = constitutive_nonlocal_lambda0PerSlipFamily(f,i)
|
|
constitutive_nonlocal_dLowerEdgePerSlipSystem(s1,i) = constitutive_nonlocal_dLowerEdgePerSlipFamily(f,i)
|
|
constitutive_nonlocal_dLowerScrewPerSlipSystem(s1,i) = constitutive_nonlocal_dLowerScrewPerSlipFamily(f,i)
|
|
|
|
do s2 = 1,ns
|
|
|
|
!*** calculation of forest projections for edge and screw dislocations. s2 acts as forest to s1
|
|
|
|
constitutive_nonlocal_forestProjectionEdge(s1, s2, i) &
|
|
= abs(math_mul3x3(lattice_sn(:, constitutive_nonlocal_slipSystemLattice(s1,i), myStructure), &
|
|
lattice_st(:, constitutive_nonlocal_slipSystemLattice(s2,i), myStructure))) ! forest projection of edge dislocations is the projection of (t = b x n) onto the slip normal of the respective slip plane
|
|
|
|
constitutive_nonlocal_forestProjectionScrew(s1, s2, i) &
|
|
= abs(math_mul3x3(lattice_sn(:, constitutive_nonlocal_slipSystemLattice(s1,i), myStructure), &
|
|
lattice_sd(:, constitutive_nonlocal_slipSystemLattice(s2,i), myStructure))) ! forest projection of screw dislocations is the projection of b onto the slip normal of the respective splip plane
|
|
|
|
!*** calculation of interaction matrices
|
|
|
|
constitutive_nonlocal_interactionMatrixSlipSlip(s1, s2, i) &
|
|
= constitutive_nonlocal_interactionSlipSlip( lattice_interactionSlipSlip(constitutive_nonlocal_slipSystemLattice(s1,i), &
|
|
constitutive_nonlocal_slipSystemLattice(s2,i), &
|
|
myStructure), &
|
|
i )
|
|
|
|
enddo; enddo
|
|
|
|
enddo
|
|
|
|
endsubroutine
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* initial microstructural state (just the "basic" states) *
|
|
!*********************************************************************
|
|
pure function constitutive_nonlocal_stateInit(myInstance)
|
|
|
|
use prec, only: pReal, &
|
|
pInt
|
|
use lattice, only: lattice_maxNslipFamily
|
|
implicit none
|
|
|
|
!*** input variables
|
|
integer(pInt), intent(in) :: myInstance ! number specifying the current instance of the constitution
|
|
|
|
!*** output variables
|
|
real(pReal), dimension(constitutive_nonlocal_sizeState(myInstance)) :: &
|
|
constitutive_nonlocal_stateInit
|
|
|
|
!*** local variables
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(myInstance)) :: &
|
|
rhoSglEdgePos, & ! positive edge dislocation density
|
|
rhoSglEdgeNeg, & ! negative edge dislocation density
|
|
rhoSglScrewPos, & ! positive screw dislocation density
|
|
rhoSglScrewNeg, & ! negative screw dislocation density
|
|
rhoSglEdgePosUsed, & ! used positive edge dislocation density
|
|
rhoSglEdgeNegUsed, & ! used negative edge dislocation density
|
|
rhoSglScrewPosUsed, & ! used positive screw dislocation density
|
|
rhoSglScrewNegUsed, & ! used negative screw dislocation density
|
|
rhoDipEdge, & ! edge dipole dislocation density
|
|
rhoDipScrew, & ! screw dipole dislocation density
|
|
rhoForest, & ! forest dislocation density
|
|
tauSlipThreshold ! threshold shear stress for slip
|
|
integer(pInt) ns, & ! short notation for total number of active slip systems
|
|
f, & ! index of lattice family
|
|
from, &
|
|
upto, &
|
|
s ! index of slip system
|
|
|
|
|
|
constitutive_nonlocal_stateInit = 0.0_pReal
|
|
ns = constitutive_nonlocal_totalNslip(myInstance)
|
|
|
|
!*** set the basic state variables
|
|
|
|
do f = 1,lattice_maxNslipFamily
|
|
from = 1+sum(constitutive_nonlocal_Nslip(1:f-1,myInstance))
|
|
upto = sum(constitutive_nonlocal_Nslip(1:f,myInstance))
|
|
rhoSglEdgePos(from:upto) = constitutive_nonlocal_rhoSglEdgePos0(f, myInstance)
|
|
rhoSglEdgeNeg(from:upto) = constitutive_nonlocal_rhoSglEdgeNeg0(f, myInstance)
|
|
rhoSglScrewPos(from:upto) = constitutive_nonlocal_rhoSglScrewPos0(f, myInstance)
|
|
rhoSglScrewNeg(from:upto) = constitutive_nonlocal_rhoSglScrewNeg0(f, myInstance)
|
|
rhoSglEdgePosUsed(from:upto) = 0.0_pReal
|
|
rhoSglEdgeNegUsed(from:upto) = 0.0_pReal
|
|
rhoSglScrewPosUsed(from:upto) = 0.0_pReal
|
|
rhoSglScrewNegUsed(from:upto) = 0.0_pReal
|
|
rhoDipEdge(from:upto) = constitutive_nonlocal_rhoDipEdge0(f, myInstance)
|
|
rhoDipScrew(from:upto) = constitutive_nonlocal_rhoDipScrew0(f, myInstance)
|
|
enddo
|
|
|
|
|
|
!*** put everything together and in right order
|
|
|
|
constitutive_nonlocal_stateInit( 1: ns) = rhoSglEdgePos
|
|
constitutive_nonlocal_stateInit( ns+1: 2*ns) = rhoSglEdgeNeg
|
|
constitutive_nonlocal_stateInit( 2*ns+1: 3*ns) = rhoSglScrewPos
|
|
constitutive_nonlocal_stateInit( 3*ns+1: 4*ns) = rhoSglScrewNeg
|
|
constitutive_nonlocal_stateInit( 4*ns+1: 5*ns) = rhoSglEdgePosUsed
|
|
constitutive_nonlocal_stateInit( 5*ns+1: 6*ns) = rhoSglEdgeNegUsed
|
|
constitutive_nonlocal_stateInit( 6*ns+1: 7*ns) = rhoSglScrewPosUsed
|
|
constitutive_nonlocal_stateInit( 7*ns+1: 8*ns) = rhoSglScrewNegUsed
|
|
constitutive_nonlocal_stateInit( 8*ns+1: 9*ns) = rhoDipEdge
|
|
constitutive_nonlocal_stateInit( 9*ns+1:10*ns) = rhoDipScrew
|
|
|
|
endfunction
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* relevant microstructural state *
|
|
!*********************************************************************
|
|
pure function constitutive_nonlocal_relevantState(myInstance)
|
|
|
|
use prec, only: pReal, &
|
|
pInt
|
|
implicit none
|
|
|
|
!*** input variables
|
|
integer(pInt), intent(in) :: myInstance ! number specifying the current instance of the constitution
|
|
|
|
!*** output variables
|
|
real(pReal), dimension(constitutive_nonlocal_sizeState(myInstance)) :: &
|
|
constitutive_nonlocal_relevantState ! relevant state values for the current instance of this constitution
|
|
|
|
!*** local variables
|
|
|
|
constitutive_nonlocal_relevantState = constitutive_nonlocal_relevantRho(myInstance)
|
|
|
|
endfunction
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* calculates homogenized elacticity matrix *
|
|
!*********************************************************************
|
|
pure function constitutive_nonlocal_homogenizedC(state,g,ip,el)
|
|
|
|
use prec, only: pReal, &
|
|
pInt, &
|
|
p_vec
|
|
use mesh, only: mesh_NcpElems, &
|
|
mesh_maxNips
|
|
use material, only: homogenization_maxNgrains, &
|
|
material_phase, &
|
|
phase_constitutionInstance
|
|
implicit none
|
|
|
|
!*** input variables
|
|
integer(pInt), intent(in) :: g, & ! current grain ID
|
|
ip, & ! current integration point
|
|
el ! current element
|
|
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: state ! microstructural state
|
|
|
|
!*** output variables
|
|
real(pReal), dimension(6,6) :: constitutive_nonlocal_homogenizedC ! homogenized elasticity matrix
|
|
|
|
!*** local variables
|
|
integer(pInt) myInstance ! current instance of this constitution
|
|
|
|
myInstance = phase_constitutionInstance(material_phase(g,ip,el))
|
|
|
|
constitutive_nonlocal_homogenizedC = constitutive_nonlocal_Cslip_66(:,:,myInstance)
|
|
|
|
endfunction
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* calculates quantities characterizing the microstructure *
|
|
!*********************************************************************
|
|
subroutine constitutive_nonlocal_microstructure(state, Temperature, Tstar_v, Fe, Fp, g, ip, el)
|
|
|
|
use prec, only: pReal, &
|
|
pInt, &
|
|
p_vec
|
|
use math, only: math_Plain3333to99, &
|
|
math_Mandel33to6, &
|
|
math_Mandel6to33, &
|
|
math_mul33x33, &
|
|
math_mul3x3, &
|
|
math_mul33x3, &
|
|
math_inv3x3, &
|
|
math_det3x3, &
|
|
pi
|
|
use debug, only: debugger, &
|
|
verboseDebugger, &
|
|
selectiveDebugger
|
|
use mesh, only: mesh_NcpElems, &
|
|
mesh_maxNips, &
|
|
mesh_element, &
|
|
FE_NipNeighbors, &
|
|
mesh_ipNeighborhood, &
|
|
mesh_ipVolume, &
|
|
mesh_ipCenterOfGravity
|
|
use material, only: homogenization_maxNgrains, &
