1420 lines
74 KiB
Fortran
1420 lines
74 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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! $Id$
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!--------------------------------------------------------------------------------------------------
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Parses material config file, either solverJobName.materialConfig or material.config
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!> @details reads the material configuration file, where solverJobName.materialConfig takes
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!! precedence over material.config and parses the sections 'homogenization', 'crystallite',
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!! 'phase', 'texture', and 'microstucture'
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!--------------------------------------------------------------------------------------------------
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module material
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use prec, only: &
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pReal, &
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pInt, &
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tState, &
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#ifdef NEWSTATE
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hState, &
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fState, &
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#endif
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p_intvec
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implicit none
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private
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character(len=*), parameter, public :: &
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ELASTICITY_HOOKE_label = 'hooke', &
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PLASTICITY_NONE_label = 'none', &
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PLASTICITY_J2_label = 'j2', &
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PLASTICITY_PHENOPOWERLAW_label = 'phenopowerlaw', &
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PLASTICITY_DISLOTWIN_label = 'dislotwin', &
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PLASTICITY_DISLOKMC_label = 'dislokmc', &
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PLASTICITY_TITANMOD_label = 'titanmod', &
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PLASTICITY_NONLOCAL_label = 'nonlocal', &
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#ifdef NEWSTATE
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LOCAL_DAMAGE_NONE_label = 'none', &
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LOCAL_DAMAGE_BRITTLE_label = 'brittle', &
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LOCAL_THERMAL_NONE_label = 'none', &
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LOCAL_THERMAL_HEATGEN_label = 'heatgen', &
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FIELD_DAMAGE_LOCAL_label = 'local', &
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FIELD_DAMAGE_NONLOCAL_label = 'nonlocal', &
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FIELD_THERMAL_ADIABATIC_label = 'adiabatic', &
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FIELD_THERMAL_CONDUCTION_label = 'conduction', &
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#else
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DAMAGE_NONE_label = 'none', &
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DAMAGE_LOCAL_label = 'local', &
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DAMAGE_GRADIENT_label = 'gradient', &
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THERMAL_NONE_label = 'none', &
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THERMAL_ISO_label = 'isothermal', &
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THERMAL_CONDUCTION_label = 'conduction', &
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THERMAL_ADIABATIC_label = 'adiabatic', &
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#endif
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HOMOGENIZATION_NONE_label = 'none', &
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HOMOGENIZATION_ISOSTRAIN_label = 'isostrain', &
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HOMOGENIZATION_RGC_label = 'rgc'
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enum, bind(c)
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enumerator :: ELASTICITY_undefined_ID, &
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ELASTICITY_hooke_ID
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end enum
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enum, bind(c)
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enumerator :: PLASTICITY_undefined_ID, &
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PLASTICITY_none_ID, &
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PLASTICITY_J2_ID, &
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PLASTICITY_phenopowerlaw_ID, &
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PLASTICITY_dislotwin_ID, &
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PLASTICITY_dislokmc_ID, &
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PLASTICITY_titanmod_ID, &
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PLASTICITY_nonlocal_ID
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end enum
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#ifdef NEWSTATE
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enum, bind(c)
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enumerator :: LOCAL_DAMAGE_NONE_ID, &
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LOCAL_DAMAGE_BRITTLE_ID
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end enum
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enum, bind(c)
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enumerator :: LOCAL_THERMAL_NONE_ID, &
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LOCAL_THERMAL_HEATGEN_ID
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end enum
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enum, bind(c)
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enumerator :: FIELD_DAMAGE_LOCAL_ID ,&
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FIELD_DAMAGE_NONLOCAL_ID
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end enum
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enum, bind(c)
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enumerator :: FIELD_THERMAL_ADIABATIC_ID, &
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FIELD_THERMAL_CONDUCTION_ID
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end enum
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#else
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enum, bind(c)
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enumerator :: DAMAGE_none_ID, &
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DAMAGE_local_ID, &
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DAMAGE_gradient_ID
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end enum
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enum, bind(c)
