!-------------------------------------------------------------------------------------------------- !> @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 !-------------------------------------------------------------------------------------------------- module material use prec use math use config use results use IO use rotations use discretization implicit none private 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_DISLOTUNGSTEN_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 character(len=pStringLen), public, protected, allocatable, dimension(:) :: & material_name_phase, & !< name of each phase material_name_homogenization !< name of each homogenization 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(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable, public, protected :: & homogenization_type !< type of each homogenization integer, public, protected :: & material_Nhomogenization !< number of homogenizations integer, public, protected :: & homogenization_maxNgrains !< max number of grains in any USED homogenization integer, dimension(:), allocatable, public, protected :: & homogenization_Ngrains, & !< number of grains in each 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 real(pReal), dimension(:), allocatable, public, protected :: & thermal_initialT, & !< initial temperature per each homogenization damage_initialPhi !< initial damage per each homogenization integer, dimension(:), allocatable, public, protected :: & ! (elem) material_homogenizationAt !< homogenization ID of each element integer, dimension(:,:), allocatable, public, target :: & ! (ip,elem) ToDo: ugly target for mapping hack 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,elem) material_phaseMemberAt !< position of the element within its phase instance type(tState), allocatable, dimension(:), public :: & homogState, & thermalState, & damageState type(Rotation), dimension(:,:,:), allocatable, public, protected :: & material_orientation0 !< initial orientation of each grain,IP,element integer, dimension(:), allocatable, private :: & microstructure_Nconstituents !< number of constituents in each microstructure ! BEGIN DEPRECATED 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, & 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_DISLOTUNGSTEN_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_NONE_ID, & HOMOGENIZATION_ISOSTRAIN_ID, & HOMOGENIZATION_RGC_ID contains !-------------------------------------------------------------------------------------------------- !> @brief parses material configuration file !-------------------------------------------------------------------------------------------------- subroutine material_init(restart) logical, intent(in) :: restart integer :: ph, myHomog class(tNode), pointer :: & phases, & material_homogenization character(len=pStringLen) :: sectionName print'(/,a)', ' <<<+- material init -+>>>'; flush(IO_STDOUT) phases => config_material%get('phase') allocate(material_name_phase(phases%length)) do ph = 1, phases%length write(sectionName,'(i0,a)') ph,'_' material_name_phase(ph) = trim(adjustl(sectionName))//phases%getKey(ph) !ToDO: No reason to do. Update damage tests enddo material_homogenization => config_material%get('homogenization') allocate(material_name_homogenization(material_homogenization%length)) do myHomog = 1, material_homogenization%length write(sectionName,'(i0,a)') myHomog,'_' material_name_homogenization(myHomog) = trim(adjustl(sectionName))//material_homogenization%getKey(myHomog) enddo call material_parseMicrostructure print*, 'Microstructure parsed' call material_parseHomogenization print*, 'Homogenization parsed' if(homogenization_maxNgrains > size(material_phaseAt,1)) call IO_error(148) allocate(homogState (material_Nhomogenization)) allocate(thermalState (material_Nhomogenization)) allocate(damageState (material_Nhomogenization)) allocate(thermalMapping (material_Nhomogenization)) allocate(damageMapping (material_Nhomogenization)) allocate(temperature (material_Nhomogenization)) allocate(damage (material_Nhomogenization)) allocate(temperatureRate (material_Nhomogenization)) if (.not. restart) then call results_openJobFile call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,material_name_phase) call results_mapping_materialpoint(material_homogenizationAt,material_homogenizationMemberAt,material_name_homogenization) call results_closeJobFile endif !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! BEGIN DEPRECATED allocate(mappingHomogenizationConst( discretization_nIP,discretization_nElem),source=1) ! hack needed to initialize field values used during constitutive initialization do myHomog = 1,material_Nhomogenization 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 DEPRECATED end subroutine material_init !-------------------------------------------------------------------------------------------------- !> @brief parses the homogenization part from the material configuration ! ToDo: This should be done in homogenization !