!-------------------------------------------------------------------------------------------------- ! $Id$ !-------------------------------------------------------------------------------------------------- !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author David Cereceda, Lawrence Livermore National Laboratory !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @brief material subroutine incoprorating dislocation and twinning physics !> @details to be done !-------------------------------------------------------------------------------------------------- module constitutive_dislokmc use prec, only: & pReal, & pInt implicit none private integer(pInt), dimension(:), allocatable, public, protected :: & constitutive_dislokmc_sizePostResults !< cumulative size of post results integer(pInt), dimension(:,:), allocatable, target, public :: & constitutive_dislokmc_sizePostResult !< size of each post result output character(len=64), dimension(:,:), allocatable, target, public :: & constitutive_dislokmc_output !< name of each post result output character(len=12), dimension(3), parameter, private :: & CONSTITUTIVE_DISLOKMC_listBasicSlipStates = & ['rhoEdge ', 'rhoEdgeDip ', 'accshearslip'] character(len=12), dimension(2), parameter, private :: & CONSTITUTIVE_DISLOKMC_listBasicTwinStates = & ['twinFraction', 'accsheartwin'] character(len=17), dimension(4), parameter, private :: & CONSTITUTIVE_DISLOKMC_listDependentSlipStates = & ['invLambdaSlip ', 'invLambdaSlipTwin', 'meanFreePathSlip ', 'tauSlipThreshold '] character(len=16), dimension(4), parameter, private :: & CONSTITUTIVE_DISLOKMC_listDependentTwinStates = & ['invLambdaTwin ', 'meanFreePathTwin', 'tauTwinThreshold', 'twinVolume '] real(pReal), parameter, private :: & kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin integer(pInt), dimension(:), allocatable, target, public :: & constitutive_dislokmc_Noutput !< number of outputs per instance of this plasticity integer(pInt), dimension(:), allocatable, private :: & constitutive_dislokmc_totalNslip, & !< total number of active slip systems for each instance constitutive_dislokmc_totalNtwin !< total number of active twin systems for each instance integer(pInt), dimension(:,:), allocatable, private :: & constitutive_dislokmc_Nslip, & !< number of active slip systems for each family and instance constitutive_dislokmc_Ntwin !< number of active twin systems for each family and instance real(pReal), dimension(:), allocatable, private :: & constitutive_dislokmc_CAtomicVolume, & !< atomic volume in Bugers vector unit constitutive_dislokmc_D0, & !< prefactor for self-diffusion coefficient constitutive_dislokmc_Qsd, & !< activation energy for dislocation climb constitutive_dislokmc_GrainSize, & !< grain size constitutive_dislokmc_pShearBand, & !< p-exponent in shearband velocity constitutive_dislokmc_qShearBand, & !< q-exponent in shearband velocity constitutive_dislokmc_MaxTwinFraction, & !< maximum allowed total twin volume fraction constitutive_dislokmc_CEdgeDipMinDistance, & !< constitutive_dislokmc_Cmfptwin, & !< constitutive_dislokmc_Cthresholdtwin, & !< constitutive_dislokmc_SolidSolutionStrength, & !< Strength due to elements in solid solution constitutive_dislokmc_L0, & !< Length of twin nuclei in Burgers vectors constitutive_dislokmc_xc, & !< critical distance for formation of twin nucleus constitutive_dislokmc_VcrossSlip, & !< cross slip volume constitutive_dislokmc_sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) constitutive_dislokmc_sbVelocity, & !< value for shearband velocity_0 constitutive_dislokmc_sbQedge, & !< value for shearband systems Qedge constitutive_dislokmc_SFE_0K, & !< stacking fault energy at zero K constitutive_dislokmc_dSFE_dT, & !< temperature dependance of stacking fault energy constitutive_dislokmc_dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful constitutive_dislokmc_aTolRho, & !< absolute tolerance for integration of dislocation density constitutive_dislokmc_aTolTwinFrac !< absolute tolerance for integration of twin volume fraction real(pReal), dimension(:,:,:,:), allocatable, private :: & constitutive_dislokmc_Ctwin66 !< twin elasticity matrix in Mandel notation for each instance real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & constitutive_dislokmc_Ctwin3333 !< twin elasticity matrix for each instance real(pReal), dimension(:,:), allocatable, private :: & constitutive_dislokmc_rhoEdge0, & !< initial edge dislocation density per slip system for each family and instance constitutive_dislokmc_rhoEdgeDip0, & !< initial edge dipole density per slip system for each family and instance constitutive_dislokmc_burgersPerSlipFamily, & !< absolute length of burgers vector [m] for each slip family and instance constitutive_dislokmc_burgersPerSlipSystem, & !< absolute length of burgers vector [m] for each slip system and instance constitutive_dislokmc_burgersPerTwinFamily, & !< absolute length of burgers vector [m] for each twin family and instance constitutive_dislokmc_burgersPerTwinSystem, & !< absolute length of burgers vector [m] for each twin system and instance constitutive_dislokmc_QedgePerSlipFamily, & !< activation energy for glide [J] for each slip family and instance constitutive_dislokmc_QedgePerSlipSystem, & !< activation energy for glide [J] for each slip system and instance constitutive_dislokmc_v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance constitutive_dislokmc_v0PerSlipSystem, & !< dislocation velocity prefactor [m/s] for each slip system and instance constitutive_dislokmc_tau_peierlsPerSlipFamily, & !< Peierls stress [Pa] for each family and instance constitutive_dislokmc_Ndot0PerTwinFamily, & !< twin nucleation rate [1/m³s] for each twin family and instance constitutive_dislokmc_Ndot0PerTwinSystem, & !< twin nucleation rate [1/m³s] for each twin system and instance constitutive_dislokmc_tau_r, & !< stress to bring partial close together for each twin system and instance constitutive_dislokmc_twinsizePerTwinFamily, & !< twin thickness [m] for each twin family and instance constitutive_dislokmc_twinsizePerTwinSystem, & !< twin thickness [m] for each twin system and instance constitutive_dislokmc_CLambdaSlipPerSlipFamily, & !< Adj. parameter for distance between 2 forest dislocations for each slip family and instance constitutive_dislokmc_CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance constitutive_dislokmc_interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance constitutive_dislokmc_interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance constitutive_dislokmc_interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance constitutive_dislokmc_interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance constitutive_dislokmc_pPerSlipFamily, & !< p-exponent in glide velocity constitutive_dislokmc_qPerSlipFamily, & !< q-exponent in glide velocity constitutive_dislokmc_uPerSlipFamily, & !< u-exponent in glide velocity constitutive_dislokmc_vPerSlipFamily, & !< v-exponent in glide velocity constitutive_dislokmc_sPerSlipFamily, & !< self-hardening in glide velocity constitutive_dislokmc_rPerTwinFamily !< r-exponent in twin nucleation rate real(pReal), dimension(:,:,:), allocatable, private :: & constitutive_dislokmc_interactionMatrix_SlipSlip, & !< interaction matrix of the different slip systems for each instance constitutive_dislokmc_interactionMatrix_SlipTwin, & !< interaction matrix of slip systems with twin systems for each instance constitutive_dislokmc_interactionMatrix_TwinSlip, & !< interaction matrix of twin systems with slip systems for each instance constitutive_dislokmc_interactionMatrix_TwinTwin, & !< interaction matrix of the different twin systems for each instance constitutive_dislokmc_forestProjectionEdge !< matrix of forest projections of edge dislocations for each instance real(pReal), dimension(:,:,:,:,:), allocatable, private :: & constitutive_dislokmc_sbSv enum, bind(c) enumerator :: undefined_ID, & edge_density_ID, & dipole_density_ID, & shear_rate_slip_ID, & accumulated_shear_slip_ID, & mfp_slip_ID, & resolved_stress_slip_ID, & threshold_stress_slip_ID, & edge_dipole_distance_ID, & stress_exponent_ID, & twin_fraction_ID, & shear_rate_twin_ID, & accumulated_shear_twin_ID, & mfp_twin_ID, & resolved_stress_twin_ID, & threshold_stress_twin_ID, & resolved_stress_shearband_ID, & shear_rate_shearband_ID, & sb_eigenvalues_ID, & sb_eigenvectors_ID end enum integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & constitutive_dislokmc_outputID !< ID of each post result output public :: & constitutive_dislokmc_init, & constitutive_dislokmc_homogenizedC, & constitutive_dislokmc_microstructure, & constitutive_dislokmc_LpAndItsTangent, & constitutive_dislokmc_dotState, & constitutive_dislokmc_getAccumulatedSlip, & constitutive_dislokmc_getSlipRate, & constitutive_dislokmc_postResults private :: & constitutive_dislokmc_stateInit, & constitutive_dislokmc_aTolState contains !-------------------------------------------------------------------------------------------------- !> @brief module initialization !> @details reads in material parameters, allocates arrays, and does sanity checks !