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enumerator :: THERMAL_none_ID, &
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THERMAL_iso_ID, &
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THERMAL_conduction_ID, &
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THERMAL_adiabatic_ID
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end enum
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#endif
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enum, bind(c)
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enumerator :: HOMOGENIZATION_undefined_ID, &
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HOMOGENIZATION_none_ID, &
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HOMOGENIZATION_isostrain_ID, &
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HOMOGENIZATION_RGC_ID
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end enum
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character(len=*), parameter, public :: &
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MATERIAL_configFile = 'material.config', & !< generic name for material configuration file
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MATERIAL_localFileExt = 'materialConfig' !< extension of solver job name depending material configuration file
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character(len=*), parameter, public :: &
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MATERIAL_partHomogenization = 'homogenization', & !< keyword for homogenization part
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MATERIAL_partCrystallite = 'crystallite', & !< keyword for crystallite part
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MATERIAL_partPhase = 'phase' !< keyword for phase part
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integer(kind(ELASTICITY_undefined_ID)), dimension(:), allocatable, public, protected :: &
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phase_elasticity !< elasticity of each phase
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integer(kind(PLASTICITY_undefined_ID)), dimension(:), allocatable, public, protected :: &
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phase_plasticity !< plasticity of each phase
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#ifdef NEWSTATE
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integer(kind(LOCAL_DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: &
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phase_damage !< local damage of each phase
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integer(kind(LOCAL_THERMAL_none_ID)), dimension(:), allocatable, public, protected :: &
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phase_thermal !< local thermal of each phase
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integer(kind(FIELD_DAMAGE_LOCAL_ID)), dimension(:), allocatable, public, protected :: &
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field_damage_type !< field damage of each phase
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integer(kind(FIELD_THERMAL_ADIABATIC_ID)), dimension(:), allocatable, public, protected :: &
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field_thermal_type !< field thermal of each phase
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#else
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integer(kind(DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: &
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phase_damage !< damage of each phase
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integer(kind(THERMAL_none_ID)), dimension(:), allocatable, public, protected :: &
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phase_thermal !< thermal of each phase
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#endif
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integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable, public, protected :: &
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homogenization_type !< type of each homogenization
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character(len=64), dimension(:), allocatable, public, protected :: &
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phase_name, & !< name of each phase
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homogenization_name, & !< name of each homogenization
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crystallite_name !< name of each crystallite setting
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integer(pInt), public, protected :: &
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homogenization_maxNgrains, & !< max number of grains in any USED homogenization
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material_Nphase, & !< number of phases
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material_Nhomogenization, & !< number of homogenizations
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material_Nmicrostructure, & !< number of microstructures
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material_Ncrystallite !< number of crystallite settings
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integer(pInt), dimension(:), allocatable, public, protected :: &
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homogenization_Ngrains, & !< number of grains in each homogenization
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homogenization_Noutput, & !< number of '(output)' items per homogenization
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phase_Noutput, & !< number of '(output)' items per phase
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phase_elasticityInstance, & !< instance of particular elasticity of each phase
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phase_plasticityInstance, & !< instance of particular plasticity of each phase
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phase_damageInstance, & !< instance of particular damage of each phase
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phase_thermalInstance, & !< instance of particular thermal of each phase
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crystallite_Noutput, & !< number of '(output)' items per crystallite setting
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homogenization_typeInstance, & !< instance of particular type of each homogenization
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microstructure_crystallite !< crystallite setting ID of each microstructure
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integer(pInt), dimension(:,:,:), allocatable, public :: &
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material_phase !< phase (index) of each grain,IP,element
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#ifdef NEWSTATE
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integer(pInt), dimension(:,:), allocatable, public :: &
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material_homog !< homogenization (index) of each IP,element
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#endif
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type(tState), allocatable, dimension(:), public :: &
