!-------------------------------------------------------------------------------------------------- !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @brief Parses material config file, either solverJobName.materialConfig or material.config !> @details reads the material configuration file, where solverJobName.materialConfig takes !! precedence over material.config and parses the sections 'homogenization', 'crystallite', !! 'phase', 'texture', and 'microstucture' !-------------------------------------------------------------------------------------------------- module material use prec use math use config use results use IO use debug use mesh use numerics use rotations use discretization implicit none private character(len=*), parameter, public :: & ELASTICITY_hooke_label = 'hooke', & PLASTICITY_none_label = 'none', & PLASTICITY_isotropic_label = 'isotropic', & PLASTICITY_phenopowerlaw_label = 'phenopowerlaw', & PLASTICITY_kinehardening_label = 'kinehardening', & PLASTICITY_dislotwin_label = 'dislotwin', & PLASTICITY_disloucla_label = 'disloucla', & PLASTICITY_nonlocal_label = 'nonlocal', & SOURCE_thermal_dissipation_label = 'thermal_dissipation', & SOURCE_thermal_externalheat_label = 'thermal_externalheat', & SOURCE_damage_isoBrittle_label = 'damage_isobrittle', & SOURCE_damage_isoDuctile_label = 'damage_isoductile', & SOURCE_damage_anisoBrittle_label = 'damage_anisobrittle', & SOURCE_damage_anisoDuctile_label = 'damage_anisoductile', & KINEMATICS_thermal_expansion_label = 'thermal_expansion', & KINEMATICS_cleavage_opening_label = 'cleavage_opening', & KINEMATICS_slipplane_opening_label = 'slipplane_opening', & STIFFNESS_DEGRADATION_damage_label = 'damage', & THERMAL_isothermal_label = 'isothermal', & THERMAL_adiabatic_label = 'adiabatic', & THERMAL_conduction_label = 'conduction', & DAMAGE_none_label = 'none', & DAMAGE_local_label = 'local', & DAMAGE_nonlocal_label = 'nonlocal', & HOMOGENIZATION_none_label = 'none', & HOMOGENIZATION_isostrain_label = 'isostrain', & HOMOGENIZATION_rgc_label = 'rgc' enum, bind(c) enumerator :: ELASTICITY_undefined_ID, & ELASTICITY_hooke_ID, & PLASTICITY_undefined_ID, & PLASTICITY_none_ID, & PLASTICITY_isotropic_ID, & PLASTICITY_phenopowerlaw_ID, & PLASTICITY_kinehardening_ID, & PLASTICITY_dislotwin_ID, & PLASTICITY_disloucla_ID, & PLASTICITY_nonlocal_ID, & SOURCE_undefined_ID, & SOURCE_thermal_dissipation_ID, & SOURCE_thermal_externalheat_ID, & SOURCE_damage_isoBrittle_ID, & SOURCE_damage_isoDuctile_ID, & SOURCE_damage_anisoBrittle_ID, & SOURCE_damage_anisoDuctile_ID, & KINEMATICS_undefined_ID, & KINEMATICS_cleavage_opening_ID, & KINEMATICS_slipplane_opening_ID, & KINEMATICS_thermal_expansion_ID, & STIFFNESS_DEGRADATION_undefined_ID, & STIFFNESS_DEGRADATION_damage_ID, & THERMAL_isothermal_ID, & THERMAL_adiabatic_ID, & THERMAL_conduction_ID, & DAMAGE_none_ID, & DAMAGE_local_ID, & DAMAGE_nonlocal_ID, & HOMOGENIZATION_undefined_ID, & HOMOGENIZATION_none_ID, & HOMOGENIZATION_isostrain_ID, & HOMOGENIZATION_rgc_ID end enum integer(kind(ELASTICITY_undefined_ID)), dimension(:), allocatable, public, protected :: & phase_elasticity !< elasticity of each phase integer(kind(PLASTICITY_undefined_ID)), dimension(:), allocatable, public, protected :: & phase_plasticity !< plasticity of each phase integer(kind(THERMAL_isothermal_ID)), dimension(:), allocatable, public, protected :: & thermal_type !< thermal transport model integer(kind(DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: & damage_type !< nonlocal damage model integer(kind(SOURCE_undefined_ID)), dimension(:,:), allocatable, public, protected :: & phase_source, & !< active sources mechanisms of each phase phase_kinematics, & !< active kinematic mechanisms of each phase phase_stiffnessDegradation !< active stiffness degradation mechanisms of each phase integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable, public, protected :: & homogenization_type !< type of each homogenization integer, public, protected :: & homogenization_maxNgrains !< max number of grains in any USED homogenization integer, dimension(:), allocatable, public, protected :: & phase_Nsources, & !