|
|
material_phase, &
|
|
phase_constitutionInstance
|
|
use lattice, only: lattice_Sslip, &
|
|
lattice_Sslip_v, &
|
|
lattice_maxNslipFamily, &
|
|
lattice_NslipSystem, &
|
|
lattice_maxNslip, &
|
|
lattice_sd, &
|
|
lattice_sn, &
|
|
lattice_st
|
|
|
|
implicit none
|
|
|
|
!*** input variables
|
|
integer(pInt), intent(in) :: g, & ! current grain ID
|
|
ip, & ! current integration point
|
|
el ! current element
|
|
real(pReal), intent(in) :: Temperature ! temperature
|
|
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
|
Fe, & ! elastic deformation gradient
|
|
Fp ! plastic deformation gradient
|
|
real(pReal), dimension(6), intent(in) :: &
|
|
Tstar_v ! 2nd Piola-Kirchhoff stress in Mandel notation
|
|
|
|
|
|
!*** input/output variables
|
|
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(inout) :: &
|
|
state ! microstructural state
|
|
|
|
!*** output variables
|
|
|
|
!*** local variables
|
|
integer(pInt) myInstance, & ! current instance of this constitution
|
|
myStructure, & ! current lattice structure
|
|
ns, & ! short notation for the total number of active slip systems
|
|
neighboring_el, & ! element number of my neighbor
|
|
neighboring_ip, & ! integration point of my neighbor
|
|
c, & ! index of dilsocation character (edge, screw)
|
|
n, & ! index of my current neighbor
|
|
opposite_n, & ! index of my opposite neighbor
|
|
opposite_ip, & ! ip of my opposite neighbor
|
|
opposite_el, & ! element index of my opposite neighbor
|
|
s, & ! index of my current slip system
|
|
t, & ! index of dilsocation type (e+, e-, s+, s-, used e+, used e-, used s+, used s-)
|
|
sLattice ! index of my current slip system according to lattice order
|
|
real(pReal) gb, & ! short notation for G*b/2/pi
|
|
x, & ! coordinate in direction of lvec
|
|
y, & ! coordinate in direction of bvec
|
|
z, & ! coordinate in direction of nvec
|
|
detFe, & ! determinant of elastic deformation gradient
|
|
neighboring_detFe ! determinant of my neighboring elastic deformation gradient
|
|
real(pReal), dimension(3,6) :: connectingVector ! vector connecting the centers of gravity of me and my neigbor (for each neighbor)
|
|
real(pReal), dimension(6) :: Tdislocation_v ! dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress in Mandel notation
|
|
real(pReal), dimension(3,3) :: lattice2slip, & ! orthogonal transformation matrix from lattice coordinate system to slip coordinate system with e1=bxn, e2=b, e3=n
|
|
neighboringSlip2myLattice, &! mapping from my neighbors slip coordinate system to my lattice coordinate system
|
|
sigma, & ! Tdislocation resulting from the excess dislocation density of a single slip system and a single neighbor calculated in the coordinate system of the slip system
|
|
F, & ! total deformation gradient
|
|
neighboring_F, & ! total deformation gradient of my neighbor
|
|
Favg, & ! average total deformation gradient of me and my neighbor
|
|
invFe, & ! inverse of elastic deformation gradient
|
|
neighboring_invFe ! inverse of my neighboring elastic deformation gradient
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: &
|
|
rhoSgl, & ! single dislocation density (edge+, edge-, screw+, screw-, used edge+, used edge-, used screw+, used screw-)
|
|
neighboring_rhoSgl ! single dislocation density of my neighbor (edge+, edge-, screw+, screw-, used edge+, used edge-, used screw+, used screw-)
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: &
|
|
rhoDip ! dipole dislocation density (edge, screw)
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
|
|
rhoForest, & ! forest dislocation density
|
|
tauThreshold, & ! threshold shear stress
|
|
tau, & ! resolved shear stress
|
|
neighboring_rhoEdgeExcess, &! edge excess dislocation density of my neighbor
|
|
neighboring_rhoScrewExcess,&! screw excess dislocation density of my neighbor
|
|
neighboring_Nedge, & ! total number of edge excess dislocations in my neighbor
|
|
neighboring_Nscrew ! total number of screw excess dislocations in my neighbor
|
|
|
|
|
|
myInstance = phase_constitutionInstance(material_phase(g,ip,el))
|
|
myStructure = constitutive_nonlocal_structure(myInstance)
|
|
ns = constitutive_nonlocal_totalNslip(myInstance)
|
|
|
|
|
|
!**********************************************************************
|
|
!*** get basic states
|
|
|
|
forall (t = 1:8) rhoSgl(:,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
|
|
forall (c = 1:2) rhoDip(:,c) = state(g,ip,el)%p((c+7)*ns+1:(c+8)*ns)
|
|
|
|
|
|
!**********************************************************************
|
|
!*** calculate dependent states
|
|
|
|
!*** calculate the forest dislocation density
|
|
|
|
forall (s = 1:ns) &
|
|
rhoForest(s) = dot_product( ( sum(abs(rhoSgl(:,(/1,2,5,6/))),2) + rhoDip(:,1) ), &
|
|
constitutive_nonlocal_forestProjectionEdge(s, 1:ns, myInstance) ) &
|
|
+ dot_product( ( sum(abs(rhoSgl(:,(/3,4,7,8/))),2) + rhoDip(:,2) ), &
|
|
constitutive_nonlocal_forestProjectionScrew(s, 1:ns, myInstance) ) ! calculation of forest dislocation density as projection of screw and edge dislocations
|
|
! if (debugger) write(6,'(a30,3(i3,x),/,12(e10.3,x),/)') 'forest dislocation density at ',g,ip,el, rhoForest
|
|
|
|
|
|
!*** calculate the threshold shear stress for dislocation slip
|
|
|
|
forall (s = 1:ns) &
|
|
tauThreshold(s) = constitutive_nonlocal_Gmod(myInstance) &
|
|
* constitutive_nonlocal_burgersPerSlipSystem(s, myInstance) &
|
|
* sqrt( dot_product( ( sum(abs(rhoSgl),2) + sum(abs(rhoDip),2) ), &
|
|
constitutive_nonlocal_interactionMatrixSlipSlip(s, 1:ns, myInstance) ) )
|
|
! if (debugger) write(6,'(a26,3(i3,x),/,12(f10.5,x),/)') 'tauSlipThreshold / MPa at ',g,ip,el, tauSlipThreshold/1e6
|
|
|
|
|
|
!*** calculate the dislocation stress of the neighboring excess dislocation densities
|
|
|
|
Tdislocation_v = 0.0_pReal
|
|
connectingVector = 0.0_pReal
|
|
F = math_mul33x33(Fe(:,:,g,ip,el), Fp(:,:,g,ip,el))
|
|
detFe = math_det3x3(Fe)
|
|
invFe = math_inv3x3(Fe)
|
|
|
|
do n = 1,FE_NipNeighbors(mesh_element(2,el))
|
|
|
|
neighboring_el = mesh_ipNeighborhood(1,n,ip,el)
|
|
neighboring_ip = mesh_ipNeighborhood(2,n,ip,el)
|
|
if ( neighboring_ip == 0 ) &
|
|
cycle
|
|
|
|
neighboring_F = math_mul33x33(Fe(:,:,g,neighboring_ip,neighboring_el), Fp(:,:,g,neighboring_ip,neighboring_el))
|
|
Favg = 0.5_pReal * (F + neighboring_F)
|
|
neighboring_detFe = math_det3x3(Fe(:,:,g,neighboring_ip,neighboring_el))
|
|
neighboring_invFe = math_inv3x3(Fe(:,:,g,neighboring_ip,neighboring_el))
|
|
|
|
connectingVector(:,n) = math_mul33x3(neighboring_invFe, math_mul33x3(Favg, &
|
|
(mesh_ipCenterOfGravity(:,neighboring_ip,neighboring_el) - mesh_ipCenterOfGravity(:,ip,el)) ) ) ! calculate connection vector between me and my neighbor in its lattice configuration
|
|
|
|
opposite_n = n - 1_pInt + 2_pInt*mod(n,2_pInt)
|
|
opposite_el = mesh_ipNeighborhood(1,opposite_n,ip,el)
|
|
opposite_ip = mesh_ipNeighborhood(2,opposite_n,ip,el)
|
|
if ( opposite_ip == 0 ) & ! if no opposite neighbor present...
|
|
connectingVector(:,opposite_n) = -connectingVector(:,n) ! ... assume "ghost" IP at mirrored position of this neighbor
|
|
|
|
enddo
|
|
|
|
|
|
do n = 1,FE_NipNeighbors(mesh_element(2,el)) ! loop through my neighbors
|
|
|
|
neighboring_el = mesh_ipNeighborhood(1,n,ip,el)
|
|
neighboring_ip = mesh_ipNeighborhood(2,n,ip,el)
|
|
|
|
if ( neighboring_ip == 0 ) then ! if no neighbor present...
|
|
opposite_n = n - 1_pInt + 2_pInt*mod(n,2_pInt)
|
|
opposite_el = mesh_ipNeighborhood(1,opposite_n,ip,el)
|
|
opposite_ip = mesh_ipNeighborhood(2,opposite_n,ip,el)
|
|
if ( opposite_ip == 0 ) & ! if both neighbors not present...