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plasticState, &
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damageState, &
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thermalState
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#ifdef NEWSTATE
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type(hState), allocatable, dimension(:), public :: &
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homogState
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type(fState), allocatable, dimension(:), public :: &
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fieldDamage
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type(fState), allocatable, dimension(:), public :: &
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fieldThermal
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#endif
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integer(pInt), dimension(:,:,:), allocatable, public, protected :: &
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material_texture !< texture (index) of each grain,IP,element
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real(pReal), dimension(:,:,:,:), allocatable, public, protected :: &
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material_EulerAngles !< initial orientation of each grain,IP,element
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logical, dimension(:), allocatable, public, protected :: &
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microstructure_active, &
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microstructure_elemhomo, & !< flag to indicate homogeneous microstructure distribution over element's IPs
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phase_localPlasticity !< flags phases with local constitutive law
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character(len=*), parameter, private :: &
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MATERIAL_partMicrostructure = 'microstructure', & !< keyword for microstructure part
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MATERIAL_partTexture = 'texture' !< keyword for texture part
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character(len=64), dimension(:), allocatable, private :: &
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microstructure_name, & !< name of each microstructure
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texture_name !< name of each texture
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character(len=256), dimension(:), allocatable, private :: &
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texture_ODFfile !< name of each ODF file
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integer(pInt), private :: &
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material_Ntexture, & !< number of textures
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microstructure_maxNconstituents, & !< max number of constituents in any phase
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texture_maxNgauss, & !< max number of Gauss components in any texture
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texture_maxNfiber !< max number of Fiber components in any texture
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integer(pInt), dimension(:), allocatable, private :: &
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microstructure_Nconstituents, & !< number of constituents in each microstructure
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texture_symmetry, & !< number of symmetric orientations per texture
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texture_Ngauss, & !< number of Gauss components per texture
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texture_Nfiber !< number of Fiber components per texture
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integer(pInt), dimension(:,:), allocatable, private :: &
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microstructure_phase, & !< phase IDs of each microstructure
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microstructure_texture !< texture IDs of each microstructure
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real(pReal), dimension(:,:), allocatable, private :: &
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microstructure_fraction !< vol fraction of each constituent in microstructure
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real(pReal), dimension(:,:,:), allocatable, private :: &
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material_volume, & !< volume of each grain,IP,element
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texture_Gauss, & !< data of each Gauss component
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texture_Fiber, & !< data of each Fiber component
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texture_transformation !< transformation for each texture
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logical, dimension(:), allocatable, private :: &
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homogenization_active
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integer(pInt), dimension(:,:,:,:), allocatable, public, protected :: mappingConstitutive
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integer(pInt), dimension(:,:,:), allocatable, public, protected :: mappingCrystallite
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#ifdef NEWSTATE
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integer(pInt), dimension(:,:,:), allocatable, public, protected :: mappingHomogenization
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#endif
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integer(pInt), dimension(:), allocatable :: ConstitutivePosition
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integer(pInt), dimension(:), allocatable :: CrystallitePosition
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#ifdef NEWSTATE
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integer(pInt), dimension(:), allocatable :: HomogenizationPosition
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#endif
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public :: &
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material_init, &
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ELASTICITY_hooke_ID ,&
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PLASTICITY_none_ID, &
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PLASTICITY_J2_ID, &
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PLASTICITY_phenopowerlaw_ID, &
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PLASTICITY_dislotwin_ID, &
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PLASTICITY_dislokmc_ID, &
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PLASTICITY_titanmod_ID, &
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PLASTICITY_nonlocal_ID, &
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#ifdef NEWSTATE
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LOCAL_DAMAGE_none_ID, &
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LOCAL_DAMAGE_brittle_ID, &
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LOCAL_THERMAL_none_ID, &
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LOCAL_THERMAL_heatgen_ID, &