-------------------------------------------------------------------------------------------------- subroutine constitutive_dislokmc_init(fileUnit) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use debug, only: & debug_level,& debug_constitutive,& debug_levelBasic use math, only: & math_Mandel3333to66, & math_Voigt66to3333, & math_mul3x3 use mesh, only: & mesh_maxNips, & mesh_NcpElems use IO, only: & IO_read, & IO_lc, & IO_getTag, & IO_isBlank, & IO_stringPos, & IO_stringValue, & IO_floatValue, & IO_intValue, & IO_warning, & IO_error, & IO_timeStamp, & IO_EOF use material, only: & homogenization_maxNgrains, & phase_plasticity, & phase_plasticityInstance, & phase_Noutput, & PLASTICITY_DISLOKMC_label, & PLASTICITY_DISLOKMC_ID, & material_phase, & plasticState, & MATERIAL_partPhase use lattice use numerics,only: & worldrank, & numerics_integrator implicit none integer(pInt), intent(in) :: fileUnit integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions integer(pInt) :: maxNinstance,mySize=0_pInt,phase,maxTotalNslip,maxTotalNtwin,& f,instance,j,k,l,m,n,o,p,q,r,s,ns,nt, & Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & Nchunks_SlipFamilies, Nchunks_TwinFamilies, & index_myFamily, index_otherFamily integer(pInt) :: sizeState, sizeDotState integer(pInt) :: NofMyPhase character(len=65536) :: & tag = '', & line = '' real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOKMC_label//' init -+>>>' write(6,'(a)') ' $Id$' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" endif mainProcess maxNinstance = int(count(phase_plasticity == PLASTICITY_DISLOKMC_ID),pInt) if (maxNinstance == 0_pInt) return if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance allocate(constitutive_dislokmc_sizePostResults(maxNinstance), source=0_pInt) allocate(constitutive_dislokmc_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) allocate(constitutive_dislokmc_output(maxval(phase_Noutput),maxNinstance)) constitutive_dislokmc_output = '' allocate(constitutive_dislokmc_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) allocate(constitutive_dislokmc_Noutput(maxNinstance), source=0_pInt) allocate(constitutive_dislokmc_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) allocate(constitutive_dislokmc_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) allocate(constitutive_dislokmc_totalNslip(maxNinstance), source=0_pInt) allocate(constitutive_dislokmc_totalNtwin(maxNinstance), source=0_pInt) allocate(constitutive_dislokmc_CAtomicVolume(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_D0(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_Qsd(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_GrainSize(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_pShearBand(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_qShearBand(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_MaxTwinFraction(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_CEdgeDipMinDistance(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_Cmfptwin(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_Cthresholdtwin(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_SolidSolutionStrength(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_L0(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_xc(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_VcrossSlip(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_aTolRho(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_aTolTwinFrac(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_sbResistance(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_sbVelocity(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_sbQedge(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_SFE_0K(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_dSFE_dT(maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default allocate(constitutive_dislokmc_rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_burgersPerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_QedgePerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_tau_peierlsPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_pPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) allocate(constitutive_dislokmc_qPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) allocate(constitutive_dislokmc_uPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) allocate(constitutive_dislokmc_vPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) allocate(constitutive_dislokmc_sPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) allocate(constitutive_dislokmc_Ndot0PerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_twinsizePerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_CLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_rPerTwinFamily(lattice_maxNtwinFamily,maxNinstance),source=0.0_pReal) allocate(constitutive_dislokmc_interaction_SlipSlip(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_interaction_SlipTwin(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_interaction_TwinSlip(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_interaction_TwinTwin(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), & source=0.0_pReal) rewind(fileUnit) phase = 0_pInt do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to line = IO_read(fileUnit) enddo parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part line = IO_read(fileUnit) if (IO_isBlank(line)) cycle ! skip empty lines if (IO_getTag(line,'<','>') /= '') then ! stop at next part line = IO_read(fileUnit, .true.) ! reset IO_read exit endif if (IO_getTag(line,'[',']') /= '') then ! next phase section phase = phase + 1_pInt ! advance phase section counter if (phase_plasticity(phase) == PLASTICITY_DISLOKMC_ID) then Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt) Nchunks_TwinFamilies = count(lattice_NtwinSystem(:,phase) > 0_pInt) Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase)) Nchunks_SlipTwin = maxval(lattice_interactionSlipTwin(:,:,phase)) Nchunks_TwinSlip = maxval(lattice_interactionTwinSlip(:,:,phase)) Nchunks_TwinTwin = maxval(lattice_interactionTwinTwin(:,:,phase)) if(allocated(tempPerSlip)) deallocate(tempPerSlip) if(allocated(tempPerTwin)) deallocate(tempPerTwin) allocate(tempPerSlip(Nchunks_SlipFamilies)) allocate(tempPerTwin(Nchunks_TwinFamilies)) endif cycle ! skip to next line endif if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_DISLOKMC_ID) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase positions = IO_stringPos(line,MAXNCHUNKS) tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key select case(tag) case ('(output)') select case(IO_lc(IO_stringValue(line,positions,2_pInt))) case ('edge_density') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = edge_density_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('dipole_density') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = dipole_density_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('shear_rate_slip') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = shear_rate_slip_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('accumulated_shear_slip') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = accumulated_shear_slip_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('mfp_slip') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = mfp_slip_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('resolved_stress_slip') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = resolved_stress_slip_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('edge_dipole_distance') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = edge_dipole_distance_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('stress_exponent') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = stress_exponent_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('twin_fraction') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = twin_fraction_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('shear_rate_twin') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = shear_rate_twin_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('accumulated_shear_twin') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = accumulated_shear_twin_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('mfp_twin') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = mfp_twin_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('resolved_stress_twin') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = resolved_stress_twin_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('threshold_stress_twin') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = threshold_stress_twin_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('resolved_stress_shearband') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = resolved_stress_shearband_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('shear_rate_shearband') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = shear_rate_shearband_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('sb_eigenvalues') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = sb_eigenvalues_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) case ('sb_eigenvectors') constitutive_dislokmc_Noutput(instance) = constitutive_dislokmc_Noutput(instance) + 1_pInt constitutive_dislokmc_outputID(constitutive_dislokmc_Noutput(instance),instance) = sb_eigenvectors_ID constitutive_dislokmc_output(constitutive_dislokmc_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,positions,2_pInt)) end select !-------------------------------------------------------------------------------------------------- ! parameters depending on number of slip system families case ('nslip') if (positions(1) < Nchunks_SlipFamilies + 1_pInt) & call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOKMC_label//')') if (positions(1) > Nchunks_SlipFamilies + 1_pInt) & call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOKMC_label//')') Nchunks_SlipFamilies = positions(1) - 1_pInt do j = 1_pInt, Nchunks_SlipFamilies constitutive_dislokmc_Nslip(j,instance) = IO_intValue(line,positions,1_pInt+j) enddo case ('rhoedge0','rhoedgedip0','slipburgers','qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip',& 'u_slip','v_slip','s_slip') do j = 1_pInt, Nchunks_SlipFamilies tempPerSlip(j) = IO_floatValue(line,positions,1_pInt+j) enddo select case(tag) case ('rhoedge0') constitutive_dislokmc_rhoEdge0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('rhoedgedip0') constitutive_dislokmc_rhoEdgeDip0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('slipburgers') constitutive_dislokmc_burgersPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('qedge') constitutive_dislokmc_QedgePerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('v0') constitutive_dislokmc_v0PerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('clambdaslip') constitutive_dislokmc_CLambdaSlipPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('tau_peierls') if (lattice_structure(phase) /= LATTICE_bcc_ID) & call IO_warning(42_pInt,ext_msg=trim(tag)//' for non-bcc ('//PLASTICITY_DISLOKMC_label//')') constitutive_dislokmc_tau_peierlsPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('p_slip') constitutive_dislokmc_pPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('q_slip') constitutive_dislokmc_qPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('u_slip') constitutive_dislokmc_uPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('v_slip') constitutive_dislokmc_vPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('s_slip') constitutive_dislokmc_sPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) end select !