|
|
cycle
|
|
neighboring_el = opposite_el ! ... skip this element
|
|
neighboring_ip = opposite_ip
|
|
forall (t = 1:8, s = 1:ns) &
|
|
neighboring_rhoSgl(s,t) = max(0.0_pReal, &
|
|
2.0_pReal * state(g,ip,el)%p((t-1)*ns+s) - state(g,opposite_ip,opposite_el)%p((t-1)*ns+s) ) ! ... extrapolate density from opposite neighbor (but assure positive value for density)
|
|
else
|
|
forall (t = 1:8) neighboring_rhoSgl(:,t) = state(g,neighboring_ip,neighboring_el)%p((t-1)*ns+1:t*ns)
|
|
endif
|
|
|
|
neighboring_rhoEdgeExcess = sum(abs(neighboring_rhoSgl(:,(/1,5/))),2) - sum(abs(neighboring_rhoSgl(:,(/2,6/))),2)
|
|
neighboring_rhoScrewExcess = sum(abs(neighboring_rhoSgl(:,(/3,7/))),2) - sum(abs(neighboring_rhoSgl(:,(/4,8/))),2)
|
|
|
|
neighboring_Nedge = neighboring_rhoEdgeExcess * mesh_ipVolume(neighboring_ip,neighboring_el) ** (2.0_pReal/3.0_pReal)
|
|
neighboring_Nscrew = neighboring_rhoScrewExcess * mesh_ipVolume(neighboring_ip,neighboring_el) ** (2.0_pReal/3.0_pReal)
|
|
|
|
do s = 1,ns
|
|
|
|
lattice2slip = transpose( reshape( (/ lattice_st(:, constitutive_nonlocal_slipSystemLattice(s,myInstance), myStructure), &
|
|
lattice_sd(:, constitutive_nonlocal_slipSystemLattice(s,myInstance), myStructure), &
|
|
lattice_sn(:, constitutive_nonlocal_slipSystemLattice(s,myInstance), myStructure) /), &
|
|
(/ 3,3 /) ) )
|
|
|
|
x = math_mul3x3(lattice2slip(1,:), -connectingVector(:,n)) ! coordinate transformation of connecting vector from the lattice coordinate system to the slip coordinate system
|
|
y = math_mul3x3(lattice2slip(2,:), -connectingVector(:,n))
|
|
z = math_mul3x3(lattice2slip(3,:), -connectingVector(:,n))
|
|
|
|
gb = constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) / (2.0_pReal*pi)
|
|
|
|
sigma(2,2) = - gb * neighboring_Nedge(s) / (1.0_pReal-constitutive_nonlocal_nu(myInstance)) &
|
|
* z * (3.0_pReal*y**2.0_pReal + z**2.0_pReal) / (y**2.0_pReal + z**2.0_pReal)**2.0_pReal
|
|
|
|
sigma(3,3) = gb * neighboring_Nedge(s) / (1.0_pReal-constitutive_nonlocal_nu(myInstance)) &
|
|
* z * (y**2.0_pReal - z**2.0_pReal) / (y**2.0_pReal + z**2.0_pReal)**2.0_pReal
|
|
|
|
sigma(1,1) = constitutive_nonlocal_nu(myInstance) * (sigma(2,2) + sigma(3,3))
|
|
|
|
sigma(1,2) = - gb * neighboring_Nscrew(s) * z / (x**2.0_pReal + z**2.0_pReal)
|
|
|
|
sigma(2,3) = gb * ( neighboring_Nedge(s) / (1.0_pReal-constitutive_nonlocal_nu(myInstance)) &
|
|
* y * (y**2.0_pReal - z**2.0_pReal) / (y**2.0_pReal + z**2.0_pReal)**2.0_pReal &
|
|
+ neighboring_Nscrew(s) * x / (x**2.0_pReal + z**2.0_pReal) )
|
|
|
|
sigma(2,1) = sigma(1,2)
|
|
sigma(3,2) = sigma(2,3)
|
|
sigma(1,3) = 0.0_pReal
|
|
sigma(3,1) = 0.0_pReal
|
|
|
|
neighboringSlip2myLattice = math_mul33x33(invFe,math_mul33x33(Fe(:,:,g,neighboring_ip,neighboring_el),transpose(lattice2slip))) ! coordinate transformation from the slip coordinate system to the lattice coordinate system
|
|
Tdislocation_v = Tdislocation_v + math_Mandel33to6( detFe / math_det3x3(Fe(:,:,g,neighboring_ip,neighboring_el)) &
|
|
* math_mul33x33(neighboringSlip2myLattice, math_mul33x33(sigma, transpose(neighboringSlip2myLattice))) )
|
|
enddo
|
|
enddo
|
|
|
|
!**********************************************************************
|
|
!*** set dependent states
|
|
|
|
state(g,ip,el)%p(10*ns+1:11*ns) = rhoForest
|
|
state(g,ip,el)%p(11*ns+1:12*ns) = tauThreshold
|
|
state(g,ip,el)%p(12*ns+1:12*ns+6) = Tdislocation_v
|
|
|
|
|
|
!**********************************************************************
|
|
!*** calculate the dislocation velocity
|
|
|
|
call constitutive_nonlocal_kinetics(Tstar_v, Temperature, state, g, ip, el)
|
|
|
|
endsubroutine
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* calculates kinetics *
|
|
!*********************************************************************
|
|
subroutine constitutive_nonlocal_kinetics(Tstar_v, Temperature, state, g, ip, el)
|
|
|
|
use prec, only: pReal, &
|
|
pInt, &
|
|
p_vec
|
|
use math, only: math_mul6x6, &
|
|
math_Mandel6to33
|
|
use debug, only: debugger, &
|
|
selectiveDebugger, &
|
|
verboseDebugger
|
|
use mesh, only: mesh_NcpElems, &
|
|
mesh_maxNips
|
|
use material, only: homogenization_maxNgrains, &
|
|
material_phase, &
|
|
phase_constitutionInstance
|
|
use lattice, only: lattice_Sslip, &
|
|
lattice_Sslip_v
|
|
|
|
implicit none
|
|
|
|
!*** input variables
|
|
integer(pInt), intent(in) :: g, & ! current grain number
|
|
ip, & ! current integration point
|
|
el ! current element number
|
|
real(pReal), intent(in) :: Temperature ! temperature
|
|
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
|
state ! microstructural state
|
|
real(pReal), dimension(6), intent(in) :: Tstar_v ! 2nd Piola-Kirchhoff stress in Mandel notation
|
|
|
|
!*** output variables
|
|
|
|
!*** local variables
|
|
integer(pInt) myInstance, & ! current instance of this constitution
|
|
myStructure, & ! current lattice structure
|
|
ns, & ! short notation for the total number of active slip systems
|
|
t, & ! dislocation type
|
|
s ! index of my current slip system
|
|
real(pReal), dimension(6) :: Tdislocation_v ! dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
|
|
tauThreshold, & ! threshold shear stress
|
|
tau ! resolved shear stress
|
|
|
|
|
|
myInstance = phase_constitutionInstance(material_phase(g,ip,el))
|
|
myStructure = constitutive_nonlocal_structure(myInstance)
|
|
ns = constitutive_nonlocal_totalNslip(myInstance)
|
|
|
|
tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns)
|
|
Tdislocation_v = state(g,ip,el)%p(12*ns+1:12*ns+6)
|
|
|
|
tau = 0.0_pReal
|
|
constitutive_nonlocal_v(:,:,g,ip,el) = 0.0_pReal
|
|
|
|
do s = 1,ns
|
|
if ((tauThreshold(s) > 0.0_pReal) .and. (Temperature > 0.0_pReal)) then
|
|
|
|
tau(s) = math_mul6x6( Tstar_v + Tdislocation_v, &
|
|
lattice_Sslip_v(:,constitutive_nonlocal_slipSystemLattice(s,myInstance),myStructure) )
|
|
|
|
constitutive_nonlocal_v(s,:,g,ip,el) = constitutive_nonlocal_v0PerSlipSystem(s,myInstance) &
|
|
* exp( - constitutive_nonlocal_Q0(myInstance) / ( kB * Temperature) * (1.0_pReal - (abs(tau(s))/tauThreshold(s)) ) ) &
|
|
* sign(1.0_pReal,tau(s))
|
|
|
|
endif
|
|
enddo
|
|
|
|
if (verboseDebugger .and. selectiveDebugger) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*) '::: kinetics',g,ip,el
|
|
write(6,*)
|
|
! write(6,'(a,/,3(3(f12.3,x)/))') 'Tdislocation / MPa', math_Mandel6to33(Tdislocation_v/1e6)
|
|
! write(6,'(a,/,3(3(f12.3,x)/))') 'Tstar / MPa', math_Mandel6to33(Tstar_v/1e6)
|
|
write(6,'(a,/,12(f12.5,x),/)') 'tau / MPa', tau/1e6_pReal
|
|
write(6,'(a,/,12(f12.5,x),/)') 'tauThreshold / MPa', tauThreshold/1e6_pReal
|
|
write(6,'(a,/,4(12(f12.5,x),/))') 'v / 1e-3m/s', constitutive_nonlocal_v(:,:,g,ip,el)*1e3
|
|
!$OMPEND CRITICAL (write2out)
|
|
endif
|
|
|
|
endsubroutine
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* calculates plastic velocity gradient and its tangent *
|
|
!*********************************************************************
|
|
subroutine constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar99, Tstar_v, Temperature, state, g, ip, el)
|
|
|
|
use prec, only: pReal, &
|
|
pInt, &
|
|
p_vec
|
|
use math, only: math_Plain3333to99, &
|
|
math_mul6x6, &
|
|
math_Mandel6to33
|
|
use debug, only: debugger, &
|
|
selectiveDebugger, &
|
|
verboseDebugger
|
|
use mesh, only: mesh_NcpElems, &
|
|
mesh_maxNips
|
|
use material, only: homogenization_maxNgrains, &
|
|
material_phase, &
|
|
phase_constitutionInstance
|
|
use lattice, only: lattice_Sslip, &
|
|
lattice_Sslip_v
|
|
|
|
implicit none
|
|
|
|
!*** input variables
|
|
integer(pInt), intent(in) :: g, & ! current grain number
|
|
ip, & ! current integration point
|
|
el ! current element number
|
|
real(pReal), intent(in) :: Temperature ! temperature
|
|
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
|
state ! microstructural state
|
|
real(pReal), dimension(6), intent(in) :: Tstar_v ! 2nd Piola-Kirchhoff stress in Mandel notation
|
|
|
|
!*** output variables
|
|
real(pReal), dimension(3,3), intent(out) :: Lp ! plastic velocity gradient
|
|
real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 ! derivative of Lp with respect to Tstar (9x9 matrix)
|
|
|
|
!*** local variables
|
|
integer(pInt) myInstance, & ! current instance of this constitution
|
|
myStructure, & ! current lattice structure
|
|
ns, & ! short notation for the total number of active slip systems
|
|
i, &
|
|
j, &
|
|
k, &
|
|
l, &
|
|
t, & ! dislocation type
|
|
s, & ! index of my current slip system
|
|
sLattice ! index of my current slip system according to lattice order
|
|
real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 ! derivative of Lp with respect to Tstar (3x3x3x3 matrix)
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: &
|
|
rhoSgl ! single dislocation densities (including used)
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
|
|
gdot ! shear rate per dislocation type
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
|
|
tauThreshold, & ! threshold shear stress
|
|
gdotTotal, & ! shear rate
|
|
dgdotTotal_dtau ! derivative of the shear rate with respect to the shear stress
|
|
|
|
|
|
!*** initialize local variables
|
|
|
|
gdot = 0.0_pReal
|
|
Lp = 0.0_pReal
|
|
dLp_dTstar3333 = 0.0_pReal
|
|
|
|
myInstance = phase_constitutionInstance(material_phase(g,ip,el))
|
|
myStructure = constitutive_nonlocal_structure(myInstance)
|
|
ns = constitutive_nonlocal_totalNslip(myInstance)
|
|
|
|
!*** shortcut to state variables
|
|
|
|
forall (t = 1:8) &
|
|
rhoSgl(:,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
|
|
forall (s = 1:ns, t = 5:8, rhoSgl(s,t) * constitutive_nonlocal_v(s,t-4,g,ip,el) < 0.0_pReal) & ! contribution of used rho for changing sign of v