-------------------------------------------------------------------------------------------------- subroutine material_parseHomogenization class(tNode), pointer :: & material_homogenization, & homog, & homogMech, & homogThermal, & homogDamage integer :: h material_homogenization => config_material%get('homogenization') material_Nhomogenization = material_homogenization%length allocate(homogenization_type(material_Nhomogenization), source=HOMOGENIZATION_undefined_ID) allocate(thermal_type(material_Nhomogenization), source=THERMAL_isothermal_ID) allocate(damage_type (material_Nhomogenization), source=DAMAGE_none_ID) allocate(homogenization_typeInstance(material_Nhomogenization), source=0) allocate(thermal_typeInstance(material_Nhomogenization), source=0) allocate(damage_typeInstance(material_Nhomogenization), source=0) allocate(homogenization_Ngrains(material_Nhomogenization), source=0) allocate(thermal_initialT(material_Nhomogenization), source=300.0_pReal) allocate(damage_initialPhi(material_Nhomogenization), source=1.0_pReal) do h=1, material_Nhomogenization homog => material_homogenization%get(h) homogMech => homog%get('mech') select case (homogMech%get_asString('type')) case('none') homogenization_type(h) = HOMOGENIZATION_NONE_ID homogenization_Ngrains(h) = 1 case('isostrain') homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID homogenization_Ngrains(h) = homogMech%get_asInt('N_constituents') case('RGC') homogenization_type(h) = HOMOGENIZATION_RGC_ID homogenization_Ngrains(h) = homogMech%get_asInt('N_constituents') case default call IO_error(500,ext_msg=homogMech%get_asString('type')) end select homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h)) if(homog%contains('thermal')) then homogThermal => homog%get('thermal') thermal_initialT(h) = homogThermal%get_asFloat('T_0',defaultVal=300.0_pReal) select case (homogThermal%get_asString('type')) case('isothermal') thermal_type(h) = THERMAL_isothermal_ID case('adiabatic') thermal_type(h) = THERMAL_adiabatic_ID case('conduction') thermal_type(h) = THERMAL_conduction_ID case default call IO_error(500,ext_msg=homogThermal%get_asString('type')) end select endif if(homog%contains('damage')) then homogDamage => homog%get('damage') damage_initialPhi(h) = homogDamage%get_asFloat('phi_0',defaultVal=1.0_pReal) select case (homogDamage%get_asString('type')) case('none') damage_type(h) = DAMAGE_none_ID case('local') damage_type(h) = DAMAGE_local_ID case('nonlocal') damage_type(h) = DAMAGE_nonlocal_ID case default call IO_error(500,ext_msg=homogDamage%get_asString('type')) end select endif enddo do h=1, material_Nhomogenization 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) end subroutine material_parseHomogenization !-------------------------------------------------------------------------------------------------- !> @brief parses the microstructure part in the material configuration file !-------------------------------------------------------------------------------------------------- subroutine material_parseMicrostructure class(tNode), pointer :: microstructures, & !> list of microstructures microstructure, & !> microstructure definition constituents, & !> list of constituents constituent, & !> constituent definition phases, & homogenization integer, dimension(:), allocatable :: & counterPhase, & counterHomogenization real(pReal) :: & frac integer :: & e, & i, & m, & c, & maxNconstituents microstructures => config_material%get('microstructure') if(any(discretization_microstructureAt > microstructures%length)) & call IO_error(155,ext_msg='More microstructures requested than found in material.yaml') allocate(microstructure_Nconstituents(microstructures%length),source=0) do m = 1, microstructures%length microstructure => microstructures%get(m) constituents => microstructure%get('constituents') microstructure_Nconstituents(m) = constituents%length enddo maxNconstituents = maxval(microstructure_Nconstituents) allocate(material_homogenizationAt(discretization_nElem),source=0) allocate(material_homogenizationMemberAt(discretization_nIP,discretization_nElem),source=0) allocate(material_phaseAt(maxNconstituents,discretization_nElem),source=0) allocate(material_phaseMemberAt(maxNconstituents,discretization_nIP,discretization_nElem),source=0) allocate(material_orientation0(maxNconstituents,discretization_nIP,discretization_nElem)) phases => config_material%get('phase') allocate(counterPhase(phases%length),source=0) homogenization => config_material%get('homogenization') allocate(counterHomogenization(homogenization%length),source=0) do e = 1, discretization_nElem microstructure => microstructures%get(discretization_microstructureAt(e)) constituents => microstructure%get('constituents') material_homogenizationAt(e) = homogenization%getIndex(microstructure%get_asString('homogenization')) do i = 1, discretization_nIP counterHomogenization(material_homogenizationAt(e)) = counterHomogenization(material_homogenizationAt(e)) + 1 material_homogenizationMemberAt(i,e) = counterHomogenization(material_homogenizationAt(e)) enddo frac = 0.0_pReal do c = 1, constituents%length constituent => constituents%get(c) frac = frac + constituent%get_asFloat('fraction') material_phaseAt(c,e) = phases%getIndex(constituent%get_asString('phase')) do i = 1, discretization_nIP counterPhase(material_phaseAt(c,e)) = counterPhase(material_phaseAt(c,e)) + 1 material_phaseMemberAt(c,i,e) = counterPhase(material_phaseAt(c,e)) call material_orientation0(c,i,e)%fromQuaternion(constituent%get_asFloats('orientation',requiredSize=4)) enddo enddo if (dNeq(frac,1.0_pReal)) call IO_error(153,ext_msg='constituent') enddo end subroutine material_parseMicrostructure end module material