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FIELD_DAMAGE_LOCAL_ID, &
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FIELD_DAMAGE_NONLOCAL_ID, &
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FIELD_THERMAL_ADIABATIC_ID, &
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FIELD_THERMAL_CONDUCTION_ID, &
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#else
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DAMAGE_none_ID, &
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DAMAGE_local_ID, &
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DAMAGE_gradient_ID, &
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THERMAL_none_ID, &
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THERMAL_iso_ID, &
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THERMAL_conduction_ID, &
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THERMAL_adiabatic_ID, &
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#endif
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HOMOGENIZATION_none_ID, &
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HOMOGENIZATION_isostrain_ID, &
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#ifdef HDF
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material_NconstituentsPhase, &
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#endif
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HOMOGENIZATION_RGC_ID
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private :: &
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material_parseHomogenization, &
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material_parseMicrostructure, &
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material_parseCrystallite, &
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material_parsePhase, &
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material_parseTexture, &
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material_populateGrains
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief parses material configuration file
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!> @details figures out if solverJobName.materialConfig is present, if not looks for
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!> material.config
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!--------------------------------------------------------------------------------------------------
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subroutine material_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use IO, only: &
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IO_error, &
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IO_open_file, &
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IO_open_jobFile_stat, &
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IO_timeStamp
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use debug, only: &
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debug_level, &
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debug_material, &
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debug_levelBasic, &
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debug_levelExtensive
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use mesh, only: &
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mesh_maxNips, &
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mesh_NcpElems, &
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mesh_element, &
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FE_Nips, &
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FE_geomtype
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implicit none
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integer(pInt), parameter :: FILEUNIT = 200_pInt
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integer(pInt) :: m,c,h, myDebug, myHomog
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integer(pInt) :: &
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g, & !< grain number
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i, & !< integration point number
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e, & !< element number
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phase
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myDebug = debug_level(debug_material)
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write(6,'(/,a)') ' <<<+- material init -+>>>'
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write(6,'(a)') ' $Id$'
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present...
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call IO_open_file(FILEUNIT,material_configFile) ! ...open material.config file
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call material_parseHomogenization(FILEUNIT,material_partHomogenization)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'
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call material_parseMicrostructure(FILEUNIT,material_partMicrostructure)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'
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call material_parseCrystallite(FILEUNIT,material_partCrystallite)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'
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call material_parseTexture(FILEUNIT,material_partTexture)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'
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call material_parsePhase(FILEUNIT,material_partPhase)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'
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close(FILEUNIT)
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allocate(plasticState(material_Nphase))
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allocate(damageState (material_Nphase))
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allocate(thermalState(material_Nphase))
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#ifdef NEWSTATE
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allocate(homogState (material_Nhomogenization))
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allocate(fieldDamage (material_Nhomogenization))
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allocate(fieldThermal(material_Nhomogenization))
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#endif
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do m = 1_pInt,material_Nmicrostructure
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if(microstructure_crystallite(m) < 1_pInt .or. &
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microstructure_crystallite(m) > material_Ncrystallite) &
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call IO_error(150_pInt,m,ext_msg='crystallite')
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if(minval(microstructure_phase(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. &
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maxval(microstructure_phase(1:microstructure_Nconstituents(m),m)) > material_Nphase) &
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call IO_error(150_pInt,m,ext_msg='phase')
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if(minval(microstructure_texture(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. &