< number of source mechanisms active in each phase phase_Nkinematics, & !< number of kinematic mechanisms active in each phase phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase phase_Noutput, & !< number of '(output)' items per phase phase_elasticityInstance, & !< instance of particular elasticity of each phase phase_plasticityInstance, & !< instance of particular plasticity of each phase crystallite_Noutput, & !< number of '(output)' items per crystallite setting homogenization_Ngrains, & !< number of grains in each homogenization homogenization_Noutput, & !< number of '(output)' items per homogenization homogenization_typeInstance, & !< instance of particular type of each homogenization thermal_typeInstance, & !< instance of particular type of each thermal transport damage_typeInstance, & !< instance of particular type of each nonlocal damage microstructure_crystallite !< crystallite setting ID of each microstructure ! DEPRECATED !!!! real(pReal), dimension(:), allocatable, public, protected :: & thermal_initialT, & !< initial temperature per each homogenization damage_initialPhi !< initial damage per each homogenization ! NEW MAPPINGS integer, dimension(:), allocatable, public, protected :: & ! (elem) material_homogenizationAt !< homogenization ID of each element (copy of discretization_homogenizationAt) integer, dimension(:,:), allocatable, public, protected :: & ! (ip,elem) material_homogenizationMemberAt !< position of the element within its homogenization instance integer, dimension(:,:), allocatable, public, protected :: & ! (constituent,elem) material_phaseAt !< phase ID of each element integer, dimension(:,:,:), allocatable, public, protected :: & ! (constituent,ip,elem) material_phaseMemberAt !< position of the element within its phase instance ! END NEW MAPPINGS ! DEPRECATED: use material_phaseAt integer, dimension(:,:,:), allocatable, public :: & material_phase !< phase (index) of each grain,IP,element type(tPlasticState), allocatable, dimension(:), public :: & plasticState type(tSourceState), allocatable, dimension(:), public :: & sourceState type(tState), allocatable, dimension(:), public :: & homogState, & thermalState, & damageState integer, dimension(:,:,:), allocatable, public, protected :: & material_texture !< texture (index) of each grain,IP,element. Only used by plastic_nonlocal real(pReal), dimension(:,:,:,:), allocatable, public, protected :: & material_EulerAngles !< initial orientation of each grain,IP,element logical, dimension(:), allocatable, public, protected :: & microstructure_active, & phase_localPlasticity !< flags phases with local constitutive law integer, private :: & microstructure_maxNconstituents !< max number of constituents in any phase integer, dimension(:), allocatable, private :: & microstructure_Nconstituents !< number of constituents in each microstructure integer, dimension(:,:), allocatable, private :: & microstructure_phase, & !< phase IDs of each microstructure microstructure_texture !< texture IDs of each microstructure real(pReal), dimension(:,:), allocatable, private :: & texture_Gauss, & !< data of each Gauss component microstructure_fraction !< vol fraction of each constituent in microstructure logical, dimension(:), allocatable, private :: & homogenization_active ! BEGIN DEPRECATED integer, dimension(:,:,:), allocatable, public, target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field integer, dimension(:,:), allocatable, private, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field ! END DEPRECATED type(tHomogMapping), allocatable, dimension(:), public :: & thermalMapping, & !< mapping for thermal state/fields damageMapping !< mapping for damage state/fields type(group_float), allocatable, dimension(:), public :: & temperature, & !< temperature field damage, & !< damage field temperatureRate !