|
|
rhoSgl(s,t-4) = rhoSgl(s,t-4) + abs(rhoSgl(s,t))
|
|
|
|
tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns)
|
|
|
|
call constitutive_nonlocal_kinetics(Tstar_v, Temperature, state, g, ip, el) ! update dislocation velocity
|
|
|
|
!*** Calculation of gdot and its tangent
|
|
|
|
forall (t = 1:4 ) &
|
|
gdot(:,t) = rhoSgl(:,t) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) * constitutive_nonlocal_v(:,t,g,ip,el)
|
|
gdotTotal = sum(gdot,2)
|
|
|
|
dgdotTotal_dtau = abs(gdotTotal) * constitutive_nonlocal_Q0(myInstance) / ( kB * Temperature * tauThreshold )
|
|
|
|
!*** Calculation of Lp and its tangent
|
|
|
|
do s = 1,ns
|
|
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
|
|
|
|
Lp = Lp + gdotTotal(s) * lattice_Sslip(:,:,sLattice,myStructure)
|
|
|
|
forall (i=1:3,j=1:3,k=1:3,l=1:3) &
|
|
dLp_dTstar3333(i,j,k,l) = dLp_dTstar3333(i,j,k,l) + dgdotTotal_dtau(s) * lattice_Sslip(i,j, sLattice,myStructure) &
|
|
* lattice_Sslip(k,l, sLattice,myStructure)
|
|
enddo
|
|
|
|
dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333)
|
|
|
|
!if (verboseDebugger .and. selectiveDebugger) then
|
|
! !$OMP CRITICAL (write2out)
|
|
! write(6,*) '::: LpandItsTangent',g,ip,el
|
|
! write(6,*)
|
|
! ! write(6,'(a,/,12(f12.5,x),/)') 'v', constitutive_nonlocal_v(:,t,g,ip,el)
|
|
! write(6,'(a,/,12(f12.5,x),/)') 'gdot /1e-3',gdot*1e3_pReal
|
|
! write(6,'(a,/,12(f12.5,x),/)') 'gdot total /1e-3',gdotTotal*1e3_pReal
|
|
! write(6,'(a,/,3(3(f12.7,x)/))') 'Lp',Lp
|
|
! ! call flush(6)
|
|
! !$OMPEND CRITICAL (write2out)
|
|
!endif
|
|
|
|
endsubroutine
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* rate of change of microstructure *
|
|
!*********************************************************************
|
|
subroutine constitutive_nonlocal_dotState(dotState, Tstar_v, previousTstar_v, Fe, Fp, Temperature, disorientation, dt_previous, &
|
|
state, previousState, relevantState, timestep, g,ip,el)
|
|
|
|
use prec, only: pReal, &
|
|
pInt, &
|
|
p_vec
|
|
use IO, only: IO_error
|
|
use debug, only: debugger, &
|
|
selectiveDebugger, &
|
|
verboseDebugger
|
|
use math, only: math_norm3, &
|
|
math_mul6x6, &
|
|
math_mul3x3, &
|
|
math_mul33x3, &
|
|
math_mul33x33, &
|
|
math_inv3x3, &
|
|
math_det3x3, &
|
|
math_Mandel6to33, &
|
|
pi, &
|
|
NaN
|
|
use mesh, only: mesh_NcpElems, &
|
|
mesh_maxNips, &
|
|
mesh_maxNipNeighbors, &
|
|
mesh_element, &
|
|
FE_NipNeighbors, &
|
|
mesh_ipNeighborhood, &
|
|
mesh_ipVolume, &
|
|
mesh_ipArea, &
|
|
mesh_ipAreaNormal, &
|
|
mesh_ipCenterOfGravity
|
|
use material, only: homogenization_maxNgrains, &
|
|
material_phase, &
|
|
phase_constitutionInstance, &
|
|
phase_localConstitution
|
|
use lattice, only: lattice_Sslip, &
|
|
lattice_Sslip_v, &
|
|
lattice_sd, &
|
|
lattice_sn, &
|
|
lattice_st, &
|
|
lattice_maxNslipFamily, &
|
|
lattice_NslipSystem
|
|
implicit none
|
|
|
|
!*** input variables
|
|
integer(pInt), intent(in) :: g, & ! current grain number
|
|
ip, & ! current integration point
|
|
el ! current element number
|
|
real(pReal), intent(in) :: Temperature, & ! temperature
|
|
timestep, & ! substepped crystallite time increment
|
|
dt_previous ! time increment between previous and current state
|
|
real(pReal), dimension(6), intent(in) :: Tstar_v, & ! current 2nd Piola-Kirchhoff stress in Mandel notation
|
|
previousTstar_v ! previous 2nd Piola-Kirchhoff stress in Mandel notation
|
|
real(pReal), dimension(4,mesh_maxNipNeighbors), intent(in) :: &
|
|
disorientation ! crystal disorientation between me and my neighbor (axis, angle pair)
|
|
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
|
Fe, & ! elastic deformation gradient
|
|
Fp ! plastic deformation gradient
|
|
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
|
state, & ! current microstructural state
|
|
previousState, & ! previous microstructural state
|
|
relevantState ! relevant microstructural state
|
|
|
|
!*** input/output variables
|
|
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(inout) :: &
|
|
dotState ! evolution of state variables / microstructure
|
|
|
|
!*** output variables
|
|
|
|
!*** local variables
|
|
integer(pInt) myInstance, & ! current instance of this constitution
|
|
myStructure, & ! current lattice structure
|
|
ns, & ! short notation for the total number of active slip systems
|
|
neighboring_el, & ! element number of my neighbor
|
|
neighboring_ip, & ! integration point of my neighbor
|
|
c, & ! character of dislocation
|
|
n, & ! index of my current neighbor
|
|
opposite_n, & ! index of my opposite neighbor
|
|
opposite_ip, & ! ip of my opposite neighbor
|
|
opposite_el, & ! element index of my opposite neighbor
|
|
t, & ! type of dislocation
|
|
s, & ! index of my current slip system
|
|
sLattice, & ! index of my current slip system according to lattice order
|
|
i
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),10) :: &
|
|
rhoDot, & ! density evolution
|
|
rhoDotRemobilization, & ! density evolution by remobilization
|
|
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
|
|
rhoDotDipole2SingleStressChange, & ! density evolution by dipole dissociation (by stress increase)
|
|
rhoDotSingle2DipoleStressChange ! density evolution by dipole formation (by stress decrease)
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: &
|
|
rhoSgl, & ! current single dislocation densities (positive/negative screw and edge without dipoles)
|
|
previousRhoSgl ! previous single dislocation densities (positive/negative screw and edge without dipoles)
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
|
|
fluxdensity, & ! flux density at central material point
|
|
neighboring_fluxdensity, &! flux density at neighbroing material point
|
|
gdot ! shear rates
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
|
|
rhoForest, & ! forest dislocation density
|
|
tauThreshold, & ! threshold shear stress
|
|
tau, & ! current resolved shear stress
|
|
previousTau, & ! previous resolved shear stress
|
|
invLambda, & ! inverse of mean free path for dislocations
|
|
vClimb ! climb velocity of edge dipoles
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: &
|
|
rhoDip, & ! current dipole dislocation densities (screw and edge dipoles)
|
|
previousRhoDip, & ! previous 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
|
|
previousDUpper, & ! previous maximum stable dipole distance for edges and screws
|
|
dUpperDot ! rate of change of the maximum stable dipole distance for edges and screws
|
|
real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
|
|
m ! direction of dislocation motion
|
|
real(pReal), dimension(3,3) :: F, & ! total deformation gradient
|
|
neighboring_F, & ! total deformation gradient of my neighbor
|
|
Favg ! average total deformation gradient of me and my neighbor
|
|
real(pReal), dimension(6) :: Tdislocation_v, & ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
|
|
previousTdislocation_v ! previous dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
|
|
real(pReal), dimension(3) :: surfaceNormal, & ! surface normal in lattice configuration
|
|
surfaceNormal_currentconf ! surface normal in current configuration
|
|
real(pReal) area, & ! area of the current interface
|
|
detFe, & ! determinant of elastic defornmation gradient
|
|
transmissivity, & ! transmissivity of interfaces for dislocation flux
|
|
average_fluxdensity, & ! average flux density at interface
|
|
maximum_fluxdensity, & ! upper bound for flux density at interface
|
|
weight, & ! weight for interpolation of flux density
|
|
lineLength, & ! dislocation line length leaving the current interface
|
|
D ! self diffusion
|
|
logical highOrderScheme ! flag indicating whether we use a high order interpolation scheme or not
|
|
|
|
if (verboseDebugger .and. selectiveDebugger) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*) '::: constitutive_nonlocal_dotState at ',g,ip,el
|
|
write(6,*)
|
|
!$OMPEND CRITICAL (write2out)
|
|
endif
|
|
|
|
if (.not. ( mesh_element(2,el) == 1_pInt &
|
|
.or. mesh_element(2,el) == 6_pInt &
|
|
.or. mesh_element(2,el) == 7_pInt &
|
|
.or. mesh_element(2,el) == 8_pInt )) &
|
|
call IO_error(-1,el,ip,g,'element type not supported for nonlocal constitution')
|
|
|
|
myInstance = phase_constitutionInstance(material_phase(g,ip,el))
|
|
myStructure = constitutive_nonlocal_structure(myInstance)
|
|
ns = constitutive_nonlocal_totalNslip(myInstance)
|
|
|
|
tau = 0.0_pReal
|
|
previousTau = 0.0_pReal
|
|
gdot = 0.0_pReal
|
|
dLower = 0.0_pReal
|
|
dUpper = 0.0_pReal
|
|
previousDUpper = 0.0_pReal
|
|
dUpperDot = 0.0_pReal
|
|
|
|
!*** shortcut to state variables
|
|
|
|
forall (t = 1:8) rhoSgl(:,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
|
|
forall (t = 1:8) previousRhoSgl(:,t) = previousState(g,ip,el)%p((t-1)*ns+1:t*ns)
|
|
forall (c = 1:2) rhoDip(:,c) = state(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
|
|
forall (c = 1:2) previousRhoDip(:,c) = previousState(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
|
|
rhoForest = state(g,ip,el)%p(10*ns+1:11*ns)
|
|
tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns)
|
|
Tdislocation_v = state(g,ip,el)%p(12*ns+1:12*ns+6)
|
|
previousTdislocation_v = previousState(g,ip,el)%p(12*ns+1:12*ns+6)
|
|
|
|
!*** sanity check for timestep
|
|
|
|
if (timestep <= 0.0_pReal) then ! if illegal timestep...
|
|
dotState(1,ip,el)%p(1:10*ns) = 0.0_pReal ! ...return without doing anything (-> zero dotState)
|
|
return
|
|
endif
|
|
|
|
if (any(constitutive_nonlocal_v(:,:,g,ip,el)*timestep > mesh_ipVolume(ip,el)**(1.0_pReal/3.0_pReal))) then ! if timestep is too large,...