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maxval(microstructure_texture(1:microstructure_Nconstituents(m),m)) > material_Ntexture) &
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call IO_error(150_pInt,m,ext_msg='texture')
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if(microstructure_Nconstituents(m) < 1_pInt) &
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call IO_error(151_pInt,m)
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enddo
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debugOut: if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then
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write(6,'(/,a,/)') ' MATERIAL configuration'
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write(6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains'
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do h = 1_pInt,material_Nhomogenization
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write(6,'(1x,a32,1x,a16,1x,i6)') homogenization_name(h),homogenization_type(h),homogenization_Ngrains(h)
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enddo
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write(6,'(/,a14,18x,1x,a11,1x,a12,1x,a13)') 'microstructure','crystallite','constituents','homogeneous'
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do m = 1_pInt,material_Nmicrostructure
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write(6,'(1x,a32,1x,i11,1x,i12,1x,l13)') microstructure_name(m), &
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microstructure_crystallite(m), &
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microstructure_Nconstituents(m), &
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microstructure_elemhomo(m)
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if (microstructure_Nconstituents(m) > 0_pInt) then
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do c = 1_pInt,microstructure_Nconstituents(m)
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write(6,'(a1,1x,a32,1x,a32,1x,f7.4)') '>',phase_name(microstructure_phase(c,m)),&
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texture_name(microstructure_texture(c,m)),&
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microstructure_fraction(c,m)
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enddo
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write(6,*)
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endif
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enddo
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endif debugOut
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call material_populateGrains
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allocate(mappingConstitutive(2,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
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#ifdef NEWSTATE
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allocate(mappingHomogenization(2,mesh_maxNips,mesh_NcpElems),source=0_pInt)
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#endif
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allocate(mappingCrystallite (2,homogenization_maxNgrains,mesh_NcpElems),source=0_pInt)
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allocate(ConstitutivePosition(material_Nphase),source=0_pInt)
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#ifdef NEWSTATE
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allocate(HomogenizationPosition(material_Nhomogenization),source=0_pInt)
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#endif
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allocate(CrystallitePosition(material_Nphase),source=0_pInt)
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ElemLoop:do e = 1_pInt,mesh_NcpElems ! loop over elements
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myHomog = mesh_element(3,e)
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IPloop:do i = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,e))) ! loop over IPs
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#ifdef NEWSTATE
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HomogenizationPosition(myHomog) = HomogenizationPosition(myHomog) + 1_pInt
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mappingHomogenization(1:2,i,e) = [HomogenizationPosition(myHomog),myHomog]
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#endif
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GrainLoop:do g = 1_pInt,homogenization_Ngrains(mesh_element(3,e)) ! loop over grains
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phase = material_phase(g,i,e)
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ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt ! not distinguishing between instances of same phase
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mappingConstitutive(1:2,g,i,e) = [ConstitutivePosition(phase),phase]
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enddo GrainLoop
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enddo IPloop
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enddo ElemLoop
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end subroutine material_init
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!--------------------------------------------------------------------------------------------------
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!> @brief parses the homogenization part in the material configuration file
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseHomogenization(fileUnit,myPart)
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use IO, only: &
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IO_read, &
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IO_globalTagInPart, &
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IO_countSections, &
|
|
IO_error, &
|
|
IO_countTagInPart, &
|
|
IO_lc, &
|
|
IO_getTag, &
|
|
IO_isBlank, &
|
|
IO_stringValue, &
|
|
IO_intValue, &
|
|
IO_stringPos, &
|
|
IO_EOF
|
|
use mesh, only: &
|
|
mesh_element
|
|
|
|
implicit none
|
|
character(len=*), intent(in) :: myPart
|
|
integer(pInt), intent(in) :: fileUnit
|
|
|
|
integer(pInt), parameter :: MAXNCHUNKS = 2_pInt
|
|
|
|
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
|
|
integer(pInt) :: Nsections, section, s
|
|
character(len=65536) :: &
|
|
tag, line
|
|
logical :: echo
|
|
|
|
echo = IO_globalTagInPart(fileUnit,myPart,'/echo/')
|
|
Nsections = IO_countSections(fileUnit,myPart)
|
|
material_Nhomogenization = Nsections
|
|
if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
|
|
|
|
allocate(homogenization_name(Nsections)); homogenization_name = ''
|
|
allocate(homogenization_type(Nsections), source=HOMOGENIZATION_undefined_ID)
|
|
#ifdef NEWSTATE
|
|
allocate(FIELD_DAMAGE_type(Nsections), source=FIELD_DAMAGE_LOCAL_ID)
|
|
allocate(FIELD_THERMAL_type(Nsections), source=FIELD_THERMAL_ADIABATIC_ID)
|
|
#endif
|
|
allocate(homogenization_typeInstance(Nsections), source=0_pInt)
|
|
allocate(homogenization_Ngrains(Nsections), source=0_pInt)
|
|
allocate(homogenization_Noutput(Nsections), source=0_pInt)
|
|
allocate(homogenization_active(Nsections), source=.false.) !!!!!!!!!!!!!!!