< temperature change rate field public :: & material_init, & material_allocatePlasticState, & material_allocateSourceState, & ELASTICITY_hooke_ID ,& PLASTICITY_none_ID, & PLASTICITY_isotropic_ID, & PLASTICITY_phenopowerlaw_ID, & PLASTICITY_kinehardening_ID, & PLASTICITY_dislotwin_ID, & PLASTICITY_disloucla_ID, & PLASTICITY_nonlocal_ID, & SOURCE_thermal_dissipation_ID, & SOURCE_thermal_externalheat_ID, & SOURCE_damage_isoBrittle_ID, & SOURCE_damage_isoDuctile_ID, & SOURCE_damage_anisoBrittle_ID, & SOURCE_damage_anisoDuctile_ID, & KINEMATICS_cleavage_opening_ID, & KINEMATICS_slipplane_opening_ID, & KINEMATICS_thermal_expansion_ID, & STIFFNESS_DEGRADATION_damage_ID, & THERMAL_isothermal_ID, & THERMAL_adiabatic_ID, & THERMAL_conduction_ID, & DAMAGE_none_ID, & DAMAGE_local_ID, & DAMAGE_nonlocal_ID, & HOMOGENIZATION_none_ID, & HOMOGENIZATION_isostrain_ID, & HOMOGENIZATION_RGC_ID private :: & material_parseHomogenization, & material_parseMicrostructure, & material_parseCrystallite, & material_parsePhase, & material_parseTexture, & material_populateGrains contains !-------------------------------------------------------------------------------------------------- !> @brief parses material configuration file !> @details figures out if solverJobName.materialConfig is present, if not looks for !> material.config !-------------------------------------------------------------------------------------------------- subroutine material_init integer, parameter :: FILEUNIT = 210 integer :: i,e,m,c,h, myDebug, myPhase, myHomog integer, dimension(:), allocatable :: & CounterPhase, & CounterHomogenization myDebug = debug_level(debug_material) write(6,'(/,a)') ' <<<+- material init -+>>>' call material_parsePhase() if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Phase parsed'; flush(6) call material_parseMicrostructure() if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Microstructure parsed'; flush(6) call material_parseCrystallite() if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Crystallite parsed'; flush(6) call material_parseHomogenization() if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Homogenization parsed'; flush(6) call material_parseTexture() if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Texture parsed'; flush(6) allocate(plasticState (size(config_phase))) allocate(sourceState (size(config_phase))) do myPhase = 1,size(config_phase) allocate(sourceState(myPhase)%p(phase_Nsources(myPhase))) enddo allocate(homogState (size(config_homogenization))) allocate(thermalState (size(config_homogenization))) allocate(damageState (size(config_homogenization))) allocate(thermalMapping (size(config_homogenization))) allocate(damageMapping (size(config_homogenization))) allocate(temperature (size(config_homogenization))) allocate(damage (size(config_homogenization))) allocate(temperatureRate (size(config_homogenization))) do m = 1,size(config_microstructure) if(microstructure_crystallite(m) < 1 .or. & microstructure_crystallite(m) > size(config_crystallite)) & call IO_error(150,m,ext_msg='crystallite') if(minval(microstructure_phase(1:microstructure_Nconstituents(m),m)) < 1 .or. & maxval(microstructure_phase(1:microstructure_Nconstituents(m),m)) > size(config_phase)) & call IO_error(150,m,ext_msg='phase') if(minval(microstructure_texture(1:microstructure_Nconstituents(m),m)) < 1 .or. & maxval(microstructure_texture(1:microstructure_Nconstituents(m),m)) > size(config_texture)) & call IO_error(150,m,ext_msg='texture') if(microstructure_Nconstituents(m) < 1) & call IO_error(151,m) enddo debugOut: if (iand(myDebug,debug_levelExtensive) /= 0) then write(6,'(/,a,/)') ' MATERIAL configuration' write(6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains' do h = 1,size(config_homogenization) write(6,'(1x,a32,1x,a16,1x,i6)') homogenization_name(h),homogenization_type(h),homogenization_Ngrains(h) enddo write(6,'(/,a14,18x,1x,a11,1x,a12,1x,a13)') 'microstructure','crystallite','constituents' do m = 1,size(config_microstructure) write(6,'(1x,a32,1x,i11,1x,i12)') microstructure_name(m), & microstructure_crystallite(m), & microstructure_Nconstituents(m) if (microstructure_Nconstituents(m) > 0) then do c = 1,microstructure_Nconstituents(m) write(6,'(a1,1x,a32,1x,a32,1x,f7.4)') '>',phase_name(microstructure_phase(c,m)),& texture_name(microstructure_texture(c,m)),& microstructure_fraction(c,m) enddo write(6,*) endif enddo endif debugOut call material_populateGrains !