|
|
dotState(1,ip,el)%p(1:10*ns) = NaN ! ...assign NaN and enforce a cutback
|
|
if (verboseDebugger) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*) 'exceeded maximum allowed dislocation velocity at ',g,ip,el
|
|
write(6,*)
|
|
!$OMPEND CRITICAL (write2out)
|
|
endif
|
|
return
|
|
endif
|
|
|
|
|
|
!****************************************************************************
|
|
!*** Calculate shear rate
|
|
|
|
forall (t = 1:4) &
|
|
gdot(:,t) = rhoSgl(:,t) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) * constitutive_nonlocal_v(:,t,g,ip,el)
|
|
forall (s = 1:ns, t = 1:4, rhoSgl(s,t+4) * constitutive_nonlocal_v(s,t,g,ip,el) < 0.0_pReal) & ! contribution of used rho for changing sign of v
|
|
gdot(s,t) = gdot(s,t) + abs(rhoSgl(s,t+4)) * constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) &
|
|
* constitutive_nonlocal_v(s,t,g,ip,el)
|
|
|
|
!****************************************************************************
|
|
!*** calculate limits for stable dipole height and its rate of change
|
|
|
|
do s = 1,ns ! loop over slip systems
|
|
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
|
|
|
|
tau(s) = math_mul6x6( Tstar_v + Tdislocation_v, lattice_Sslip_v(:,sLattice,myStructure) )
|
|
previousTau(s) = math_mul6x6( previousTstar_v + previousTdislocation_v, lattice_Sslip_v(:,sLattice,myStructure) )
|
|
|
|
enddo
|
|
|
|
dLower(:,1) = constitutive_nonlocal_dLowerEdgePerSlipSystem(:,myInstance)
|
|
dLower(:,2) = constitutive_nonlocal_dLowerScrewPerSlipSystem(:,myInstance)
|
|
dUpper(:,2) = min( 1.0_pReal / sqrt( sum(abs(rhoSgl),2)+sum(rhoDip,2) ), &
|
|
constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
/ ( 8.0_pReal * pi * abs(tau) ) )
|
|
dUpper(:,1) = dUpper(:,2) / ( 1.0_pReal - constitutive_nonlocal_nu(myInstance) )
|
|
previousDUpper(:,2) = min( 1.0_pReal / sqrt( sum(abs(previousRhoSgl),2) + sum(previousRhoDip,2) ), &
|
|
constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
/ ( 8.0_pReal * pi * abs(previousTau) ) )
|
|
previousDUpper(:,1) = previousDUpper(:,2) / ( 1.0_pReal - constitutive_nonlocal_nu(myInstance) )
|
|
|
|
if (dt_previous > 0.0_pReal) dUpperDot = (dUpper - previousDUpper) / dt_previous
|
|
|
|
|
|
!****************************************************************************
|
|
!*** dislocation remobilization (bauschinger effect)
|
|
|
|
rhoDotRemobilization = 0.0_pReal
|
|
if (timestep > 0.0_pReal) then
|
|
do t = 1,4
|
|
do s = 1,ns
|
|
if (rhoSgl(s,t+4) * constitutive_nonlocal_v(s,t,g,ip,el) < 0.0_pReal) then
|
|
rhoDotRemobilization(s,t) = abs(rhoSgl(s,t+4)) / timestep
|
|
rhoSgl(s,t) = rhoSgl(s,t) + abs(rhoSgl(s,t+4))
|
|
rhoDotRemobilization(s,t+4) = - rhoSgl(s,t+4) / timestep
|
|
rhoSgl(s,t+4) = 0.0_pReal
|
|
endif
|
|
enddo
|
|
enddo
|
|
endif
|
|
|
|
|
|
!****************************************************************************
|
|
!*** calculate dislocation multiplication
|
|
|
|
rhoDotMultiplication(:,1:2) = spread(0.5_pReal * sum(abs(gdot(:,3:4)),2) * sqrt(rhoForest) &
|
|
/ constitutive_nonlocal_lambda0PerSlipSystem(:,myInstance) &
|
|
/ constitutive_nonlocal_burgersPerSlipSystem(:,myInstance), 2, 2)
|
|
rhoDotMultiplication(:,3:4) = spread(0.5_pReal * sum(abs(gdot(:,1:2)),2) * sqrt(rhoForest) &
|
|
/ constitutive_nonlocal_lambda0PerSlipSystem(:,myInstance) &
|
|
/ constitutive_nonlocal_burgersPerSlipSystem(:,myInstance), 2, 2)
|
|
rhoDotMultiplication(:,5:10) = 0.0_pReal ! used dislocation densities and dipoles don't multiplicate
|
|
|
|
|
|
!****************************************************************************
|
|
!*** calculate dislocation fluxes
|
|
|
|
rhoDotFlux = 0.0_pReal
|
|
|
|
m(:,:,1) = lattice_sd(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure)
|
|
m(:,:,2) = -lattice_sd(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure)
|
|
m(:,:,3) = lattice_st(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure)
|
|
m(:,:,4) = -lattice_st(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure)
|
|
|
|
F = math_mul33x33(Fe(:,:,g,ip,el), Fp(:,:,g,ip,el))
|
|
detFe = math_det3x3(Fe(:,:,g,ip,el))
|
|
|
|
fluxdensity = rhoSgl(:,1:4) * constitutive_nonlocal_v(:,:,g,ip,el)
|
|
|
|
do n = 1,FE_NipNeighbors(mesh_element(2,el)) ! loop through my neighbors
|
|
opposite_n = n - 1_pInt + 2_pInt*mod(n,2_pInt)
|
|
|
|
neighboring_el = mesh_ipNeighborhood(1,n,ip,el)
|
|
neighboring_ip = mesh_ipNeighborhood(2,n,ip,el)
|
|
|
|
opposite_el = mesh_ipNeighborhood(1,opposite_n,ip,el)
|
|
opposite_ip = mesh_ipNeighborhood(2,opposite_n,ip,el)
|
|
|
|
if ( neighboring_el > 0_pInt .and. neighboring_ip > 0_pInt ) then ! if neighbor exists, average deformation gradient
|
|
neighboring_F = math_mul33x33(Fe(:,:,g,neighboring_ip,neighboring_el), Fp(:,:,g,neighboring_ip,neighboring_el))
|
|
Favg = 0.5_pReal * (F + neighboring_F)
|
|
else ! if no neighbor, take my value as average
|
|
Favg = F
|
|
endif
|
|
|
|
surfaceNormal_currentconf = math_det3x3(Favg) * math_mul33x3(math_inv3x3(transpose(Favg)), mesh_ipAreaNormal(:,n,ip,el)) ! calculate the normal of the interface in current ...
|
|
surfaceNormal = math_mul33x3(transpose(Fe(:,:,g,ip,el)), surfaceNormal_currentconf) / detFe ! ... and lattice configuration
|
|
area = mesh_ipArea(n,ip,el) * math_norm3(surfaceNormal)
|
|
surfaceNormal = surfaceNormal / math_norm3(surfaceNormal) ! normalize the surface normal to unit length
|
|
|
|
transmissivity = constitutive_nonlocal_transmissivity(disorientation(:,n))
|
|
|
|
highOrderScheme = .false.
|
|
if ( neighboring_el > 0 .and. neighboring_ip > 0 ) then ! if neighbor exists...
|
|
if ( .not. phase_localConstitution(material_phase(1,neighboring_ip,neighboring_el))) then ! ... and is of nonlocal constitution...
|
|
forall (t = 1:4) & ! ... then calculate neighboring flux density
|
|
neighboring_fluxdensity(:,t) = state(g,neighboring_ip,neighboring_el)%p((t-1)*ns+1:t*ns) &
|
|
* constitutive_nonlocal_v(:,t,g,neighboring_ip,neighboring_el)
|
|
if (transmissivity == 1.0_pReal) then ! ... if additionally interface's transmission is perfect...
|
|
highOrderScheme = .true. ! ... then use high order interpolation scheme
|
|
weight = 0.5_pReal * mesh_ipVolume(ip,el) / area &
|
|
/ math_norm3(math_mul33x3(Favg,( mesh_ipCenterOfGravity(:,neighboring_ip,neighboring_el) &
|
|
- mesh_ipCenterOfGravity(:,ip,el))))
|
|
endif
|
|
else ! ... and is of local constitution...
|
|
neighboring_fluxdensity = fluxdensity ! ... then copy flux density to neighbor
|
|
endif
|
|
else ! if no neighbor existent...
|
|
neighboring_fluxdensity = 0.0_pReal ! ... assume zero density
|
|
endif
|
|
|
|
do s = 1,ns
|
|
do t = 1,4
|
|
|
|
if ( fluxdensity(s,t) * math_mul3x3(m(:,s,t), surfaceNormal) > 0.0_pReal ) then ! outgoing flux
|
|
if ( highOrderScheme ) then
|
|
average_fluxdensity = fluxdensity(s,t) + weight * (neighboring_fluxdensity(s,t) - fluxdensity(s,t))
|
|
maximum_fluxdensity = rhoSgl(s,t) * mesh_ipVolume(ip,el)**(1.0_pReal/3.0_pReal) / timestep
|
|
average_fluxdensity = min(abs(average_fluxdensity),maximum_fluxdensity) * sign(1.0_pReal,average_fluxdensity)
|
|
else
|
|
average_fluxdensity = fluxdensity(s,t)
|
|
endif
|
|
|
|
lineLength = average_fluxdensity * math_mul3x3(m(:,s,t), surfaceNormal) * area ! line length that wants to leave this interface
|
|
rhoDotFlux(s,t) = rhoDotFlux(s,t) - lineLength / mesh_ipVolume(ip,el) ! subtract positive dislocation flux that leaves the material point
|
|
rhoDotFlux(s,t+4) = rhoDotFlux(s,t+4) + lineLength / mesh_ipVolume(ip,el) * (1.0_pReal - transmissivity) &
|
|
* sign(1.0_pReal, average_fluxdensity) ! dislocation flux that is not able to leave through interface (because of low transmissivity) will remain as immobile single density at the material point
|
|
! if (selectiveDebugger .and. s==1) &
|
|
! write(6,'(a22,i2,a15,i2,a3,4(e20.10,x))') 'outgoing flux of type ',t,' to neighbor ',n,' : ', &
|
|
! -lineLength / mesh_ipVolume(ip,el), average_fluxdensity, maximum_fluxdensity, &
|
|
! average_fluxdensity / maximum_fluxdensity
|
|
else ! incoming flux
|
|
if ( highOrderScheme ) then
|
|
average_fluxdensity = fluxdensity(s,t) + weight * (neighboring_fluxdensity(s,t) - fluxdensity(s,t))
|
|
maximum_fluxdensity = state(g,neighboring_ip,neighboring_el)%p((t-1)*ns+s) &
|
|
* mesh_ipVolume(neighboring_ip,neighboring_el)**(1.0_pReal/3.0_pReal) / timestep
|
|
average_fluxdensity = min(abs(average_fluxdensity),maximum_fluxdensity) * sign(1.0_pReal,average_fluxdensity)
|
|
else
|
|
average_fluxdensity = neighboring_fluxdensity(s,t)
|
|
endif
|
|
|
|
lineLength = average_fluxdensity * math_mul3x3(m(:,s,t), surfaceNormal) * area ! line length that wants to leave this interface
|
|
rhoDotFlux(s,t) = rhoDotFlux(s,t) - lineLength / mesh_ipVolume(ip,el) * transmissivity ! subtract negative dislocation flux that enters the material point
|
|
! if (selectiveDebugger .and. s==1) &
|
|
! write(6,'(a22,i2,a15,i2,a3,4(e20.10,x))') 'incoming flux of type ',t,' from neighbor ',n,' : ', &
|
|
! -lineLength / mesh_ipVolume(ip,el) * transmissivity, average_fluxdensity, maximum_fluxdensity, &
|
|
! average_fluxdensity / maximum_fluxdensity
|
|
endif
|
|
|
|
enddo
|
|
enddo
|
|
|
|
enddo
|
|
|
|
constitutive_nonlocal_rhoDotFlux(:,:,g,ip,el) = rhoDotFlux
|
|
|
|
|
|
!****************************************************************************
|
|
!*** calculate dipole formation and annihilation
|
|
|
|
!*** formation by glide
|
|
|
|
do c = 1,2
|
|
|
|
rhoDotSingle2DipoleGlide(:,2*c-1) = - 2.0_pReal * dUpper(:,c) / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
* (rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) + rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! negative mobile <-> positive mobile
|
|
+ abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1)))! negative immobile <-> positive mobile
|
|
|
|
rhoDotSingle2DipoleGlide(:,2*c) = - 2.0_pReal * dUpper(:,c) / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
* (rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) + rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! negative mobile <-> positive mobile
|
|
+ abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c))) ! negative mobile <-> positive immobile
|
|
|
|
rhoDotSingle2DipoleGlide(:,2*c+3) = - 2.0_pReal * dUpper(:,c) / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) & ! negative mobile <-> positive immobile
|
|
* rhoSgl(:,2*c+3) * abs(gdot(:,2*c))
|
|
|
|
rhoDotSingle2DipoleGlide(:,2*c+4) = - 2.0_pReal * dUpper(:,c) / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
* rhoSgl(:,2*c+4) * abs(gdot(:,2*c-1)) ! negative immobile <-> positive mobile
|
|
|
|
rhoDotSingle2DipoleGlide(:,c+8) = - rhoDotSingle2DipoleGlide(:,2*c-1) - rhoDotSingle2DipoleGlide(:,2*c) &
|
|
+ abs(rhoDotSingle2DipoleGlide(:,2*c+3)) + abs(rhoDotSingle2DipoleGlide(:,2*c+4))
|
|
enddo
|
|
|
|
|
|
!*** athermal annihilation
|
|
|
|
rhoDotAthermalAnnihilation = 0.0_pReal
|
|
|
|
forall (c=1:2) &
|
|
rhoDotAthermalAnnihilation(:,c+8) = - 2.0_pReal * dLower(:,c) / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
* ( 2.0_pReal * ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) + rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) ) & ! was single hitting single
|
|
+ 2.0_pReal * ( abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c)) + abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1)) ) & ! was single hitting immobile single or was immobile single hit by single
|
|
+ rhoDip(:,c) * ( abs(gdot(:,2*c-1)) + abs(gdot(:,2*c)) ) ) ! single knocks dipole constituent
|
|
|
|
|
|
!*** thermally activated annihilation of dipoles
|
|
|
|
rhoDotThermalAnnihilation = 0.0_pReal
|
|
|
|
D = constitutive_nonlocal_D0(myInstance) * exp(-constitutive_nonlocal_Qsd(myInstance) / (kB * Temperature))
|
|
|
|
vClimb = constitutive_nonlocal_atomicVolume(myInstance) * D / ( kB * Temperature ) &
|
|
* constitutive_nonlocal_Gmod(myInstance) / ( 2.0_pReal * pi * (1.0_pReal-constitutive_nonlocal_nu(myInstance)) ) &
|
|
* 2.0_pReal / ( dUpper(:,1) + dLower(:,1) )
|
|
|
|
rhoDotThermalAnnihilation(:,9) = - 4.0_pReal * rhoDip(:,1) * vClimb / ( dUpper(:,1) - dLower(:,1) ) ! edge climb
|
|
rhoDotThermalAnnihilation(:,10) = 0.0_pReal !!! cross slipping still has to be implemented !!!