-------------------------------------------------------------------------------------------------- ! parameters depending on slip number of twin families case ('ntwin') if (positions(1) < Nchunks_TwinFamilies + 1_pInt) & call IO_warning(51_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOKMC_label//')') if (positions(1) > Nchunks_TwinFamilies + 1_pInt) & call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOKMC_label//')') Nchunks_TwinFamilies = positions(1) - 1_pInt do j = 1_pInt, Nchunks_TwinFamilies constitutive_dislokmc_Ntwin(j,instance) = IO_intValue(line,positions,1_pInt+j) enddo case ('ndot0','twinsize','twinburgers','r_twin') do j = 1_pInt, Nchunks_TwinFamilies tempPerTwin(j) = IO_floatValue(line,positions,1_pInt+j) enddo select case(tag) case ('ndot0') if (lattice_structure(phase) == LATTICE_fcc_ID) & call IO_warning(42_pInt,ext_msg=trim(tag)//' for fcc ('//PLASTICITY_DISLOKMC_label//')') constitutive_dislokmc_Ndot0PerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) case ('twinsize') constitutive_dislokmc_twinsizePerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) case ('twinburgers') constitutive_dislokmc_burgersPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) case ('r_twin') constitutive_dislokmc_rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) end select !-------------------------------------------------------------------------------------------------- ! parameters depending on number of interactions case ('interaction_slipslip','interactionslipslip') if (positions(1) < 1_pInt + Nchunks_SlipSlip) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOKMC_label//')') do j = 1_pInt, Nchunks_SlipSlip constitutive_dislokmc_interaction_SlipSlip(j,instance) = IO_floatValue(line,positions,1_pInt+j) enddo case ('interaction_sliptwin','interactionsliptwin') if (positions(1) < 1_pInt + Nchunks_SlipTwin) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOKMC_label//')') do j = 1_pInt, Nchunks_SlipTwin constitutive_dislokmc_interaction_SlipTwin(j,instance) = IO_floatValue(line,positions,1_pInt+j) enddo case ('interaction_twinslip','interactiontwinslip') if (positions(1) < 1_pInt + Nchunks_TwinSlip) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOKMC_label//')') do j = 1_pInt, Nchunks_TwinSlip constitutive_dislokmc_interaction_TwinSlip(j,instance) = IO_floatValue(line,positions,1_pInt+j) enddo case ('interaction_twintwin','interactiontwintwin') if (positions(1) < 1_pInt + Nchunks_TwinTwin) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOKMC_label//')') do j = 1_pInt, Nchunks_TwinTwin constitutive_dislokmc_interaction_TwinTwin(j,instance) = IO_floatValue(line,positions,1_pInt+j) enddo !-------------------------------------------------------------------------------------------------- ! parameters independent of number of slip/twin systems case ('grainsize') constitutive_dislokmc_GrainSize(instance) = IO_floatValue(line,positions,2_pInt) case ('maxtwinfraction') constitutive_dislokmc_MaxTwinFraction(instance) = IO_floatValue(line,positions,2_pInt) case ('p_shearband') constitutive_dislokmc_pShearBand(instance) = IO_floatValue(line,positions,2_pInt) case ('q_shearband') constitutive_dislokmc_qShearBand(instance) = IO_floatValue(line,positions,2_pInt) case ('d0') constitutive_dislokmc_D0(instance) = IO_floatValue(line,positions,2_pInt) case ('qsd') constitutive_dislokmc_Qsd(instance) = IO_floatValue(line,positions,2_pInt) case ('atol_rho') constitutive_dislokmc_aTolRho(instance) = IO_floatValue(line,positions,2_pInt) case ('atol_twinfrac') constitutive_dislokmc_aTolTwinFrac(instance) = IO_floatValue(line,positions,2_pInt) case ('cmfptwin') constitutive_dislokmc_Cmfptwin(instance) = IO_floatValue(line,positions,2_pInt) case ('cthresholdtwin') constitutive_dislokmc_Cthresholdtwin(instance) = IO_floatValue(line,positions,2_pInt) case ('solidsolutionstrength') constitutive_dislokmc_SolidSolutionStrength(instance) = IO_floatValue(line,positions,2_pInt) case ('l0') constitutive_dislokmc_L0(instance) = IO_floatValue(line,positions,2_pInt) case ('xc') constitutive_dislokmc_xc(instance) = IO_floatValue(line,positions,2_pInt) case ('vcrossslip') constitutive_dislokmc_VcrossSlip(instance) = IO_floatValue(line,positions,2_pInt) case ('cedgedipmindistance') constitutive_dislokmc_CEdgeDipMinDistance(instance) = IO_floatValue(line,positions,2_pInt) case ('catomicvolume') constitutive_dislokmc_CAtomicVolume(instance) = IO_floatValue(line,positions,2_pInt) case ('sfe_0k') constitutive_dislokmc_SFE_0K(instance) = IO_floatValue(line,positions,2_pInt) case ('dsfe_dt') constitutive_dislokmc_dSFE_dT(instance) = IO_floatValue(line,positions,2_pInt) case ('dipoleformationfactor') constitutive_dislokmc_dipoleFormationFactor(instance) = IO_floatValue(line,positions,2_pInt) case ('shearbandresistance') constitutive_dislokmc_sbResistance(instance) = IO_floatValue(line,positions,2_pInt) case ('shearbandvelocity') constitutive_dislokmc_sbVelocity(instance) = IO_floatValue(line,positions,2_pInt) case ('qedgepersbsystem') constitutive_dislokmc_sbQedge(instance) = IO_floatValue(line,positions,2_pInt) end select endif; endif enddo parsingFile sanityChecks: do phase = 1_pInt, size(phase_plasticity) myPhase: if (phase_plasticity(phase) == PLASTICITY_dislokmc_ID) then instance = phase_plasticityInstance(phase) if (sum(constitutive_dislokmc_Nslip(:,instance)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Nslip ('//PLASTICITY_DISLOKMC_label//')') if (sum(constitutive_dislokmc_Ntwin(:,instance)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Ntwin ('//PLASTICITY_DISLOKMC_label//')') do f = 1_pInt,lattice_maxNslipFamily if (constitutive_dislokmc_Nslip(f,instance) > 0_pInt) then if (constitutive_dislokmc_rhoEdge0(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_rhoEdgeDip0(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_burgersPerSlipFamily(f,instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_v0PerSlipFamily(f,instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOKMC_label//')') endif enddo do f = 1_pInt,lattice_maxNtwinFamily if (constitutive_dislokmc_Ntwin(f,instance) > 0_pInt) then if (constitutive_dislokmc_burgersPerTwinFamily(f,instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='ndot0 ('//PLASTICITY_DISLOKMC_label//')') endif enddo if (constitutive_dislokmc_CAtomicVolume(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_D0(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_Qsd(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOKMC_label//')') if (sum(constitutive_dislokmc_Ntwin(:,instance)) > 0_pInt) then if (constitutive_dislokmc_SFE_0K(instance) == 0.0_pReal .and. & constitutive_dislokmc_dSFE_dT(instance) == 0.0_pReal .and. & lattice_structure(phase) == LATTICE_fcc_ID) & call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_aTolRho(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_aTolTwinFrac(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOKMC_label//')') endif if (constitutive_dislokmc_sbResistance(instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_sbVelocity(instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_sbVelocity(instance) > 0.0_pReal .and. & constitutive_dislokmc_pShearBand(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_dipoleFormationFactor(instance) /= 0.0_pReal .and. & constitutive_dislokmc_dipoleFormationFactor(instance) /= 1.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOKMC_label//')') if (constitutive_dislokmc_sbVelocity(instance) > 0.0_pReal .and. & constitutive_dislokmc_qShearBand(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOKMC_label//')') !-------------------------------------------------------------------------------------------------- ! Determine total number of active slip or twin systems constitutive_dislokmc_Nslip(:,instance) = min(lattice_NslipSystem(:,phase),constitutive_dislokmc_Nslip(:,instance)) constitutive_dislokmc_Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),constitutive_dislokmc_Ntwin(:,instance)) constitutive_dislokmc_totalNslip(instance) = sum(constitutive_dislokmc_Nslip(:,instance)) constitutive_dislokmc_totalNtwin(instance) = sum(constitutive_dislokmc_Ntwin(:,instance)) endif myPhase enddo sanityChecks !-------------------------------------------------------------------------------------------------- ! allocation of variables whose size depends on the total number of active slip systems maxTotalNslip = maxval(constitutive_dislokmc_totalNslip) maxTotalNtwin = maxval(constitutive_dislokmc_totalNtwin) allocate(constitutive_dislokmc_burgersPerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_burgersPerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_QedgePerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_v0PerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_tau_r(maxTotalNtwin, maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_twinsizePerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_CLambdaSlipPerSlipSystem(maxTotalNslip, maxNinstance),source=0.0_pReal) allocate(constitutive_dislokmc_interactionMatrix_SlipSlip(maxval(constitutive_dislokmc_totalNslip),& ! slip resistance from slip activity maxval(constitutive_dislokmc_totalNslip),& maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_interactionMatrix_SlipTwin(maxval(constitutive_dislokmc_totalNslip),& ! slip resistance from twin activity maxval(constitutive_dislokmc_totalNtwin),& maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_interactionMatrix_TwinSlip(maxval(constitutive_dislokmc_totalNtwin),& ! twin resistance from slip activity maxval(constitutive_dislokmc_totalNslip),& maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_interactionMatrix_TwinTwin(maxval(constitutive_dislokmc_totalNtwin),& ! twin resistance from twin activity maxval(constitutive_dislokmc_totalNtwin),& maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance), & source=0.0_pReal) allocate(constitutive_dislokmc_Ctwin66(6,6,maxTotalNtwin,maxNinstance), source=0.0_pReal) allocate(constitutive_dislokmc_Ctwin3333(3,3,3,3,maxTotalNtwin,maxNinstance), source=0.0_pReal) initializeInstances: do phase = 1_pInt, size(phase_plasticity) myPhase2: if (phase_plasticity(phase) == PLASTICITY_dislokmc_ID) then NofMyPhase=count(material_phase==phase) instance = phase_plasticityInstance(phase) ns = constitutive_dislokmc_totalNslip(instance) nt = constitutive_dislokmc_totalNtwin(instance) !