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! new mappings allocate(material_homogenizationAt,source=discretization_homogenizationAt) allocate(material_homogenizationMemberAt(discretization_nIP,discretization_nElem),source=0) allocate(CounterHomogenization(size(config_homogenization)),source=0) do e = 1, discretization_nElem do i = 1, discretization_nIP CounterHomogenization(material_homogenizationAt(e)) = & CounterHomogenization(material_homogenizationAt(e)) + 1 material_homogenizationMemberAt(i,e) = CounterHomogenization(material_homogenizationAt(e)) enddo enddo allocate(material_phaseAt(homogenization_maxNgrains,discretization_nElem), source=material_phase(:,1,:)) allocate(material_phaseMemberAt(homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0) allocate(CounterPhase(size(config_phase)),source=0) do e = 1, discretization_nElem do i = 1, discretization_nIP do c = 1, homogenization_maxNgrains CounterPhase(material_phaseAt(c,e)) = & CounterPhase(material_phaseAt(c,e)) + 1 material_phaseMemberAt(c,i,e) = CounterPhase(material_phaseAt(c,e)) enddo enddo enddo call config_deallocate('material.config/microstructure') call config_deallocate('material.config/texture') #if defined(PETSc) || defined(DAMASK_HDF5) call results_openJobFile call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,phase_name) call results_mapping_materialpoint(material_homogenizationAt,material_homogenizationMemberAt,homogenization_name) call results_closeJobFile #endif !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! BEGIN DEPRECATED allocate(mappingHomogenization (2, discretization_nIP,discretization_nElem),source=0) allocate(mappingHomogenizationConst( discretization_nIP,discretization_nElem),source=1) CounterHomogenization=0 do e = 1,discretization_nElem myHomog = discretization_homogenizationAt(e) do i = 1, discretization_nIP CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1 mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),huge(1)] enddo enddo ! END DEPRECATED ! REMOVE !!!!! ! hack needed to initialize field values used during constitutive and crystallite initializations do myHomog = 1,size(config_homogenization) thermalMapping (myHomog)%p => mappingHomogenizationConst damageMapping (myHomog)%p => mappingHomogenizationConst allocate(temperature (myHomog)%p(1), source=thermal_initialT(myHomog)) allocate(damage (myHomog)%p(1), source=damage_initialPhi(myHomog)) allocate(temperatureRate (myHomog)%p(1), source=0.0_pReal) enddo end subroutine material_init !-------------------------------------------------------------------------------------------------- !> @brief parses the homogenization part from the material configuration !-------------------------------------------------------------------------------------------------- subroutine material_parseHomogenization integer :: h character(len=65536) :: tag allocate(homogenization_type(size(config_homogenization)), source=HOMOGENIZATION_undefined_ID) allocate(thermal_type(size(config_homogenization)), source=THERMAL_isothermal_ID) allocate(damage_type (size(config_homogenization)), source=DAMAGE_none_ID) allocate(homogenization_typeInstance(size(config_homogenization)), source=0) allocate(thermal_typeInstance(size(config_homogenization)), source=0) allocate(damage_typeInstance(size(config_homogenization)), source=0) allocate(homogenization_Ngrains(size(config_homogenization)), source=0) allocate(homogenization_Noutput(size(config_homogenization)), source=0) allocate(homogenization_active(size(config_homogenization)), source=.false.) !!!!!!!!!!!!!!! allocate(thermal_initialT(size(config_homogenization)), source=300.0_pReal) allocate(damage_initialPhi(size(config_homogenization)), source=1.0_pReal) forall (h = 1:size(config_homogenization)) & homogenization_active(h) = any(discretization_homogenizationAt == h) do h=1, size(config_homogenization) homogenization_Noutput(h) = config_homogenization(h)%countKeys('(output)') tag = config_homogenization(h)%getString('mech') select case (trim(tag)) case(HOMOGENIZATION_NONE_label) homogenization_type(h) = HOMOGENIZATION_NONE_ID homogenization_Ngrains(h) = 1 case(HOMOGENIZATION_ISOSTRAIN_label) homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID homogenization_Ngrains(h) = config_homogenization(h)%getInt('nconstituents') case(HOMOGENIZATION_RGC_label) homogenization_type(h) = HOMOGENIZATION_RGC_ID homogenization_Ngrains(h) = config_homogenization(h)%getInt('nconstituents') case default call IO_error(500,ext_msg=trim(tag)) end select homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h)) if (config_homogenization(h)%keyExists('thermal')) then thermal_initialT(h) = config_homogenization(h)%getFloat('t0',defaultVal=300.0_pReal) tag = config_homogenization(h)%getString('thermal') select case (trim(tag)) case(THERMAL_isothermal_label) thermal_type(h) = THERMAL_isothermal_ID case(THERMAL_adiabatic_label) thermal_type(h) = THERMAL_adiabatic_ID case(THERMAL_conduction_label) thermal_type(h) = THERMAL_conduction_ID case default call IO_error(500,ext_msg=trim(tag)) end select endif if (config_homogenization(h)%keyExists('damage')) then damage_initialPhi(h) = config_homogenization(h)%getFloat('initialdamage',defaultVal=1.0_pReal) tag = config_homogenization(h)%getString('damage') select case (trim(tag)) case(DAMAGE_NONE_label) damage_type(h) = DAMAGE_none_ID case(DAMAGE_LOCAL_label) damage_type(h) = DAMAGE_local_ID case(DAMAGE_NONLOCAL_label) damage_type(h) = DAMAGE_nonlocal_ID case default call IO_error(500,ext_msg=trim(tag)) end select endif enddo do h=1, size(config_homogenization) homogenization_typeInstance(h) = count(homogenization_type(1:h) == homogenization_type(h)) thermal_typeInstance(h) = count(thermal_type (1:h) == thermal_type (h)) damage_typeInstance(h) = count(damage_type (1:h) == damage_type (h)) enddo homogenization_maxNgrains = maxval(homogenization_Ngrains,homogenization_active) end subroutine material_parseHomogenization !-------------------------------------------------------------------------------------------------- !> @brief parses the microstructure part in the material configuration file !-------------------------------------------------------------------------------------------------- subroutine material_parseMicrostructure character(len=65536), dimension(:), allocatable :: & strings integer, allocatable, dimension(:) :: chunkPos integer :: e, m, c, i character(len=65536) :: & tag allocate(microstructure_crystallite(size(config_microstructure)), source=0) allocate(microstructure_Nconstituents(size(config_microstructure)), source=0) allocate(microstructure_active(size(config_microstructure)), source=.false.) if(any(discretization_microstructureAt > size(config_microstructure))) & call IO_error(155,ext_msg='More microstructures in geometry than sections in material.config') forall (e = 1:discretization_nElem) & microstructure_active(discretization_microstructureAt(e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements do m=1, size(config_microstructure) microstructure_Nconstituents(m) = config_microstructure(m)%countKeys('(constituent)') microstructure_crystallite(m) = config_microstructure(m)%getInt('crystallite') enddo microstructure_maxNconstituents = maxval(microstructure_Nconstituents) allocate(microstructure_phase (microstructure_maxNconstituents,size(config_microstructure)),source=0) allocate(microstructure_texture (microstructure_maxNconstituents,size(config_microstructure)),source=0) allocate(microstructure_fraction(microstructure_maxNconstituents,size(config_microstructure)),source=0.0_pReal) allocate(strings(1)) ! Intel 16.0 Bug do m=1, size(config_microstructure) strings = config_microstructure(m)%getStrings('(constituent)',raw=.true.) do c = 1, size(strings) chunkPos = IO_stringPos(strings(c)) do i = 1,5,2 tag = IO_stringValue(strings(c),chunkPos,i) select case (tag) case('phase') microstructure_phase(c,m) = IO_intValue(strings(c),chunkPos,i+1) case('texture') microstructure_texture(c,m) = IO_intValue(strings(c),chunkPos,i+1) case('fraction') microstructure_fraction(c,m) = IO_floatValue(strings(c),chunkPos,i+1) end select enddo enddo if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) call IO_error(153,ext_msg=microstructure_name(m)) enddo end subroutine material_parseMicrostructure !