|
|
|
|
|
|
!*** formation/dissociation by stress change = alteration in dUpper
|
|
|
|
rhoDotDipole2SingleStressChange = 0.0_pReal
|
|
forall (c=1:2, s=1:ns, dUpperDot(s,c) < 0.0_pReal) & ! increased stress => dipole dissociation
|
|
rhoDotDipole2SingleStressChange(s,8+c) = rhoDip(s,c) * dUpperDot(s,c) / (previousDUpper(s,c) - dLower(s,c))
|
|
|
|
forall (t=1:4) &
|
|
rhoDotDipole2SingleStressChange(:,t) = -0.5_pReal * rhoDotDipole2SingleStressChange(:,(t-1)/2+9)
|
|
|
|
|
|
rhoDotSingle2DipoleStressChange = 0.0_pReal
|
|
do c = 1,2
|
|
do s = 1,ns
|
|
if (dUpperDot(s,c) > 0.0_pReal) then ! stress decrease => dipole formation
|
|
rhoDotSingle2DipoleStressChange(s,2*(c-1)+1) = -4.0_pReal * dUpperDot(s,c) * previousDUpper(s,c) * rhoSgl(s,2*(c-1)+1) &
|
|
* ( rhoSgl(s,2*(c-1)+2) + abs(rhoSgl(s,2*(c-1)+6)) )
|
|
rhoDotSingle2DipoleStressChange(s,2*(c-1)+2) = -4.0_pReal * dUpperDot(s,c) * previousDUpper(s,c) * rhoSgl(s,2*(c-1)+2) &
|
|
* ( rhoSgl(s,2*(c-1)+1) + abs(rhoSgl(s,2*(c-1)+5)) )
|
|
rhoDotSingle2DipoleStressChange(s,2*(c-1)+5) = -4.0_pReal * dUpperDot(s,c) * previousDUpper(s,c) * rhoSgl(s,2*(c-1)+5) &
|
|
* ( rhoSgl(s,2*(c-1)+2) + abs(rhoSgl(s,2*(c-1)+6)) )
|
|
rhoDotSingle2DipoleStressChange(s,2*(c-1)+6) = -4.0_pReal * dUpperDot(s,c) * previousDUpper(s,c) * rhoSgl(s,2*(c-1)+6) &
|
|
* ( rhoSgl(s,2*(c-1)+1) + abs(rhoSgl(s,2*(c-1)+5)) )
|
|
endif
|
|
enddo
|
|
enddo
|
|
|
|
forall (c = 1:2) &
|
|
rhoDotSingle2DipoleStressChange(:,8+c) = abs(rhoDotSingle2DipoleStressChange(:,2*(c-1)+1)) &
|
|
+ abs(rhoDotSingle2DipoleStressChange(:,2*(c-1)+2)) &
|
|
+ abs(rhoDotSingle2DipoleStressChange(:,2*(c-1)+5)) &
|
|
+ abs(rhoDotSingle2DipoleStressChange(:,2*(c-1)+6))
|
|
|
|
|
|
!****************************************************************************
|
|
!*** assign the rates of dislocation densities to my dotState
|
|
|
|
rhoDot = 0.0_pReal
|
|
forall (t = 1:10) &
|
|
rhoDot(:,t) = rhoDotFlux(:,t) &
|
|
+ rhoDotSingle2DipoleGlide(:,t) &
|
|
+ rhoDotAthermalAnnihilation(:,t) &
|
|
+ rhoDotRemobilization(:,t) &
|
|
+ rhoDotMultiplication(:,t) &
|
|
+ rhoDotThermalAnnihilation(:,t)
|
|
! + rhoDotDipole2SingleStressChange(:,t) &
|
|
! + rhoDotSingle2DipoleStressChange(:,t)
|
|
|
|
dotState(g,ip,el)%p(1:10*ns) = dotState(g,ip,el)%p(1:10*ns) + reshape(rhoDot,(/10*ns/))
|
|
|
|
do i = 1,4*ns
|
|
if (previousState(g,ip,el)%p(i) + dotState(g,ip,el)%p(i)*timestep < 0.0_pReal) then ! if single mobile densities become negative...
|
|
if (previousState(g,ip,el)%p(i) < relevantState(g,ip,el)%p(i)) then ! ... and density is already below relevance...
|
|
dotState(g,ip,el)%p(i) = 0.0_pReal ! ... set dotState to zero
|
|
else ! ... otherwise...
|
|
if (verboseDebugger) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*) 'negative dislocation density at ',g,ip,el
|
|
write(6,*)
|
|
!$OMPEND CRITICAL (write2out)
|
|
endif
|
|
dotState(g,ip,el)%p(i) = NaN ! ... assign NaN and enforce a cutback
|
|
endif
|
|
endif
|
|
enddo
|
|
|
|
if (verboseDebugger .and. selectiveDebugger) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,'(a,/,8(12(e12.5,x),/))') 'dislocation remobilization', rhoDotRemobilization(:,1:8) * timestep
|
|
write(6,'(a,/,4(12(e12.5,x),/))') 'dislocation multiplication', rhoDotMultiplication(:,1:4) * timestep
|
|
write(6,'(a,/,8(12(e12.5,x),/))') 'dislocation flux', rhoDotFlux(:,1:8) * timestep
|
|
write(6,'(a,/,10(12(e12.5,x),/))') 'dipole formation by glide', rhoDotSingle2DipoleGlide * timestep
|
|
write(6,'(a,/,2(12(e12.5,x),/))') 'athermal dipole annihilation', rhoDotAthermalAnnihilation(:,1:2) * timestep
|
|
write(6,'(a,/,2(12(e12.5,x),/))') 'thermally activated dipole annihilation', rhoDotThermalAnnihilation(:,9:10) * timestep
|
|
! write(6,'(a,/,10(12(e12.5,x),/))') 'dipole dissociation by stress increase', rhoDotDipole2SingleStressChange * timestep
|
|
! write(6,'(a,/,10(12(e12.5,x),/))') 'dipole formation by stress decrease', rhoDotSingle2DipoleStressChange * timestep
|
|
write(6,'(a,/,10(12(e12.5,x),/))') 'total density change', rhoDot * timestep
|
|
!$OMPEND CRITICAL (write2out)
|
|
endif
|
|
|
|
endsubroutine
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* transmissivity of IP interface *
|
|
!*********************************************************************
|
|
function constitutive_nonlocal_transmissivity(disorientation)
|
|
|
|
use prec, only: pReal, &
|
|
pInt
|
|
use math, only: math_QuaternionToAxisAngle
|
|
|
|
implicit none
|
|
|
|
!* input variables
|
|
real(pReal), dimension(4), intent(in) :: disorientation ! disorientation as quaternion
|
|
|
|
!* output variables
|
|
real(pReal) constitutive_nonlocal_transmissivity ! transmissivity of an IP interface for dislocations
|
|
|
|
!* local variables
|
|
real(pReal) disorientationAngle
|
|
real(pReal), dimension(3) :: disorientationAxis
|
|
real(pReal), dimension(4) :: disorientationAxisAngle
|
|
|
|
|
|
disorientationAxisAngle = math_QuaternionToAxisAngle(disorientation)
|
|
|
|
disorientationAxis = disorientationAxisAngle(1:3)
|
|
disorientationAngle = disorientationAxisAngle(4)
|
|
|
|
if (disorientationAngle < 3.0_pReal) then
|
|
constitutive_nonlocal_transmissivity = 1.0_pReal
|
|
else
|
|
constitutive_nonlocal_transmissivity = 0.5_pReal
|
|
endif
|
|
|
|
endfunction
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* rate of change of temperature *
|
|
!*********************************************************************
|
|
pure function constitutive_nonlocal_dotTemperature(Tstar_v,Temperature,state,g,ip,el)
|
|
|
|
use prec, only: pReal, &
|
|
pInt, &
|
|
p_vec
|
|
use mesh, only: mesh_NcpElems, &
|
|
mesh_maxNips
|
|
use material, only: homogenization_maxNgrains
|
|
implicit none
|
|
|
|
!* input variables
|
|
integer(pInt), intent(in) :: g, & ! current grain ID
|
|
ip, & ! current integration point
|
|
el ! current element
|
|
real(pReal), intent(in) :: Temperature ! temperature
|
|
real(pReal), dimension(6), intent(in) :: Tstar_v ! 2nd Piola-Kirchhoff stress in Mandel notation
|
|
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
|
state ! microstructural state
|
|
|
|
!* output variables
|
|
real(pReal) constitutive_nonlocal_dotTemperature ! evolution of Temperature
|
|
|
|
!* local variables
|
|
|
|
constitutive_nonlocal_dotTemperature = 0.0_pReal
|
|
|
|
endfunction
|
|
|
|
|
|
|
|
!*********************************************************************
|
|
!* return array of constitutive results *
|
|
!*********************************************************************
|
|
function constitutive_nonlocal_postResults(Tstar_v, previousTstar_v, Fe, Fp, Temperature, disorientation, dt, dt_previous, &
|
|
state, previousState, dotState, g,ip,el)
|
|
|
|
use prec, only: pReal, &
|
|
pInt, &
|
|
p_vec
|
|
use math, only: math_norm3, &
|
|
math_mul6x6, &
|
|
math_mul3x3, &
|
|
math_mul33x3, &
|
|
math_mul33x33, &
|
|
math_inv3x3, &
|
|
math_det3x3, &
|
|
math_Mandel6to33, &
|
|
pi
|
|
use mesh, only: mesh_NcpElems, &
|
|
mesh_maxNips, &
|
|
mesh_maxNipNeighbors, &
|
|
mesh_element, &
|
|
FE_NipNeighbors, &
|
|
mesh_ipNeighborhood, &
|
|
mesh_ipVolume, &
|
|
mesh_ipArea, &
|
|
mesh_ipAreaNormal
|
|
use material, only: homogenization_maxNgrains, &
|
|
material_phase, &
|
|
phase_constitutionInstance, &
|
|
phase_Noutput
|
|
use lattice, only: lattice_Sslip, &
|
|
lattice_Sslip_v, &
|
|
lattice_sd, &
|
|
lattice_sn, &
|
|
lattice_st, &
|
|
lattice_maxNslipFamily, &
|
|
lattice_NslipSystem
|
|
implicit none
|
|
|
|
!*** input variables
|
|
integer(pInt), intent(in) :: g, & ! current grain number
|
|
ip, & ! current integration point
|
|
el ! current element number
|
|
real(pReal), intent(in) :: Temperature, & ! temperature
|
|
dt, & ! time increment
|
|
dt_previous ! time increment between previous and current state
|
|
real(pReal), dimension(6), intent(in) :: Tstar_v, & ! current 2nd Piola-Kirchhoff stress in Mandel notation
|
|
previousTstar_v ! previous 2nd Piola-Kirchhoff stress in Mandel notation
|
|
real(pReal), dimension(4,mesh_maxNipNeighbors), intent(in) :: &
|
|
disorientation ! crystal disorientation between me and my neighbor (axis, angle pair)
|
|
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
|
Fe, & ! elastic deformation gradient
|
|
Fp ! plastic deformation gradient
|
|
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
|
state, & ! current microstructural state
|
|
previousState, & ! previous microstructural state
|
|
dotState ! evolution rate of microstructural state
|
|
|
|
!*** output variables
|
|
real(pReal), dimension(constitutive_nonlocal_sizePostResults(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
|
|
constitutive_nonlocal_postResults
|
|
|
|
!*** local variables
|
|
integer(pInt) myInstance, & ! current instance of this constitution
|
|
myStructure, & ! current lattice structure
|
|
ns, & ! short notation for the total number of active slip systems
|
|
neighboring_el, & ! element number of my neighbor
|
|
neighboring_ip, & ! integration point of my neighbor
|
|
c, & ! character of dislocation
|
|
cs, & ! constitutive result index
|
|
n, & ! index of my current neighbor
|
|
o, & ! index of current output
|
|
t, & ! type of dislocation
|
|
s, & ! index of my current slip system
|
|
sLattice ! index of my current slip system according to lattice order
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),6,4) :: &
|
|
fluxes ! outgoing fluxes per slipsystem, neighbor and dislocation type
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: &
|
|
rhoSgl, & ! current single dislocation densities (positive/negative screw and edge without dipoles)
|
|
previousRhoSgl, & ! previous single dislocation densities (positive/negative screw and edge without dipoles)