-------------------------------------------------------------------------------------------------- ! Determine size of postResults array outputsLoop: do o = 1_pInt,constitutive_dislokmc_Noutput(instance) select case(constitutive_dislokmc_outputID(o,instance)) case(edge_density_ID, & dipole_density_ID, & shear_rate_slip_ID, & accumulated_shear_slip_ID, & mfp_slip_ID, & resolved_stress_slip_ID, & threshold_stress_slip_ID, & edge_dipole_distance_ID, & stress_exponent_ID & ) mySize = ns case(twin_fraction_ID, & shear_rate_twin_ID, & accumulated_shear_twin_ID, & mfp_twin_ID, & resolved_stress_twin_ID, & threshold_stress_twin_ID & ) mySize = nt case(resolved_stress_shearband_ID, & shear_rate_shearband_ID & ) mySize = 6_pInt case(sb_eigenvalues_ID) mySize = 3_pInt case(sb_eigenvectors_ID) mySize = 9_pInt end select if (mySize > 0_pInt) then ! any meaningful output found constitutive_dislokmc_sizePostResult(o,instance) = mySize constitutive_dislokmc_sizePostResults(instance) = constitutive_dislokmc_sizePostResults(instance) + mySize endif enddo outputsLoop !-------------------------------------------------------------------------------------------------- ! allocate state arrays sizeDotState = int(size(CONSTITUTIVE_DISLOKMC_listBasicSlipStates),pInt) * ns & + int(size(CONSTITUTIVE_DISLOKMC_listBasicTwinStates),pInt) * nt sizeState = sizeDotState & + int(size(CONSTITUTIVE_DISLOKMC_listDependentSlipStates),pInt) * ns & + int(size(CONSTITUTIVE_DISLOKMC_listDependentTwinStates),pInt) * nt plasticState(phase)%sizeState = sizeState plasticState(phase)%sizeDotState = sizeDotState allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal) allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%state_backup (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%deltaState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%dotState_backup (sizeDotState,NofMyPhase), source=0.0_pReal) if (any(numerics_integrator == 1_pInt)) then allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) endif if (any(numerics_integrator == 4_pInt)) & allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) if (any(numerics_integrator == 5_pInt)) & allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) !* Process slip related parameters ------------------------------------------------ slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(constitutive_dislokmc_Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list slipSystemsLoop: do j = 1_pInt,constitutive_dislokmc_Nslip(f,instance) !* Burgers vector, ! dislocation velocity prefactor, ! mean free path prefactor, ! and minimum dipole distance constitutive_dislokmc_burgersPerSlipSystem(index_myFamily+j,instance) = & constitutive_dislokmc_burgersPerSlipFamily(f,instance) constitutive_dislokmc_QedgePerSlipSystem(index_myFamily+j,instance) = & constitutive_dislokmc_QedgePerSlipFamily(f,instance) constitutive_dislokmc_v0PerSlipSystem(index_myFamily+j,instance) = & constitutive_dislokmc_v0PerSlipFamily(f,instance) constitutive_dislokmc_CLambdaSlipPerSlipSystem(index_myFamily+j,instance) = & constitutive_dislokmc_CLambdaSlipPerSlipFamily(f,instance) !* Calculation of forest projections for edge dislocations !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily index_otherFamily = sum(constitutive_dislokmc_Nslip(1:o-1_pInt,instance)) do k = 1_pInt,constitutive_dislokmc_Nslip(o,instance) ! loop over (active) systems in other family (slip) constitutive_dislokmc_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,phase))+j,phase), & lattice_st(:,sum(lattice_NslipSystem(1:o-1,phase))+k,phase))) constitutive_dislokmc_interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_dislokmc_interaction_SlipSlip(lattice_interactionSlipSlip( & sum(lattice_NslipSystem(1:f-1,phase))+j, & sum(lattice_NslipSystem(1:o-1,phase))+k, & phase), instance ) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily index_otherFamily = sum(constitutive_dislokmc_Ntwin(1:o-1_pInt,instance)) do k = 1_pInt,constitutive_dislokmc_Ntwin(o,instance) ! loop over (active) systems in other family (twin) constitutive_dislokmc_interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_dislokmc_interaction_SlipTwin(lattice_interactionSlipTwin( & sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, & phase), instance ) enddo; enddo enddo slipSystemsLoop enddo slipFamiliesLoop !* Process twin related parameters ------------------------------------------------ twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily index_myFamily = sum(constitutive_dislokmc_Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list twinSystemsLoop: do j = 1_pInt,constitutive_dislokmc_Ntwin(f,instance) !* Burgers vector, ! nucleation rate prefactor, ! and twin size constitutive_dislokmc_burgersPerTwinSystem(index_myFamily+j,instance) = & constitutive_dislokmc_burgersPerTwinFamily(f,instance) constitutive_dislokmc_Ndot0PerTwinSystem(index_myFamily+j,instance) = & constitutive_dislokmc_Ndot0PerTwinFamily(f,instance) constitutive_dislokmc_twinsizePerTwinSystem(index_myFamily+j,instance) = & constitutive_dislokmc_twinsizePerTwinFamily(f,instance) !* Rotate twin elasticity matrices index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! index in full lattice twin list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt do p = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt constitutive_dislokmc_Ctwin3333(l,m,n,o,index_myFamily+j,instance) = & constitutive_dislokmc_Ctwin3333(l,m,n,o,index_myFamily+j,instance) + & lattice_C3333(p,q,r,s,instance) * & lattice_Qtwin(l,p,index_otherFamily+j,phase) * & lattice_Qtwin(m,q,index_otherFamily+j,phase) * & lattice_Qtwin(n,r,index_otherFamily+j,phase) * & lattice_Qtwin(o,s,index_otherFamily+j,phase) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo constitutive_dislokmc_Ctwin66(1:6,1:6,index_myFamily+j,instance) = & math_Mandel3333to66(constitutive_dislokmc_Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily index_otherFamily = sum(constitutive_dislokmc_Nslip(1:o-1_pInt,instance)) do k = 1_pInt,constitutive_dislokmc_Nslip(o,instance) ! loop over (active) systems in other family (slip) constitutive_dislokmc_interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_dislokmc_interaction_TwinSlip(lattice_interactionTwinSlip( & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & sum(lattice_NslipSystem(1:o-1_pInt,phase))+k, & phase), instance ) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily index_otherFamily = sum(constitutive_dislokmc_Ntwin(1:o-1_pInt,instance)) do k = 1_pInt,constitutive_dislokmc_Ntwin(o,instance) ! loop over (active) systems in other family (twin) constitutive_dislokmc_interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_dislokmc_interaction_TwinTwin(lattice_interactionTwinTwin( & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, & phase), instance ) enddo; enddo enddo twinSystemsLoop enddo twinFamiliesLoop call constitutive_dislokmc_stateInit(phase,instance) call constitutive_dislokmc_aTolState(phase,instance) endif myPhase2 enddo initializeInstances end subroutine constitutive_dislokmc_init !-------------------------------------------------------------------------------------------------- !> @brief sets the relevant state values for a given instance of this plasticity !-------------------------------------------------------------------------------------------------- subroutine constitutive_dislokmc_stateInit(ph,instance) use math, only: & pi use lattice, only: & lattice_maxNslipFamily, & lattice_structure, & lattice_mu, & lattice_bcc_ID use material, only: & plasticState implicit none integer(pInt), intent(in) :: & instance, & !< number specifying the instance of the plasticity ph real(pReal), dimension(plasticState(ph)%sizeState) :: tempState integer(pInt) :: i,j,f,ns,nt, index_myFamily real(pReal), dimension(constitutive_dislokmc_totalNslip(instance)) :: & rhoEdge0, & rhoEdgeDip0, & invLambdaSlip0, & MeanFreePathSlip0, & tauSlipThreshold0 real(pReal), dimension(constitutive_dislokmc_totalNtwin(instance)) :: & MeanFreePathTwin0,TwinVolume0 tempState = 0.0_pReal ns = constitutive_dislokmc_totalNslip(instance) nt = constitutive_dislokmc_totalNtwin(instance) !-------------------------------------------------------------------------------------------------- ! initialize basic slip state variables do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(constitutive_dislokmc_Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list rhoEdge0(index_myFamily+1_pInt: & index_myFamily+constitutive_dislokmc_Nslip(f,instance)) = & constitutive_dislokmc_rhoEdge0(f,instance) rhoEdgeDip0(index_myFamily+1_pInt: & index_myFamily+constitutive_dislokmc_Nslip(f,instance)) = & constitutive_dislokmc_rhoEdgeDip0(f,instance) enddo tempState(1_pInt:ns) = rhoEdge0 tempState(ns+1_pInt:2_pInt*ns) = rhoEdgeDip0 !-------------------------------------------------------------------------------------------------- ! initialize dependent slip microstructural variables forall (i = 1_pInt:ns) & invLambdaSlip0(i) = sqrt(dot_product((rhoEdge0+rhoEdgeDip0),constitutive_dislokmc_forestProjectionEdge(1:ns,i,instance)))/ & constitutive_dislokmc_CLambdaSlipPerSlipSystem(i,instance) tempState(3_pInt*ns+2_pInt*nt+1:4_pInt*ns+2_pInt*nt) = invLambdaSlip0 forall (i = 1_pInt:ns) & MeanFreePathSlip0(i) = & constitutive_dislokmc_GrainSize(instance)/(1.0_pReal+invLambdaSlip0(i)*constitutive_dislokmc_GrainSize(instance)) tempState(5_pInt*ns+3_pInt*nt+1:6_pInt*ns+3_pInt*nt) = MeanFreePathSlip0 forall (i = 1_pInt:ns) & tauSlipThreshold0(i) = & lattice_mu(ph)*constitutive_dislokmc_burgersPerSlipSystem(i,instance) * & sqrt(dot_product((rhoEdge0+rhoEdgeDip0),constitutive_dislokmc_interactionMatrix_SlipSlip(i,1:ns,instance))) tempState(6_pInt*ns+4_pInt*nt+1:7_pInt*ns+4_pInt*nt) = tauSlipThreshold0 !