-------------------------------------------------------------------------------------------------- !> @brief parses the crystallite part in the material configuration file !-------------------------------------------------------------------------------------------------- subroutine material_parseCrystallite integer :: c allocate(crystallite_Noutput(size(config_crystallite)),source=0) do c=1, size(config_crystallite) crystallite_Noutput(c) = config_crystallite(c)%countKeys('(output)') enddo end subroutine material_parseCrystallite !-------------------------------------------------------------------------------------------------- !> @brief parses the phase part in the material configuration file !-------------------------------------------------------------------------------------------------- subroutine material_parsePhase integer :: sourceCtr, kinematicsCtr, stiffDegradationCtr, p character(len=65536), dimension(:), allocatable :: str allocate(phase_elasticity(size(config_phase)),source=ELASTICITY_undefined_ID) allocate(phase_plasticity(size(config_phase)),source=PLASTICITY_undefined_ID) allocate(phase_Nsources(size(config_phase)), source=0) allocate(phase_Nkinematics(size(config_phase)), source=0) allocate(phase_NstiffnessDegradations(size(config_phase)),source=0) allocate(phase_Noutput(size(config_phase)), source=0) allocate(phase_localPlasticity(size(config_phase)), source=.false.) do p=1, size(config_phase) phase_Noutput(p) = config_phase(p)%countKeys('(output)') phase_Nsources(p) = config_phase(p)%countKeys('(source)') phase_Nkinematics(p) = config_phase(p)%countKeys('(kinematics)') phase_NstiffnessDegradations(p) = config_phase(p)%countKeys('(stiffness_degradation)') phase_localPlasticity(p) = .not. config_phase(p)%KeyExists('/nonlocal/') select case (config_phase(p)%getString('elasticity')) case (ELASTICITY_HOOKE_label) phase_elasticity(p) = ELASTICITY_HOOKE_ID case default call IO_error(200,ext_msg=trim(config_phase(p)%getString('elasticity'))) end select select case (config_phase(p)%getString('plasticity')) case (PLASTICITY_NONE_label) phase_plasticity(p) = PLASTICITY_NONE_ID case (PLASTICITY_ISOTROPIC_label) phase_plasticity(p) = PLASTICITY_ISOTROPIC_ID case (PLASTICITY_PHENOPOWERLAW_label) phase_plasticity(p) = PLASTICITY_PHENOPOWERLAW_ID case (PLASTICITY_KINEHARDENING_label) phase_plasticity(p) = PLASTICITY_KINEHARDENING_ID case (PLASTICITY_DISLOTWIN_label) phase_plasticity(p) = PLASTICITY_DISLOTWIN_ID case (PLASTICITY_DISLOUCLA_label) phase_plasticity(p) = PLASTICITY_DISLOUCLA_ID case (PLASTICITY_NONLOCAL_label) phase_plasticity(p) = PLASTICITY_NONLOCAL_ID case default call IO_error(201,ext_msg=trim(config_phase(p)%getString('plasticity'))) end select enddo allocate(phase_source(maxval(phase_Nsources),size(config_phase)), source=SOURCE_undefined_ID) allocate(phase_kinematics(maxval(phase_Nkinematics),size(config_phase)), source=KINEMATICS_undefined_ID) allocate(phase_stiffnessDegradation(maxval(phase_NstiffnessDegradations),size(config_phase)), & source=STIFFNESS_DEGRADATION_undefined_ID) do p=1, size(config_phase) #if defined(__GFORTRAN__) || defined(__PGI) str = ['GfortranBug86277'] str = config_phase(p)%getStrings('(source)',defaultVal=str) if (str(1) == 'GfortranBug86277') str = [character(len=65536)::] #else str = config_phase(p)%getStrings('(source)',defaultVal=[character(len=65536)::]) #endif do sourceCtr = 1, size(str) select case (trim(str(sourceCtr))) case (SOURCE_thermal_dissipation_label) phase_source(sourceCtr,p) = SOURCE_thermal_dissipation_ID case (SOURCE_thermal_externalheat_label) phase_source(sourceCtr,p) = SOURCE_thermal_externalheat_ID case (SOURCE_damage_isoBrittle_label) phase_source(sourceCtr,p) = SOURCE_damage_isoBrittle_ID case (SOURCE_damage_isoDuctile_label) phase_source(sourceCtr,p) = SOURCE_damage_isoDuctile_ID case (SOURCE_damage_anisoBrittle_label) phase_source(sourceCtr,p) = SOURCE_damage_anisoBrittle_ID case (SOURCE_damage_anisoDuctile_label) phase_source(sourceCtr,p) = SOURCE_damage_anisoDuctile_ID end select enddo #if defined(__GFORTRAN__) || defined(__PGI) str = ['GfortranBug86277'] str = config_phase(p)%getStrings('(kinematics)',defaultVal=str) if (str(1) == 'GfortranBug86277') str = [character(len=65536)::] #else str = config_phase(p)%getStrings('(kinematics)',defaultVal=[character(len=65536)::]) #endif do kinematicsCtr = 1, size(str) select case (trim(str(kinematicsCtr))) case (KINEMATICS_cleavage_opening_label) phase_kinematics(kinematicsCtr,p) = KINEMATICS_cleavage_opening_ID case (KINEMATICS_slipplane_opening_label) phase_kinematics(kinematicsCtr,p) = KINEMATICS_slipplane_opening_ID case (KINEMATICS_thermal_expansion_label) phase_kinematics(kinematicsCtr,p) = KINEMATICS_thermal_expansion_ID end select enddo #if defined(__GFORTRAN__) || defined(__PGI) str = ['GfortranBug86277'] str = config_phase(p)%getStrings('(stiffness_degradation)',defaultVal=str) if (str(1) == 'GfortranBug86277') str = [character(len=65536)::] #else str = config_phase(p)%getStrings('(stiffness_degradation)',defaultVal=[character(len=65536)::]) #endif do stiffDegradationCtr = 1, size(str) select case (trim(str(stiffDegradationCtr))) case (STIFFNESS_DEGRADATION_damage_label) phase_stiffnessDegradation(stiffDegradationCtr,p) = STIFFNESS_DEGRADATION_damage_ID end select enddo enddo allocate(phase_plasticityInstance(size(config_phase)), source=0) allocate(phase_elasticityInstance(size(config_phase)), source=0) do p=1, size(config_phase) phase_elasticityInstance(p) = count(phase_elasticity(1:p) == phase_elasticity(p)) phase_plasticityInstance(p) = count(phase_plasticity(1:p) == phase_plasticity(p)) enddo end subroutine material_parsePhase !-------------------------------------------------------------------------------------------------- !> @brief parses the texture part in the material configuration file !-------------------------------------------------------------------------------------------------- subroutine material_parseTexture integer :: j, t, i character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config integer, dimension(:), allocatable :: chunkPos real(pReal), dimension(3,3) :: texture_transformation ! maps texture to microstructure coordinate system type(rotation) :: eulers do t=1, size(config_texture) if (config_texture(t)%countKeys('(gauss)') /= 1) call IO_error(147,ext_msg='count((gauss)) != 1') if (config_texture(t)%keyExists('symmetry')) call IO_error(147,ext_msg='symmetry') if (config_texture(t)%keyExists('(random)')) call IO_error(147,ext_msg='(random)') if (config_texture(t)%keyExists('(fiber)')) call IO_error(147,ext_msg='(fiber)') enddo allocate(texture_Gauss (3,size(config_texture)), source=0.0_pReal) do t=1, size(config_texture) strings = config_texture(t)%getStrings('(gauss)',raw= .true.) do i = 1 , size(strings) chunkPos = IO_stringPos(strings(i)) do j = 1,9,2 select case (IO_stringValue(strings(i),chunkPos,j)) case('phi1') texture_Gauss(1,t) = IO_floatValue(strings(i),chunkPos,j+1)*inRad case('phi') texture_Gauss(2,t) = IO_floatValue(strings(i),chunkPos,j+1)*inRad case('phi2') texture_Gauss(3,t) = IO_floatValue(strings(i),chunkPos,j+1)*inRad end select enddo enddo if (config_texture(t)%keyExists('axes')) then strings = config_texture(t)%getStrings('axes') do j = 1, 3 ! look for "x", "y", and "z" entries select case (strings(j)) case('x', '+x') texture_transformation(j,1:3) = [ 1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now +x-axis case('-x') texture_transformation(j,1:3) = [-1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now -x-axis case('y', '+y') texture_transformation(j,1:3) = [ 0.0_pReal, 1.0_pReal, 0.0_pReal] ! original axis is now +y-axis case('-y') texture_transformation(j,1:3) = [ 0.0_pReal,-1.0_pReal, 0.0_pReal] ! original axis is now -y-axis case('z', '+z') texture_transformation(j,1:3) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal] ! original axis is now +z-axis case('-z') texture_transformation(j,1:3) = [ 0.0_pReal, 0.0_pReal,-1.0_pReal] ! original axis is now -z-axis case default call IO_error(157,t) end select enddo if(dNeq(math_det33(texture_transformation),1.0_pReal)) call IO_error(157,t) call eulers%fromEulerAngles(texture_Gauss(:,t)) texture_Gauss(:,t) = math_RtoEuler(matmul(eulers%asRotationMatrix(),texture_transformation)) endif enddo end subroutine material_parseTexture !