|
|
|
|
forall (s = 1_pInt:Nsections) homogenization_active(s) = any(mesh_element(3,:) == s) ! current homogenization used in model? Homogenization view, maximum operations depend on maximum number of homog schemes
|
|
homogenization_Noutput = IO_countTagInPart(fileUnit,myPart,'(output)',Nsections)
|
|
|
|
rewind(fileUnit)
|
|
line = '' ! to have it initialized
|
|
section = 0_pInt ! - " -
|
|
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to <homogenization>
|
|
line = IO_read(fileUnit)
|
|
enddo
|
|
if (echo) write(6,'(/,1x,a)') trim(line) ! echo part header
|
|
|
|
do while (trim(line) /= IO_EOF) ! read through sections of material 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 (echo) write(6,'(2x,a)') trim(line) ! echo back read lines
|
|
if (IO_getTag(line,'[',']') /= '') then ! next section
|
|
section = section + 1_pInt
|
|
homogenization_name(section) = IO_getTag(line,'[',']')
|
|
endif
|
|
if (section > 0_pInt) then
|
|
positions = IO_stringPos(line,MAXNCHUNKS)
|
|
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
|
select case(tag)
|
|
case ('type')
|
|
select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
|
|
case(HOMOGENIZATION_NONE_label)
|
|
homogenization_type(section) = HOMOGENIZATION_NONE_ID
|
|
homogenization_Ngrains(section) = 1_pInt
|
|
case(HOMOGENIZATION_ISOSTRAIN_label)
|
|
homogenization_type(section) = HOMOGENIZATION_ISOSTRAIN_ID
|
|
case(HOMOGENIZATION_RGC_label)
|
|
homogenization_type(section) = HOMOGENIZATION_RGC_ID
|
|
case default
|
|
call IO_error(500_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
|
|
end select
|
|
homogenization_typeInstance(section) = &
|
|
count(homogenization_type==homogenization_type(section)) ! count instances
|
|
#ifdef NEWSTATE
|
|
case ('field_damage')
|
|
select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
|
|
case(FIELD_DAMAGE_LOCAL_label)
|
|
FIELD_DAMAGE_type(section) = FIELD_DAMAGE_LOCAL_ID
|
|
case(FIELD_DAMAGE_NONLOCAL_label)
|
|
FIELD_DAMAGE_type(section) = FIELD_DAMAGE_NONLOCAL_ID
|
|
case default
|
|
call IO_error(500_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
|
|
end select
|
|
|
|
case ('field_thermal')
|
|
select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
|
|
case(FIELD_THERMAL_ADIABATIC_label)
|
|
FIELD_THERMAL_type(section) = FIELD_THERMAL_ADIABATIC_ID
|
|
case(FIELD_THERMAL_CONDUCTION_label)
|
|
FIELD_THERMAL_type(section) = FIELD_THERMAL_CONDUCTION_ID
|
|
case default
|
|
call IO_error(500_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
|
|
end select
|
|
#endif
|
|
|
|
case ('nconstituents','ngrains')
|
|
homogenization_Ngrains(section) = IO_intValue(line,positions,2_pInt)
|
|
end select
|
|
endif
|
|
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(fileUnit,myPart)
|
|
use IO
|
|
use mesh, only: &
|
|
mesh_element, &
|
|
mesh_NcpElems
|
|
|
|
implicit none
|
|
character(len=*), intent(in) :: myPart
|
|
integer(pInt), intent(in) :: fileUnit
|
|
|
|
integer(pInt), parameter :: MAXNCHUNKS = 7_pInt
|
|
|
|
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
|
|
integer(pInt) :: Nsections, section, constituent, e, i
|
|
character(len=65536) :: &
|
|
tag, line
|
|
logical :: echo
|
|
|
|
echo = IO_globalTagInPart(fileUnit,myPart,'/echo/')
|
|
|
|
Nsections = IO_countSections(fileUnit,myPart)
|
|
material_Nmicrostructure = Nsections
|
|
if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
|
|
|
|
allocate(microstructure_name(Nsections)); microstructure_name = ''
|
|
allocate(microstructure_crystallite(Nsections), source=0_pInt)
|
|
allocate(microstructure_Nconstituents(Nsections), source=0_pInt)
|
|
allocate(microstructure_active(Nsections), source=.false.)