-------------------------------------------------------------------------------------------------- ! initialize dependent twin microstructural variables forall (j = 1_pInt:nt) & MeanFreePathTwin0(j) = constitutive_dislokmc_GrainSize(instance) tempState(6_pInt*ns+3_pInt*nt+1_pInt:6_pInt*ns+4_pInt*nt) = MeanFreePathTwin0 forall (j = 1_pInt:nt) & TwinVolume0(j) = & (pi/4.0_pReal)*constitutive_dislokmc_twinsizePerTwinSystem(j,instance)*MeanFreePathTwin0(j)**(2.0_pReal) tempState(7_pInt*ns+5_pInt*nt+1_pInt:7_pInt*ns+6_pInt*nt) = TwinVolume0 plasticState(ph)%state0 = spread(tempState,2,size(plasticState(ph)%state(1,:))) end subroutine constitutive_dislokmc_stateInit !-------------------------------------------------------------------------------------------------- !> @brief sets the relevant state values for a given instance of this plasticity !-------------------------------------------------------------------------------------------------- subroutine constitutive_dislokmc_aTolState(ph,instance) use material, only: & plasticState implicit none integer(pInt), intent(in) :: & ph, & instance ! number specifying the current instance of the plasticity ! Tolerance state for dislocation densities plasticState(ph)%aTolState(1_pInt:2_pInt*constitutive_dislokmc_totalNslip(instance)) = & constitutive_dislokmc_aTolRho(instance) ! Tolerance state for accumulated shear due to slip plasticState(ph)%aTolState(2_pInt*constitutive_dislokmc_totalNslip(instance)+1_pInt: & 3_pInt*constitutive_dislokmc_totalNslip(instance))=1e6_pReal ! Tolerance state for twin volume fraction plasticState(ph)%aTolState(3_pInt*constitutive_dislokmc_totalNslip(instance)+1_pInt: & 3_pInt*constitutive_dislokmc_totalNslip(instance)+& constitutive_dislokmc_totalNtwin(instance)) = & constitutive_dislokmc_aTolTwinFrac(instance) ! Tolerance state for accumulated shear due to twin plasticState(ph)%aTolState(3_pInt*constitutive_dislokmc_totalNslip(instance)+ & constitutive_dislokmc_totalNtwin(instance)+1_pInt: & 3_pInt*constitutive_dislokmc_totalNslip(instance)+ & 2_pInt*constitutive_dislokmc_totalNtwin(instance)) = 1e6_pReal end subroutine constitutive_dislokmc_aTolState !-------------------------------------------------------------------------------------------------- !> @brief returns the homogenized elasticity matrix !-------------------------------------------------------------------------------------------------- function constitutive_dislokmc_homogenizedC(ipc,ip,el) use mesh, only: & mesh_NcpElems, & mesh_maxNips use material, only: & homogenization_maxNgrains, & material_phase, & phase_plasticityInstance, & plasticState, & mappingConstitutive use lattice, only: & lattice_C66 implicit none real(pReal), dimension(6,6) :: & constitutive_dislokmc_homogenizedC integer(pInt), intent(in) :: & ipc, & !< component-ID of integration point ip, & !< integration point el !< element integer(pInt) :: instance,ns,nt,i, & ph, & of real(pReal) :: sumf !* Shortened notation of = mappingConstitutive(1,ipc,ip,el) ph = mappingConstitutive(2,ipc,ip,el) instance = phase_plasticityInstance(ph) ns = constitutive_dislokmc_totalNslip(instance) nt = constitutive_dislokmc_totalNtwin(instance) !* Total twin volume fraction sumf = sum(plasticState(ph)%state((3_pInt*ns+1_pInt):(3_pInt*ns+nt),of)) ! safe for nt == 0 !* Homogenized elasticity matrix constitutive_dislokmc_homogenizedC = (1.0_pReal-sumf)*lattice_C66(1:6,1:6,ph) do i=1_pInt,nt constitutive_dislokmc_homogenizedC = constitutive_dislokmc_homogenizedC & + plasticState(ph)%state(3_pInt*ns+i, of)*constitutive_dislokmc_Ctwin66(1:6,1:6,i,instance) enddo end function constitutive_dislokmc_homogenizedC !-------------------------------------------------------------------------------------------------- !> @brief calculates derived quantities from state !-------------------------------------------------------------------------------------------------- subroutine constitutive_dislokmc_microstructure(temperature,ipc,ip,el) use math, only: & pi use mesh, only: & mesh_NcpElems, & mesh_maxNips use material, only: & homogenization_maxNgrains, & material_phase, & phase_plasticityInstance, & plasticState, & mappingConstitutive use lattice, only: & lattice_structure, & lattice_mu, & lattice_nu, & lattice_bcc_ID, & lattice_maxNslipFamily implicit none integer(pInt), intent(in) :: & ipc, & !< component-ID of integration point ip, & !< integration point el !< element real(pReal), intent(in) :: & temperature !< temperature at IP integer(pInt) :: & instance, & ns,nt,s,t, & ph, & of real(pReal) :: & sumf,sfe,x0 real(pReal), dimension(constitutive_dislokmc_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: fOverStacksize !* Shortened notation of = mappingConstitutive(1,ipc,ip,el) ph = mappingConstitutive(2,ipc,ip,el) instance = phase_plasticityInstance(ph) ns = constitutive_dislokmc_totalNslip(instance) nt = constitutive_dislokmc_totalNtwin(instance) !* State: 1 : ns rho_edge !* State: ns+1 : 2*ns rho_dipole !* State: 2*ns+1 : 3*ns accumulated shear due to slip !* State: 3*ns+1 : 3*ns+nt f !* State: 3*ns+nt+1 : 3*ns+2*nt accumulated shear due to twin !* State: 3*ns+2*nt+1 : 4*ns+2*nt 1/lambda_slip !* State: 4*ns+2*nt+1 : 5*ns+2*nt 1/lambda_sliptwin !* State: 5*ns+2*nt+1 : 5*ns+3*nt 1/lambda_twin !* State: 5*ns+3*nt+1 : 6*ns+3*nt mfp_slip !* State: 6*ns+3*nt+1 : 6*ns+4*nt mfp_twin !* State: 6*ns+4*nt+1 : 7*ns+4*nt threshold_stress_slip !* State: 7*ns+4*nt+1 : 7*ns+5*nt threshold_stress_twin !* State: 7*ns+5*nt+1 : 7*ns+6*nt twin volume !* Total twin volume fraction sumf = sum(plasticState(ph)%state((3*ns+1):(3*ns+nt), of)) ! safe for nt == 0 !* Stacking fault energy sfe = constitutive_dislokmc_SFE_0K(instance) + & constitutive_dislokmc_dSFE_dT(instance) * Temperature !* rescaled twin volume fraction for topology forall (t = 1_pInt:nt) & fOverStacksize(t) = & plasticState(ph)%state(3_pInt*ns+t, of)/constitutive_dislokmc_twinsizePerTwinSystem(t,instance) !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation forall (s = 1_pInt:ns) & plasticState(ph)%state(3_pInt*ns+2_pInt*nt+s, of) = & sqrt(dot_product((plasticState(ph)%state(1:ns,of)+plasticState(ph)%state(ns+1_pInt:2_pInt*ns,of)),& constitutive_dislokmc_forestProjectionEdge(1:ns,s,instance)))/ & constitutive_dislokmc_CLambdaSlipPerSlipSystem(s,instance) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) plasticState(ph)%state((4_pInt*ns+2_pInt*nt+1_pInt):(5_pInt*ns+2_pInt*nt), of) = 0.0_pReal if (nt > 0_pInt .and. ns > 0_pInt) & plasticState(ph)%state((4_pInt*ns+2_pInt*nt+1):(5_pInt*ns+2_pInt*nt), of) = & matmul(constitutive_dislokmc_interactionMatrix_SlipTwin(1:ns,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) !$OMP END CRITICAL (evilmatmul) !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin !$OMP CRITICAL (evilmatmul) if (nt > 0_pInt) & plasticState(ph)%state((5_pInt*ns+2_pInt*nt+1_pInt):(5_pInt*ns+3_pInt*nt), of) = & matmul(constitutive_dislokmc_interactionMatrix_TwinTwin(1:nt,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) !$OMP END CRITICAL (evilmatmul) !* mean free path between 2 obstacles seen by a moving dislocation do s = 1_pInt,ns if (nt > 0_pInt) then plasticState(ph)%state(5_pInt*ns+3_pInt*nt+s, of) = & constitutive_dislokmc_GrainSize(instance)/(1.0_pReal+constitutive_dislokmc_GrainSize(instance)*& (plasticState(ph)%state(3_pInt*ns+2_pInt*nt+s, of)+plasticState(ph)%state(4_pInt*ns+2_pInt*nt+s, of))) else plasticState(ph)%state(5_pInt*ns+s, of) = & constitutive_dislokmc_GrainSize(instance)/& (1.0_pReal+constitutive_dislokmc_GrainSize(instance)*(plasticState(ph)%state(3_pInt*ns+s, of))) endif enddo !* mean free path between 2 obstacles seen by a growing twin forall (t = 1_pInt:nt) & plasticState(ph)%state(6_pInt*ns+3_pInt*nt+t, of) = & (constitutive_dislokmc_Cmfptwin(instance)*constitutive_dislokmc_GrainSize(instance))/& (1.0_pReal+constitutive_dislokmc_GrainSize(instance)*plasticState(ph)%state(5_pInt*ns+2_pInt*nt+t, of)) !* threshold stress for dislocation motion forall (s = 1_pInt:ns) & plasticState(ph)%state(6_pInt*ns+4_pInt*nt+s, of) = & lattice_mu(ph)*constitutive_dislokmc_burgersPerSlipSystem(s,instance)*& sqrt(dot_product((plasticState(ph)%state(1:ns, of)+plasticState(ph)%state(ns+1_pInt:2_pInt*ns, of)),& constitutive_dislokmc_interactionMatrix_SlipSlip(s,1:ns,instance))) !* threshold stress for growing twin forall (t = 1_pInt:nt) & plasticState(ph)%state(7_pInt*ns+4_pInt*nt+t, of) = & constitutive_dislokmc_Cthresholdtwin(instance)*& (sfe/(3.0_pReal*constitutive_dislokmc_burgersPerTwinSystem(t,instance))+& 3.0_pReal*constitutive_dislokmc_burgersPerTwinSystem(t,instance)*lattice_mu(ph)/& (constitutive_dislokmc_L0(instance)*constitutive_dislokmc_burgersPerSlipSystem(t,instance))) !* final twin volume after growth forall (t = 1_pInt:nt) & plasticState(ph)%state(7_pInt*ns+5_pInt*nt+t, of) = & (pi/4.0_pReal)*constitutive_dislokmc_twinsizePerTwinSystem(t,instance)*plasticState(ph)%state(6*ns+3*nt+t, of)**(2.0_pReal) !* equilibrium seperation of partial dislocations do t = 1_pInt,nt x0 = lattice_mu(ph)*constitutive_dislokmc_burgersPerTwinSystem(t,instance)**(2.0_pReal)/& (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) constitutive_dislokmc_tau_r(t,instance)= & lattice_mu(ph)*constitutive_dislokmc_burgersPerTwinSystem(t,instance)/(2.0_pReal*pi)*& (1/(x0+constitutive_dislokmc_xc(instance))+cos(pi/3.0_pReal)/x0) !!! used where?? enddo end subroutine constitutive_dislokmc_microstructure !-------------------------------------------------------------------------------------------------- !> @brief calculates plastic velocity gradient and its tangent !