-------------------------------------------------------------------------------------------------- !> @brief allocates the plastic state of a phase !-------------------------------------------------------------------------------------------------- subroutine material_allocatePlasticState(phase,NofMyPhase,& sizeState,sizeDotState,sizeDeltaState,& Nslip,Ntwin,Ntrans) integer, intent(in) :: & phase, & NofMyPhase, & sizeState, & sizeDotState, & sizeDeltaState, & Nslip, & Ntwin, & Ntrans plasticState(phase)%sizeState = sizeState plasticState(phase)%sizeDotState = sizeDotState plasticState(phase)%sizeDeltaState = sizeDeltaState plasticState(phase)%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition plasticState(phase)%Nslip = Nslip plasticState(phase)%Ntwin = Ntwin plasticState(phase)%Ntrans= Ntrans 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)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) if (numerics_integrator == 1) then allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) endif if (numerics_integrator == 4) & allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) if (numerics_integrator == 5) & allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) end subroutine material_allocatePlasticState !-------------------------------------------------------------------------------------------------- !> @brief allocates the source state of a phase !-------------------------------------------------------------------------------------------------- subroutine material_allocateSourceState(phase,of,NofMyPhase,& sizeState,sizeDotState,sizeDeltaState) integer, intent(in) :: & phase, & of, & NofMyPhase, & sizeState, sizeDotState,sizeDeltaState sourceState(phase)%p(of)%sizeState = sizeState sourceState(phase)%p(of)%sizeDotState = sizeDotState sourceState(phase)%p(of)%sizeDeltaState = sizeDeltaState sourceState(phase)%p(of)%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition allocate(sourceState(phase)%p(of)%aTolState (sizeState), source=0.0_pReal) allocate(sourceState(phase)%p(of)%state0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%state (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) if (numerics_integrator == 1) then allocate(sourceState(phase)%p(of)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) endif if (numerics_integrator == 4) & allocate(sourceState(phase)%p(of)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) if (numerics_integrator == 5) & allocate(sourceState(phase)%p(of)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) end subroutine material_allocateSourceState !-------------------------------------------------------------------------------------------------- !> @brief populates the grains !> @details populates the grains by identifying active microstructure/homogenization pairs, !! calculates the volume of the grains and deals with texture components !-------------------------------------------------------------------------------------------------- subroutine material_populateGrains integer :: e,i,c,homog,micro allocate(material_phase(homogenization_maxNgrains,discretization_nIP,discretization_nElem), source=0) allocate(material_texture(homogenization_maxNgrains,discretization_nIP,discretization_nElem), source=0) allocate(material_EulerAngles(3,homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0.0_pReal) do e = 1, discretization_nElem do i = 1, discretization_nIP homog = discretization_homogenizationAt(e) micro = discretization_microstructureAt(e) do c = 1, homogenization_Ngrains(homog) material_phase(c,i,e) = microstructure_phase(c,micro) material_texture(c,i,e) = microstructure_texture(c,micro) material_EulerAngles(1:3,c,i,e) = texture_Gauss(1:3,material_texture(c,i,e)) enddo enddo enddo deallocate(microstructure_phase) deallocate(microstructure_texture) end subroutine material_populateGrains end module material