|
|
rhoDotSgl ! evolution rate of single dislocation densities (positive/negative screw and edge without dipoles)
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
|
|
gdot, & ! shear rates
|
|
lineLength ! dislocation line length leaving the current interface
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
|
|
rhoForest, & ! forest dislocation density
|
|
tauThreshold, & ! threshold shear stress
|
|
tau, & ! current resolved shear stress
|
|
previousTau, & ! previous resolved shear stress
|
|
invLambda, & ! inverse of mean free path for dislocations
|
|
vClimb ! climb velocity of edge dipoles
|
|
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: &
|
|
rhoDip, & ! current dipole dislocation densities (screw and edge dipoles)
|
|
previousRhoDip, & ! previous 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
|
|
previousDUpper, & ! previous maximum stable dipole distance for edges and screws
|
|
dUpperDot ! rate of change of the maximum stable dipole distance for edges and screws
|
|
real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: &
|
|
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
|
|
real(pReal), dimension(3,3) :: F, & ! total deformation gradient
|
|
neighboring_F, & ! total deformation gradient of my neighbor
|
|
Favg ! average total deformation gradient of me and my neighbor
|
|
real(pReal), dimension(6) :: Tdislocation_v, & ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
|
|
previousTdislocation_v ! previous dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
|
|
real(pReal), dimension(3) :: surfaceNormal, & ! surface normal in lattice configuration
|
|
surfaceNormal_currentconf ! surface normal in current configuration
|
|
real(pReal) area, & ! area of the current interface
|
|
detFe, & ! determinant of elastic defornmation gradient
|
|
D ! self diffusion
|
|
|
|
|
|
myInstance = phase_constitutionInstance(material_phase(g,ip,el))
|
|
myStructure = constitutive_nonlocal_structure(myInstance)
|
|
ns = constitutive_nonlocal_totalNslip(myInstance)
|
|
|
|
cs = 0_pInt
|
|
constitutive_nonlocal_postResults = 0.0_pReal
|
|
|
|
|
|
!* short hand notations for state variables
|
|
|
|
forall (t = 1:8) rhoSgl(:,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
|
|
forall (t = 1:8) previousRhoSgl(:,t) = previousState(g,ip,el)%p((t-1)*ns+1:t*ns)
|
|
forall (c = 1:2) rhoDip(:,c) = state(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
|
|
forall (c = 1:2) previousRhoDip(:,c) = previousState(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
|
|
rhoForest = state(g,ip,el)%p(10*ns+1:11*ns)
|
|
tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns)
|
|
Tdislocation_v = state(g,ip,el)%p(12*ns+1:12*ns+6)
|
|
previousTdislocation_v = previousState(g,ip,el)%p(12*ns+1:12*ns+6)
|
|
forall (t = 1:8) rhoDotSgl(:,t) = dotState(g,ip,el)%p((t-1)*ns+1:t*ns)
|
|
forall (c = 1:2) rhoDotDip(:,c) = dotState(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
|
|
|
|
|
|
!* Calculate shear rate
|
|
|
|
do t = 1,4
|
|
do s = 1,ns
|
|
if (rhoSgl(s,t+4) * constitutive_nonlocal_v(s,t,g,ip,el) < 0.0_pReal) then
|
|
rhoSgl(s,t) = rhoSgl(s,t) + abs(rhoSgl(s,t+4)) ! remobilization of immobile singles for changing sign of v (bauschinger effect)
|
|
rhoSgl(s,t+4) = 0.0_pReal ! remobilization of immobile singles for changing sign of v (bauschinger effect)
|
|
endif
|
|
enddo
|
|
enddo
|
|
|
|
forall (t = 1:4) &
|
|
gdot(:,t) = rhoSgl(:,t) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) * constitutive_nonlocal_v(:,t,g,ip,el)
|
|
|
|
!* calculate limits for stable dipole height and its rate of change
|
|
|
|
do s = 1,ns
|
|
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
|
|
tau(s) = math_mul6x6( Tstar_v + Tdislocation_v, lattice_Sslip_v(:,sLattice,myStructure) )
|
|
previousTau(s) = math_mul6x6( previousTstar_v + previousTdislocation_v, lattice_Sslip_v(:,sLattice,myStructure) )
|
|
enddo
|
|
|
|
dLower(:,1) = constitutive_nonlocal_dLowerEdgePerSlipSystem(:,myInstance)
|
|
dLower(:,2) = constitutive_nonlocal_dLowerScrewPerSlipSystem(:,myInstance)
|
|
dUpper(:,2) = min( constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
/ ( 8.0_pReal * pi * abs(tau) ), &
|
|
1.0_pReal / sqrt( sum(abs(rhoSgl),2)+sum(rhoDip,2) ) )
|
|
dUpper(:,1) = dUpper(:,2) / ( 1.0_pReal - constitutive_nonlocal_nu(myInstance) )
|
|
previousDUpper(:,2) = min( constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
/ ( 8.0_pReal * pi * abs(previousTau) ), &
|
|
1.0_pReal / sqrt( sum(abs(previousRhoSgl),2) + sum(previousRhoDip,2) ) )
|
|
previousDUpper(:,1) = previousDUpper(:,2) / ( 1.0_pReal - constitutive_nonlocal_nu(myInstance) )
|
|
|
|
if (dt_previous > 0.0_pReal) then
|
|
dUpperDot = (dUpper - previousDUpper) / dt_previous
|
|
else
|
|
dUpperDot = 0.0_pReal
|
|
endif
|
|
|
|
|
|
!*** dislocation motion
|
|
|
|
m(:,:,1) = lattice_sd(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure)
|
|
m(:,:,2) = lattice_st(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure)
|
|
forall (c = 1:2, s = 1:ns) &
|
|
m_currentconf(:,s,c) = math_mul33x3(Fe(:,:,g,ip,el), m(:,s,c))
|
|
|
|
|
|
do o = 1,phase_Noutput(material_phase(g,ip,el))
|
|
select case(constitutive_nonlocal_output(o,myInstance))
|
|
|
|
case ('rho')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl),2) + sum(rhoDip,2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_mobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl(:,1:4)),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_immobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl(:,5:8)),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_dip')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(rhoDip,2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_edge')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl(:,(/1,2,5,6/))),2) + rhoDip(:,1)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_edge')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl(:,(/1,2,5,6/))),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_edge_mobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(rhoSgl(:,1:2),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_edge_immobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl(:,5:6)),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_edge_pos')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,1) + abs(rhoSgl(:,5))
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_edge_pos_mobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,1)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_edge_pos_immobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = abs(rhoSgl(:,5))
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_edge_neg')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,2) + abs(rhoSgl(:,6))
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_edge_neg_mobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_edge_neg_immobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = abs(rhoSgl(:,6))
|
|
cs = cs + ns
|
|
|
|
case ('rho_dip_edge')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoDip(:,1)
|
|
cs = cs + ns
|
|
|
|
case ('rho_screw')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl(:,(/3,4,7,8/))),2) + rhoDip(:,2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_screw')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl(:,(/3,4,7,8/))),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_screw_mobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(rhoSgl(:,3:4),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_screw_immobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(rhoSgl(:,7:8)),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_screw_pos')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,3) + abs(rhoSgl(:,7))
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_screw_pos_mobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,3)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_screw_pos_immobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = abs(rhoSgl(:,7))
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_screw_neg')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,4) + abs(rhoSgl(:,8))
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_screw_neg_mobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,4)
|
|
cs = cs + ns
|
|
|
|
case ('rho_sgl_screw_neg_immobile')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = abs(rhoSgl(:,8))
|
|
cs = cs + ns
|
|
|
|
case ('rho_dip_screw')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoDip(:,2)
|
|
cs = cs + ns
|
|
|
|
case ('excess_rho')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = (rhoSgl(:,1) + abs(rhoSgl(:,5))) - (rhoSgl(:,2) + abs(rhoSgl(:,6))) &
|
|
+ (rhoSgl(:,3) + abs(rhoSgl(:,7))) - (rhoSgl(:,4) + abs(rhoSgl(:,8)))
|
|
cs = cs + ns
|
|
|
|
case ('excess_rho_edge')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = (rhoSgl(:,1) + abs(rhoSgl(:,5))) - (rhoSgl(:,2) + abs(rhoSgl(:,6)))
|
|
cs = cs + ns
|
|
|
|
case ('excess_rho_screw')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = (rhoSgl(:,3) + abs(rhoSgl(:,7))) - (rhoSgl(:,4) + abs(rhoSgl(:,8)))
|
|
cs = cs + ns
|
|
|
|
case ('rho_forest')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoForest
|
|
cs = cs + ns
|
|
|
|
case ('delta')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = 1.0_pReal / sqrt( sum(abs(rhoSgl),2) + sum(rhoDip,2) )
|
|
cs = cs + ns
|
|
|
|
case ('delta_sgl')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = 1.0_pReal / sqrt( sum(abs(rhoSgl),2))
|
|
cs = cs + ns
|
|
|
|
case ('delta_dip')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = 1.0_pReal / sqrt( sum(rhoDip,2) )
|
|
cs = cs + ns
|
|
|
|