-------------------------------------------------------------------------------------------------- subroutine constitutive_dislokmc_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,ipc,ip,el) use prec, only: & tol_math_check use math, only: & math_Plain3333to99, & math_Mandel6to33, & math_Mandel33to6, & math_spectralDecompositionSym33, & math_tensorproduct, & math_symmetric33, & math_mul33x3 use mesh, only: & mesh_NcpElems, & mesh_maxNips use material, only: & homogenization_maxNgrains, & material_phase, & phase_plasticityInstance, & plasticState, & mappingConstitutive use lattice, only: & lattice_Sslip, & lattice_Sslip_v, & lattice_Stwin, & lattice_Stwin_v, & lattice_maxNslipFamily,& lattice_maxNtwinFamily, & lattice_NslipSystem, & lattice_NtwinSystem, & lattice_shearTwin, & lattice_structure, & lattice_fcc_twinNucleationSlipPair, & LATTICE_fcc_ID implicit none integer(pInt), intent(in) :: ipc,ip,el real(pReal), intent(in) :: Temperature real(pReal), dimension(6), intent(in) :: Tstar_v real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(9,9), intent(out) :: dLp_dTstar integer(pInt) :: instance,ph,of,ns,nt,f,i,j,k,l,m,n,index_myFamily,s1,s2 real(pReal) :: sumf,StressRatio_p,StressRatio_pminus1,StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0, & StressRatio_u,StressRatio_uminus1 real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 real(pReal), dimension(constitutive_dislokmc_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_slip,dgdot_dtauslip,tau_slip,vel_slip,dvel_slip real(pReal), dimension(constitutive_dislokmc_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_twin,dgdot_dtautwin,tau_twin real(pReal), dimension(6) :: gdot_sb,dgdot_dtausb,tau_sb real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix real(pReal), dimension(3) :: eigValues, sb_s, sb_m real(pReal), dimension(3,6), parameter :: & sb_sComposition = & reshape(real([& 1, 0, 1, & 1, 0,-1, & 1, 1, 0, & 1,-1, 0, & 0, 1, 1, & 0, 1,-1 & ],pReal),[ 3,6]), & sb_mComposition = & reshape(real([& 1, 0,-1, & 1, 0,+1, & 1,-1, 0, & 1, 1, 0, & 0, 1,-1, & 0, 1, 1 & ],pReal),[ 3,6]) logical error !* Shortened notation of = mappingConstitutive(1,ipc,ip,el) ph = mappingConstitutive(2,ipc,ip,el) instance = phase_plasticityInstance(ph) ns = constitutive_dislokmc_totalNslip(instance) nt = constitutive_dislokmc_totalNtwin(instance) !* Total twin volume fraction sumf = sum(plasticState(ph)%state((3_pInt*ns+1_pInt):(3_pInt*ns+nt), of)) ! safe for nt == 0 Lp = 0.0_pReal dLp_dTstar3333 = 0.0_pReal dLp_dTstar = 0.0_pReal !* Dislocation glide part gdot_slip = 0.0_pReal dgdot_dtauslip = 0.0_pReal j = 0_pInt slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family slipSystemsLoop: do i = 1_pInt,constitutive_dislokmc_Nslip(f,instance) j = j+1_pInt !* Calculation of Lp !* Resolved shear stress on slip system tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) if((abs(tau_slip(j))-plasticState(ph)%state(6*ns+4*nt+j, of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau_slip(j))- plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_pPerSlipFamily(f,instance) StressRatio_pminus1 = ((abs(tau_slip(j))-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_pPerSlipFamily(f,instance)-1.0_pReal) StressRatio_u = ((abs(tau_slip(j))-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_uPerSlipFamily(f,instance) StressRatio_uminus1 = ((abs(tau_slip(j))-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_uPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = constitutive_dislokmc_QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & plasticState(ph)%state(j, of)*constitutive_dislokmc_burgersPerSlipSystem(j,instance)*& constitutive_dislokmc_v0PerSlipSystem(j,instance) !* Shear rates due to slip vel_slip(j) = exp(-BoltzmannRatio*(1-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance)) & * (1.0_pReal-constitutive_dislokmc_sPerSlipFamily(f,instance) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance))) gdot_slip(j) = (1.0_pReal - sumf) * DotGamma0 & * StressRatio_u * vel_slip(j) & * sign(1.0_pReal,tau_slip(j)) !* Derivatives of shear rates dvel_slip(j) = & (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance)))& *BoltzmannRatio*constitutive_dislokmc_pPerSlipFamily(f,instance)& *constitutive_dislokmc_qPerSlipFamily(f,instance)/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance))*& StressRatio_pminus1*(1-StressRatio_p)**(constitutive_dislokmc_qPerSlipFamily(f,instance)-1.0_pReal) )& *(1.0_pReal - 2.0_pReal*constitutive_dislokmc_sPerSlipFamily(f,instance)& *abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance)))) dgdot_dtauslip(j) = & (1.0_pReal - sumf) * DotGamma0 * & ( constitutive_dislokmc_uPerSlipFamily(f,instance)*StressRatio_uminus1 & /(constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance))& * vel_slip(j) & + StressRatio_u * dvel_slip(j) ) endif !* Plastic velocity gradient for dislocation glide Lp = Lp + gdot_slip(j)*lattice_Sslip(:,:,1,index_myFamily+i,ph) !* Calculation of the tangent of Lp forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dTstar3333(k,l,m,n) = & dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*& lattice_Sslip(k,l,1,index_myFamily+i,ph)*& lattice_Sslip(m,n,1,index_myFamily+i,ph) enddo slipSystemsLoop enddo slipFamiliesLoop !* Shear banding (shearband) part if(constitutive_dislokmc_sbVelocity(instance) /= 0.0_pReal .and. & constitutive_dislokmc_sbResistance(instance) /= 0.0_pReal) then gdot_sb = 0.0_pReal dgdot_dtausb = 0.0_pReal call math_spectralDecompositionSym33(math_Mandel6to33(Tstar_v),eigValues,eigVectors, error) do j = 1_pInt,6_pInt sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) sb_Smatrix = math_tensorproduct(sb_s,sb_m) constitutive_dislokmc_sbSv(1:6,j,ipc,ip,el) = math_Mandel33to6(math_symmetric33(sb_Smatrix)) !* Calculation of Lp !* Resolved shear stress on shear banding system tau_sb(j) = dot_product(Tstar_v,constitutive_dislokmc_sbSv(1:6,j,ipc,ip,el)) !* Stress ratios if (abs(tau_sb(j)) < tol_math_check) then StressRatio_p = 0.0_pReal StressRatio_pminus1 = 0.0_pReal else StressRatio_p = (abs(tau_sb(j))/constitutive_dislokmc_sbResistance(instance))& **constitutive_dislokmc_pShearBand(instance) StressRatio_pminus1 = (abs(tau_sb(j))/constitutive_dislokmc_sbResistance(instance))& **(constitutive_dislokmc_pShearBand(instance)-1.0_pReal) endif !* Boltzmann ratio BoltzmannRatio = constitutive_dislokmc_sbQedge(instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = constitutive_dislokmc_sbVelocity(instance) !* Shear rates due to shearband gdot_sb(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& constitutive_dislokmc_qShearBand(instance))*sign(1.0_pReal,tau_sb(j)) !* Derivatives of shear rates dgdot_dtausb(j) = & ((abs(gdot_sb(j))*BoltzmannRatio*& constitutive_dislokmc_pShearBand(instance)*constitutive_dislokmc_qShearBand(instance))/& constitutive_dislokmc_sbResistance(instance))*& StressRatio_pminus1*(1_pInt-StressRatio_p)**(constitutive_dislokmc_qShearBand(instance)-1.0_pReal) !* Plastic velocity gradient for shear banding Lp = Lp + gdot_sb(j)*sb_Smatrix !* Calculation of the tangent of Lp forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dTstar3333(k,l,m,n) = & dLp_dTstar3333(k,l,m,n) + dgdot_dtausb(j)*& sb_Smatrix(k,l)*& sb_Smatrix(m,n) enddo end if !* Mechanical twinning part gdot_twin = 0.0_pReal dgdot_dtautwin = 0.0_pReal j = 0_pInt twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family twinSystemsLoop: do i = 1_pInt,constitutive_dislokmc_Ntwin(f,instance) j = j+1_pInt !* Calculation of Lp !* Resolved shear stress on twin system tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) !* Stress ratios if (tau_twin(j) > tol_math_check) then StressRatio_r = (plasticState(ph)%state(7*ns+4*nt+j, of)/tau_twin(j))**constitutive_dislokmc_rPerTwinFamily(f,instance) !* Shear rates and their derivatives due to twin select case(lattice_structure(ph)) case (LATTICE_fcc_ID) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) if (tau_twin(j) < constitutive_dislokmc_tau_r(j,instance)) then Ndot0=(abs(gdot_slip(s1))*(plasticState(ph)%state(s2,of)+plasticState(ph)%state(ns+s2, of))+& abs(gdot_slip(s2))*(plasticState(ph)%state(s1, of)+plasticState(ph)%state(ns+s1, of)))/& (constitutive_dislokmc_L0(instance)*constitutive_dislokmc_burgersPerSlipSystem(j,instance))*& (1.0_pReal-exp(-constitutive_dislokmc_VcrossSlip(instance)/(kB*Temperature)*& (constitutive_dislokmc_tau_r(j,instance)-tau_twin(j)))) else Ndot0=0.0_pReal end if case default Ndot0=constitutive_dislokmc_Ndot0PerTwinSystem(j,instance) end select gdot_twin(j) = & (constitutive_dislokmc_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& plasticState(ph)%state(7*ns+5*nt+j, of)*Ndot0*exp(-StressRatio_r) dgdot_dtautwin(j) = ((gdot_twin(j)*constitutive_dislokmc_rPerTwinFamily(f,instance))/tau_twin(j))*StressRatio_r endif !* Plastic velocity gradient for mechanical twinning Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,ph) !* Calculation of the tangent of Lp forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dTstar3333(k,l,m,n) = & dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*& lattice_Stwin(k,l,index_myFamily+i,ph)*& lattice_Stwin(m,n,index_myFamily+i,ph) enddo twinSystemsLoop enddo twinFamiliesLoop dLp_dTstar = math_Plain3333to99(dLp_dTstar3333) end subroutine constitutive_dislokmc_LpAndItsTangent !-------------------------------------------------------------------------------------------------- !> @brief calculates the rate of change of microstructure !-------------------------------------------------------------------------------------------------- subroutine constitutive_dislokmc_dotState(Tstar_v,Temperature,ipc,ip,el) use prec, only: & tol_math_check use math, only: & pi use mesh, only: & mesh_NcpElems, & mesh_maxNips use material, only: & homogenization_maxNgrains, & material_phase, & phase_plasticityInstance, & plasticState, & mappingConstitutive use lattice, only: & lattice_Sslip_v, & lattice_Stwin_v, & lattice_maxNslipFamily, & lattice_maxNtwinFamily, & lattice_NslipSystem, & lattice_NtwinSystem, & lattice_sheartwin, & lattice_mu, & lattice_structure, & lattice_fcc_twinNucleationSlipPair, & LATTICE_fcc_ID, & LATTICE_bcc_ID implicit none real(pReal), dimension(6), intent(in):: & Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation real(pReal), intent(in) :: & temperature !< temperature at integration point integer(pInt), intent(in) :: & ipc, & !< component-ID of integration point ip, & !< integration point el !< element integer(pInt) :: instance,ns,nt,f,i,j,index_myFamily,s1,s2, & ph, & of real(pReal) :: sumf,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_u,StressRatio_uminus1,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0 real(pReal), dimension(constitutive_dislokmc_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_slip,tau_slip,DotRhoMultiplication,EdgeDipDistance,DotRhoEdgeEdgeAnnihilation,DotRhoEdgeDipAnnihilation,& ClimbVelocity,DotRhoEdgeDipClimb,DotRhoDipFormation real(pReal), dimension(constitutive_dislokmc_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & tau_twin !* Shortened notation of = mappingConstitutive(1,ipc,ip,el) ph = mappingConstitutive(2,ipc,ip,el) instance = phase_plasticityInstance(ph) ns = constitutive_dislokmc_totalNslip(instance) nt = constitutive_dislokmc_totalNtwin(instance) !* Total twin volume fraction sumf = sum(plasticState(ph)%state((3_pInt*ns+1_pInt):(3_pInt*ns+nt), of)) ! safe for nt == 0 plasticState(ph)%dotState(:,of) = 0.0_pReal !* Dislocation density evolution gdot_slip = 0.0_pReal j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,constitutive_dislokmc_Nslip(f,instance) ! process each (active) slip system in family j = j+1_pInt !* Resolved shear stress on slip system tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) if((abs(tau_slip(j))-plasticState(ph)%state(6*ns+4*nt+j, of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau_slip(j))-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_pPerSlipFamily(f,instance) StressRatio_pminus1 = ((abs(tau_slip(j))-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_pPerSlipFamily(f,instance)-1.0_pReal) StressRatio_u = ((abs(tau_slip(j))-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_uPerSlipFamily(f,instance) StressRatio_uminus1 = ((abs(tau_slip(j))-plasticState(ph)%state(6*ns+4*nt+j,of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_uPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = constitutive_dislokmc_QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & plasticState(ph)%state(j, of)*constitutive_dislokmc_burgersPerSlipSystem(j,instance)*& constitutive_dislokmc_v0PerSlipSystem(j,instance) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & constitutive_dislokmc_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau_slip(j)) & * (1_pInt-constitutive_dislokmc_sPerSlipFamily(f,instance) & * exp(-BoltzmannRatio*(1_pInt-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance))) & * StressRatio_u endif !* Multiplication DotRhoMultiplication(j) = abs(gdot_slip(j))/& (constitutive_dislokmc_burgersPerSlipSystem(j,instance)* & plasticState(ph)%state(5*ns+3*nt+j, of)) !* Dipole formation EdgeDipMinDistance = & constitutive_dislokmc_CEdgeDipMinDistance(instance)*constitutive_dislokmc_burgersPerSlipSystem(j,instance) if (tau_slip(j) == 0.0_pReal) then DotRhoDipFormation(j) = 0.0_pReal else EdgeDipDistance(j) = & (3.0_pReal*lattice_mu(ph)*constitutive_dislokmc_burgersPerSlipSystem(j,instance))/& (16.0_pReal*pi*abs(tau_slip(j))) if (EdgeDipDistance(j)>plasticState(ph)%state(5*ns+3*nt+j, of)) EdgeDipDistance(j)=plasticState(ph)%state(5*ns+3*nt+j, of) if (EdgeDipDistance(j) tol_math_check) then StressRatio_r = (plasticState(ph)%state(7*ns+4*nt+j, of)/tau_twin(j))**constitutive_dislokmc_rPerTwinFamily(f,instance) !* Shear rates and their derivatives due to twin select case(lattice_structure(ph)) case (LATTICE_fcc_ID) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) if (tau_twin(j) < constitutive_dislokmc_tau_r(j,instance)) then Ndot0=(abs(gdot_slip(s1))*(plasticState(ph)%state(s2, of)+plasticState(ph)%state(ns+s2, of))+& abs(gdot_slip(s2))*(plasticState(ph)%state(s1, of)+plasticState(ph)%state(ns+s1, of)))/& (constitutive_dislokmc_L0(instance)*constitutive_dislokmc_burgersPerSlipSystem(j,instance))*& (1.0_pReal-exp(-constitutive_dislokmc_VcrossSlip(instance)/(kB*Temperature)*& (constitutive_dislokmc_tau_r(j,instance)-tau_twin(j)))) else Ndot0=0.0_pReal end if case default Ndot0=constitutive_dislokmc_Ndot0PerTwinSystem(j,instance) end select plasticState(ph)%dotState(3_pInt*ns+j, of) = & (constitutive_dislokmc_MaxTwinFraction(instance)-sumf)*& plasticState(ph)%state(7_pInt*ns+5_pInt*nt+j, of)*Ndot0*exp(-StressRatio_r) !* Dotstate for accumulated shear due to twin plasticState(ph)%dotState(3_pInt*ns+nt+j, of) = plasticState(ph)%dotState(3_pInt*ns+j, of) * & lattice_sheartwin(index_myfamily+i,ph) endif enddo enddo end subroutine constitutive_dislokmc_dotState !-------------------------------------------------------------------------------------------------- !> @brief returns accumulated slip !-------------------------------------------------------------------------------------------------- subroutine constitutive_dislokmc_getAccumulatedSlip(nSlip,accumulatedSlip,ipc, ip, el) use lattice, only: & lattice_maxNslipFamily use material, only: & mappingConstitutive, & plasticState, & phase_plasticityInstance implicit none real(pReal), dimension(:), allocatable :: & accumulatedSlip integer(pInt) :: & nSlip integer(pInt), intent(in) :: & ipc, & !< grain number ip, & !< integration point number el !< element number integer(pInt) :: & offset, & phase, & instance, & offset_accshear_slip, & f, j, i offset = mappingConstitutive(1,ipc,ip,el) phase = mappingConstitutive(2,ipc,ip,el) instance = phase_plasticityInstance(phase) nSlip = constitutive_dislokmc_totalNslip(instance) allocate(accumulatedSlip(nSlip)) offset_accshear_slip = 2_pInt*nSlip j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families do i = 1_pInt,constitutive_dislokmc_Nslip(f,instance) ! process each (active) slip system in family j = j+1_pInt accumulatedSlip(j) = plasticState(phase)%state(offset_accshear_slip+j,offset) enddo enddo end subroutine constitutive_dislokmc_getAccumulatedSlip !-------------------------------------------------------------------------------------------------- !> @brief returns accumulated slip !-------------------------------------------------------------------------------------------------- subroutine constitutive_dislokmc_getSlipRate(nSlip,slipRate,ipc, ip, el) use lattice, only: & lattice_maxNslipFamily use material, only: & mappingConstitutive, & plasticState, & phase_plasticityInstance implicit none real(pReal), dimension(:), allocatable :: & slipRate integer(pInt) :: & nSlip integer(pInt), intent(in) :: & ipc, & !< grain number ip, & !< integration point number el !< element number integer(pInt) :: & offset, & phase, & instance, & offset_accshear_slip, & f, j, i offset = mappingConstitutive(1,ipc,ip,el) phase = mappingConstitutive(2,ipc,ip,el) instance = phase_plasticityInstance(phase) nSlip = constitutive_dislokmc_totalNslip(instance) allocate(slipRate(nSlip)) offset_accshear_slip = 2_pInt*nSlip j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families do i = 1_pInt,constitutive_dislokmc_Nslip(f,instance) ! process each (active) slip system in family j = j+1_pInt slipRate(j) = plasticState(phase)%dotState(offset_accshear_slip+j,offset) enddo enddo end subroutine constitutive_dislokmc_getSlipRate !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- function constitutive_dislokmc_postResults(Tstar_v,Temperature,ipc,ip,el) use prec, only: & tol_math_check use math, only: & pi, & math_Mandel6to33, & math_spectralDecompositionSym33 use mesh, only: & mesh_NcpElems, & mesh_maxNips use material, only: & homogenization_maxNgrains,& material_phase, & phase_plasticityInstance,& phase_Noutput, & plasticState, & mappingConstitutive use lattice, only: & lattice_Sslip_v, & lattice_Stwin_v, & lattice_maxNslipFamily, & lattice_maxNtwinFamily, & lattice_NslipSystem, & lattice_NtwinSystem, & lattice_shearTwin, & lattice_mu, & lattice_structure, & lattice_fcc_twinNucleationSlipPair, & LATTICE_fcc_ID implicit none real(pReal), dimension(6), intent(in) :: & Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation real(pReal), intent(in) :: & temperature !< temperature at integration point integer(pInt), intent(in) :: & ipc, & !< component-ID of integration point ip, & !< integration point el !< element real(pReal), dimension(constitutive_dislokmc_sizePostResults(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & constitutive_dislokmc_postResults integer(pInt) :: & instance,& ns,nt,& f,o,i,c,j,index_myFamily,& s1,s2, & ph, & of real(pReal) :: sumf,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0,dgdot_dtauslip real(pReal) :: dvel_slip real(pReal) :: StressRatio_u,StressRatio_uminus1 real(preal), dimension(constitutive_dislokmc_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_slip, vel_slip real(pReal), dimension(3,3) :: eigVectors real(pReal), dimension (3) :: eigValues logical :: error !* Shortened notation of = mappingConstitutive(1,ipc,ip,el) ph = mappingConstitutive(2,ipc,ip,el) instance = phase_plasticityInstance(ph) ns = constitutive_dislokmc_totalNslip(instance) nt = constitutive_dislokmc_totalNtwin(instance) !* Total twin volume fraction sumf = sum(plasticState(ph)%state((3_pInt*ns+1_pInt):(3_pInt*ns+nt), of)) ! safe for nt == 0 !* Required output c = 0_pInt constitutive_dislokmc_postResults = 0.0_pReal !* Spectral decomposition of stress call math_spectralDecompositionSym33(math_Mandel6to33(Tstar_v),eigValues,eigVectors, error) do o = 1_pInt,constitutive_dislokmc_Noutput(instance) select case(constitutive_dislokmc_outputID(o,instance)) case (edge_density_ID) constitutive_dislokmc_postResults(c+1_pInt:c+ns) = plasticState(ph)%state(1_pInt:ns, of) c = c + ns case (dipole_density_ID) constitutive_dislokmc_postResults(c+1_pInt:c+ns) = plasticState(ph)%state(ns+1_pInt:2_pInt*ns, of) c = c + ns case (shear_rate_slip_ID) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,constitutive_dislokmc_Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt !* Resolved shear stress on slip system tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) !