case ('shearrate')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(gdot),2)
|
|
cs = cs + ns
|
|
|
|
case ('resolvedstress')
|
|
do s = 1,ns
|
|
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
|
|
constitutive_nonlocal_postResults(cs+s) = math_mul6x6( Tstar_v + Tdislocation_v, lattice_Sslip_v(:,sLattice,myStructure) )
|
|
enddo
|
|
cs = cs + ns
|
|
|
|
case ('resolvedstress_internal')
|
|
do s = 1,ns
|
|
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
|
|
constitutive_nonlocal_postResults(cs+s) = math_mul6x6(Tdislocation_v, lattice_Sslip_v(:,sLattice,myStructure) )
|
|
enddo
|
|
cs = cs + ns
|
|
|
|
case ('resolvedstress_external')
|
|
do s = 1,ns
|
|
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
|
|
constitutive_nonlocal_postResults(cs+s) = math_mul6x6(Tstar_v, lattice_Sslip_v(:,sLattice,myStructure) )
|
|
enddo
|
|
cs = cs + ns
|
|
|
|
case ('resistance')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = tauThreshold
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(rhoDotSgl,2) + sum(rhoDotDip,2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_sgl')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(rhoDotSgl,2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_dip')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(rhoDotDip,2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_gen')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(gdot),2) * sqrt(rhoForest) &
|
|
/ constitutive_nonlocal_lambda0PerSlipSystem(:,myInstance) &
|
|
/ constitutive_nonlocal_burgersPerSlipSystem(:,myInstance)
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_gen_edge')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(gdot(:,3:4)),2) * sqrt(rhoForest) &
|
|
/ constitutive_nonlocal_lambda0PerSlipSystem(:,myInstance) &
|
|
/ constitutive_nonlocal_burgersPerSlipSystem(:,myInstance)
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_gen_screw')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(abs(gdot(:,1:2)),2) * sqrt(rhoForest) &
|
|
/ constitutive_nonlocal_lambda0PerSlipSystem(:,myInstance) &
|
|
/ constitutive_nonlocal_burgersPerSlipSystem(:,myInstance)
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_sgl2dip')
|
|
do c=1,2 ! dipole formation by glide
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = constitutive_nonlocal_postResults(cs+1:cs+ns) + &
|
|
2.0_pReal * dUpper(:,c) / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
* ( 2.0_pReal * ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) + rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) ) & ! was single hitting single
|
|
+ 2.0_pReal * ( abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c)) + abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1)) ) ) ! was single hitting immobile/used single
|
|
enddo
|
|
! do c=1,2
|
|
! forall (s=1:ns, dUpperDot(s,c) > 0.0_pReal) & ! dipole formation by stress decrease
|
|
! constitutive_nonlocal_postResults(cs+s) = constitutive_nonlocal_postResults(cs+s) + &
|
|
! 8.0_pReal * rhoSgl(s,2*c-1) * rhoSgl(s,2*c) * previousDUpper(s,c) * dUpperDot(s,c)
|
|
! enddo
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_dip2sgl')
|
|
do c=1,2
|
|
forall (s=1:ns, dUpperDot(s,c) < 0.0_pReal) &
|
|
constitutive_nonlocal_postResults(cs+s) = constitutive_nonlocal_postResults(cs+s) - &
|
|
rhoDip(s,c) * dUpperDot(s,c) / (previousDUpper(s,c) - dLower(s,c))
|
|
enddo
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_ann_ath')
|
|
do c=1,2
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = constitutive_nonlocal_postResults(cs+1:cs+ns) + &
|
|
2.0_pReal * dLower(:,c) / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) &
|
|
* ( 2.0_pReal * ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) + rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) ) & ! was single hitting single
|
|
+ 2.0_pReal * ( abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c)) + abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1)) ) & ! was single hitting immobile/used single
|
|
+ rhoDip(:,c) * ( abs(gdot(:,2*c-1)) + abs(gdot(:,2*c)) ) ) ! single knocks dipole constituent
|
|
enddo
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_ann_the')
|
|
D = constitutive_nonlocal_D0(myInstance) * exp(-constitutive_nonlocal_Qsd(myInstance) / (kB * Temperature))
|
|
|
|
vClimb = constitutive_nonlocal_atomicVolume(myInstance) * D / ( kB * Temperature ) &
|
|
* constitutive_nonlocal_Gmod(myInstance) / ( 2.0_pReal * pi * (1.0_pReal-constitutive_nonlocal_nu(myInstance)) ) &
|
|
* 2.0_pReal / ( dUpper(:,1) + dLower(:,1) )
|
|
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = 4.0_pReal * rhoDip(:,1) * vClimb / ( dUpper(:,1) - dLower(:,1) )
|
|
! !!! cross-slip of screws missing !!!
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_flux')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(constitutive_nonlocal_rhoDotFlux(:,1:4,g,ip,el),2) &
|
|
+ sum(abs(constitutive_nonlocal_rhoDotFlux(:,5:8,g,ip,el)),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_flux_edge')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(constitutive_nonlocal_rhoDotFlux(:,1:2,g,ip,el),2) &
|
|
+ sum(abs(constitutive_nonlocal_rhoDotFlux(:,5:6,g,ip,el)),2)
|
|
cs = cs + ns
|
|
|
|
case ('rho_dot_flux_screw')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = sum(constitutive_nonlocal_rhoDotFlux(:,3:4,g,ip,el),2) &
|
|
+ sum(abs(constitutive_nonlocal_rhoDotFlux(:,7:8,g,ip,el)),2)
|
|
cs = cs + ns
|
|
|
|
case ('dislocationvelocity')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = constitutive_nonlocal_v(:,1,g,ip,el)
|
|
cs = cs + ns
|
|
|
|
case ('fluxdensity_edge_pos_x')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,1) * constitutive_nonlocal_v(:,1,g,ip,el) * m_currentconf(1,:,1)
|
|
cs = cs + ns
|
|
|
|
case ('fluxdensity_edge_pos_y')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,1) * constitutive_nonlocal_v(:,1,g,ip,el) * m_currentconf(2,:,1)
|
|
cs = cs + ns
|
|
|
|
case ('fluxdensity_edge_pos_z')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,1) * constitutive_nonlocal_v(:,1,g,ip,el) * m_currentconf(3,:,1)
|
|
cs = cs + ns
|
|
|
|
case ('fluxdensity_edge_neg_x')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,2) * constitutive_nonlocal_v(:,2,g,ip,el) * m_currentconf(1,:,2)
|
|
cs = cs + ns
|
|
|
|
case ('fluxdensity_edge_neg_y')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,2) * constitutive_nonlocal_v(:,2,g,ip,el) * m_currentconf(2,:,2)
|
|
cs = cs + ns
|
|
|
|
case ('fluxdensity_edge_neg_z')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,2) * constitutive_nonlocal_v(:,2,g,ip,el) * m_currentconf(3,:,2)
|
|
cs = cs + ns
|
|
|
|
case ('fluxdensity_screw_pos_x')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,3) * constitutive_nonlocal_v(:,3,g,ip,el) * m_currentconf(1,:,3)
|
|
cs = cs + ns
|
|
|
|
case ('fluxdensity_screw_pos_y')
|
|
constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,3) * constitutive_nonlocal_v(:,3,g,ip,el) * m_currentconf(2,:,3)
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cs = cs + ns
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case ('fluxdensity_screw_pos_z')
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constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,3) * constitutive_nonlocal_v(:,3,g,ip,el) * m_currentconf(3,:,3)
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cs = cs + ns
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case ('fluxdensity_screw_neg_x')
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constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,4) * constitutive_nonlocal_v(:,4,g,ip,el) * m_currentconf(1,:,4)
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cs = cs + ns
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case ('fluxdensity_screw_neg_y')
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constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,4) * constitutive_nonlocal_v(:,4,g,ip,el) * m_currentconf(2,:,4)
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cs = cs + ns
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case ('fluxdensity_screw_neg_z')
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constitutive_nonlocal_postResults(cs+1:cs+ns) = rhoSgl(:,4) * constitutive_nonlocal_v(:,4,g,ip,el) * m_currentconf(3,:,4)
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cs = cs + ns
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case ('d_upper_edge')
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constitutive_nonlocal_postResults(cs+1:cs+ns) = dUpper(:,1)
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cs = cs + ns
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case ('d_upper_screw')
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constitutive_nonlocal_postResults(cs+1:cs+ns) = dUpper(:,2)
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cs = cs + ns
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case ('d_upper_dot_edge')
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constitutive_nonlocal_postResults(cs+1:cs+ns) = dUpperDot(:,1)
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cs = cs + ns
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case ('d_upper_dot_screw')
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constitutive_nonlocal_postResults(cs+1:cs+ns) = dUpperDot(:,2)
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cs = cs + ns
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end select
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enddo
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endfunction
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END MODULE
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