* Stress ratios if((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+& constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_pPerSlipFamily(f,instance) StressRatio_pminus1 = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+& constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_pPerSlipFamily(f,instance)-1.0_pReal) StressRatio_u = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_uPerSlipFamily(f,instance) StressRatio_uminus1 = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_uPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = constitutive_dislokmc_QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & plasticState(ph)%state(j, of)*constitutive_dislokmc_burgersPerSlipSystem(j,instance)* & constitutive_dislokmc_v0PerSlipSystem(j,instance) !* Shear rates due to slip constitutive_dislokmc_postResults(c+j) = & DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& constitutive_dislokmc_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) & * (1.0_pReal-constitutive_dislokmc_sPerSlipFamily(f,instance) & * exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**constitutive_dislokmc_qPerSlipFamily(f,instance))) else constitutive_dislokmc_postResults(c+j) = 0.0_pReal endif enddo ; enddo c = c + ns case (accumulated_shear_slip_ID) constitutive_dislokmc_postResults(c+1_pInt:c+ns) = & plasticState(ph)%state((2_pInt*ns+1_pInt):(3_pInt*ns), of) c = c + ns case (mfp_slip_ID) constitutive_dislokmc_postResults(c+1_pInt:c+ns) =& plasticState(ph)%state((5_pInt*ns+3_pInt*nt+1_pInt):(6_pInt*ns+3_pInt*nt), of) c = c + ns case (resolved_stress_slip_ID) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,constitutive_dislokmc_Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt constitutive_dislokmc_postResults(c+j) =& dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) enddo; enddo c = c + ns case (threshold_stress_slip_ID) constitutive_dislokmc_postResults(c+1_pInt:c+ns) = & plasticState(ph)%state((6_pInt*ns+4_pInt*nt+1_pInt):(7_pInt*ns+4_pInt*nt), of) c = c + ns case (edge_dipole_distance_ID) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,constitutive_dislokmc_Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt constitutive_dislokmc_postResults(c+j) = & (3.0_pReal*lattice_mu(ph)*constitutive_dislokmc_burgersPerSlipSystem(j,instance))/& (16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)))) constitutive_dislokmc_postResults(c+j)=min(constitutive_dislokmc_postResults(c+j),& plasticState(ph)%state(5*ns+3*nt+j, of)) enddo; enddo c = c + ns case (resolved_stress_shearband_ID) do j = 1_pInt,6_pInt ! loop over all shearband families constitutive_dislokmc_postResults(c+j) = dot_product(Tstar_v, & constitutive_dislokmc_sbSv(1:6,j,ipc,ip,el)) enddo c = c + 6_pInt case (shear_rate_shearband_ID) do j = 1_pInt,6_pInt ! loop over all shearbands !* Resolved shear stress on shearband system tau = dot_product(Tstar_v,constitutive_dislokmc_sbSv(1:6,j,ipc,ip,el)) !* Stress ratios if (abs(tau) < tol_math_check) then StressRatio_p = 0.0_pReal StressRatio_pminus1 = 0.0_pReal else StressRatio_p = (abs(tau)/constitutive_dislokmc_sbResistance(instance))**& constitutive_dislokmc_pShearBand(instance) StressRatio_pminus1 = (abs(tau)/constitutive_dislokmc_sbResistance(instance))**& (constitutive_dislokmc_pShearBand(instance)-1.0_pReal) endif !* Boltzmann ratio BoltzmannRatio = constitutive_dislokmc_sbQedge(instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = constitutive_dislokmc_sbVelocity(instance) ! Shear rate due to shear band constitutive_dislokmc_postResults(c+j) = & DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**constitutive_dislokmc_qShearBand(instance))*& sign(1.0_pReal,tau) enddo c = c + 6_pInt case (twin_fraction_ID) constitutive_dislokmc_postResults(c+1_pInt:c+nt) = plasticState(ph)%state((3_pInt*ns+1_pInt):(3_pInt*ns+nt), of) c = c + nt case (shear_rate_twin_ID) if (nt > 0_pInt) then j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,constitutive_dislokmc_Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt !* Resolved shear stress on slip system tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) !* Stress ratios if((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+& constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_pPerSlipFamily(f,instance) StressRatio_pminus1 = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+& constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_pPerSlipFamily(f,instance)-1.0_pReal) StressRatio_u = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_uPerSlipFamily(f,instance) StressRatio_uminus1 = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_uPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = constitutive_dislokmc_QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & plasticState(ph)%state(j, of)*constitutive_dislokmc_burgersPerSlipSystem(j,instance)* & constitutive_dislokmc_v0PerSlipSystem(j,instance) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& constitutive_dislokmc_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) & * (1.0_pReal-constitutive_dislokmc_sPerSlipFamily(f,instance) & * exp(-BoltzmannRatio*(1_pInt-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance)) ) & * StressRatio_u else gdot_slip(j) = 0.0_pReal endif enddo;enddo j = 0_pInt do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1,constitutive_dislokmc_Ntwin(f,instance) ! process each (active) twin system in family j = j + 1_pInt !* Resolved shear stress on twin system tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) !* Stress ratios StressRatio_r = (plasticState(ph)%state(7_pInt*ns+4_pInt*nt+j, of)/ & tau)**constitutive_dislokmc_rPerTwinFamily(f,instance) !* Shear rates due to twin if ( tau > 0.0_pReal ) then select case(lattice_structure(ph)) case (LATTICE_fcc_ID) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) if (tau < constitutive_dislokmc_tau_r(j,instance)) then Ndot0=(abs(gdot_slip(s1))*(plasticState(ph)%state(s2, of)+plasticState(ph)%state(ns+s2, of))+& abs(gdot_slip(s2))*(plasticState(ph)%state(s1, of)+plasticState(ph)%state(ns+s1, of)))/& (constitutive_dislokmc_L0(instance)*& constitutive_dislokmc_burgersPerSlipSystem(j,instance))*& (1.0_pReal-exp(-constitutive_dislokmc_VcrossSlip(instance)/(kB*Temperature)*& (constitutive_dislokmc_tau_r(j,instance)-tau))) else Ndot0=0.0_pReal end if case default Ndot0=constitutive_dislokmc_Ndot0PerTwinSystem(j,instance) end select constitutive_dislokmc_postResults(c+j) = & (constitutive_dislokmc_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& plasticState(ph)%state(7_pInt*ns+5_pInt*nt+j, of)*Ndot0*exp(-StressRatio_r) endif enddo ; enddo endif c = c + nt case (accumulated_shear_twin_ID) constitutive_dislokmc_postResults(c+1_pInt:c+nt) = plasticState(ph)% & state((3_pInt*ns+nt+1_pInt) :(3_pInt*ns+2_pInt*nt), of) c = c + nt case (mfp_twin_ID) constitutive_dislokmc_postResults(c+1_pInt:c+nt) = plasticState(ph)% & state((6_pInt*ns+3_pInt*nt+1_pInt):(6_pInt*ns+4_pInt*nt), of) c = c + nt case (resolved_stress_twin_ID) if (nt > 0_pInt) then j = 0_pInt do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,constitutive_dislokmc_Ntwin(f,instance) ! process each (active) slip system in family j = j + 1_pInt constitutive_dislokmc_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) enddo; enddo endif c = c + nt case (threshold_stress_twin_ID) constitutive_dislokmc_postResults(c+1_pInt:c+nt) = plasticState(ph)% & state((7_pInt*ns+4_pInt*nt+1_pInt):(7_pInt*ns+5_pInt*nt), of) c = c + nt case (stress_exponent_ID) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,constitutive_dislokmc_Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt !* Resolved shear stress on slip system tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) if((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+& constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_pPerSlipFamily(f,instance) StressRatio_pminus1 = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j, of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+& constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_pPerSlipFamily(f,instance)-1.0_pReal) StressRatio_u = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j,of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **constitutive_dislokmc_uPerSlipFamily(f,instance) StressRatio_uminus1 = ((abs(tau)-plasticState(ph)%state(6*ns+4*nt+j,of))/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance)))& **(constitutive_dislokmc_uPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = constitutive_dislokmc_QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & plasticState(ph)%state(j, of)*constitutive_dislokmc_burgersPerSlipSystem(j,instance)* & constitutive_dislokmc_v0PerSlipSystem(j,instance) !* Shear rates due to slip vel_slip(j) = exp(-BoltzmannRatio*(1-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance)) & * (1.0_pReal-constitutive_dislokmc_sPerSlipFamily(f,instance) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance))) gdot_slip(j) = (1.0_pReal - sumf) * DotGamma0 & * StressRatio_u * vel_slip(j) & * sign(1.0_pReal,tau) !* Derivatives of shear rates dvel_slip = & (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance)))& *BoltzmannRatio*constitutive_dislokmc_pPerSlipFamily(f,instance)& *constitutive_dislokmc_qPerSlipFamily(f,instance)/& (constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance))*& StressRatio_pminus1*(1-StressRatio_p)**(constitutive_dislokmc_qPerSlipFamily(f,instance)-1.0_pReal) )& *(1.0_pReal - 2.0_pReal*constitutive_dislokmc_sPerSlipFamily(f,instance)& *abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** constitutive_dislokmc_qPerSlipFamily(f,instance)))) dgdot_dtauslip = & (1.0_pReal - sumf) * DotGamma0 * & ( constitutive_dislokmc_uPerSlipFamily(f,instance)*StressRatio_uminus1 & /(constitutive_dislokmc_SolidSolutionStrength(instance)+constitutive_dislokmc_tau_peierlsPerSlipFamily(f,instance))& * vel_slip(j) & + StressRatio_u * dvel_slip ) else gdot_slip(j) = 0.0_pReal dgdot_dtauslip = 0.0_pReal endif !* Stress exponent if (gdot_slip(j)==0.0_pReal) then constitutive_dislokmc_postResults(c+j) = 0.0_pReal else constitutive_dislokmc_postResults(c+j) = (tau/gdot_slip(j))*dgdot_dtauslip endif enddo ; enddo c = c + ns case (sb_eigenvalues_ID) forall (j = 1_pInt:3_pInt) & constitutive_dislokmc_postResults(c+j) = eigValues(j) c = c + 3_pInt case (sb_eigenvectors_ID) constitutive_dislokmc_postResults(c+1_pInt:c+9_pInt) = reshape(eigVectors,[9]) c = c + 9_pInt end select enddo end function constitutive_dislokmc_postResults end module constitutive_dislokmc