|
|
allocate(microstructure_elemhomo(Nsections), source=.false.)
|
|
|
|
if(any(mesh_element(4,1:mesh_NcpElems) > Nsections)) &
|
|
call IO_error(155_pInt,ext_msg='Microstructure in geometry > Sections in material.config')
|
|
|
|
forall (e = 1_pInt:mesh_NcpElems) microstructure_active(mesh_element(4,e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements
|
|
|
|
microstructure_Nconstituents = IO_countTagInPart(fileUnit,myPart,'(constituent)',Nsections)
|
|
microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
|
|
microstructure_elemhomo = IO_spotTagInPart(fileUnit,myPart,'/elementhomogeneous/',Nsections)
|
|
|
|
allocate(microstructure_phase (microstructure_maxNconstituents,Nsections),source=0_pInt)
|
|
allocate(microstructure_texture (microstructure_maxNconstituents,Nsections),source=0_pInt)
|
|
allocate(microstructure_fraction(microstructure_maxNconstituents,Nsections),source=0.0_pReal)
|
|
|
|
rewind(fileUnit)
|
|
line = '' ! to have it initialized
|
|
section = 0_pInt ! - " -
|
|
constituent = 0_pInt ! - " -
|
|
|
|
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to <microstructure>
|
|
line = IO_read(fileUnit)
|
|
enddo
|
|
if (echo) write(6,'(/,1x,a)') trim(line) ! echo part header
|
|
|
|
do while (trim(line) /= IO_EOF) ! read through sections of material 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 (echo) write(6,'(2x,a)') trim(line) ! echo back read lines
|
|
if (IO_getTag(line,'[',']') /= '') then ! next section
|
|
section = section + 1_pInt
|
|
constituent = 0_pInt
|
|
microstructure_name(section) = IO_getTag(line,'[',']')
|
|
endif
|
|
if (section > 0_pInt) then
|
|
positions = IO_stringPos(line,MAXNCHUNKS)
|
|
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
|
select case(tag)
|
|
case ('crystallite')
|
|
microstructure_crystallite(section) = IO_intValue(line,positions,2_pInt)
|
|
case ('(constituent)')
|
|
constituent = constituent + 1_pInt
|
|
do i=2_pInt,6_pInt,2_pInt
|
|
tag = IO_lc(IO_stringValue(line,positions,i))
|
|
select case (tag)
|
|
case('phase')
|
|
microstructure_phase(constituent,section) = IO_intValue(line,positions,i+1_pInt)
|
|
case('texture')
|
|
microstructure_texture(constituent,section) = IO_intValue(line,positions,i+1_pInt)
|
|
case('fraction')
|
|
microstructure_fraction(constituent,section) = IO_floatValue(line,positions,i+1_pInt)
|
|
end select
|
|
enddo
|
|
end select
|
|
endif
|
|
enddo
|
|
|
|
end subroutine material_parseMicrostructure
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief parses the crystallite part in the material configuration file
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine material_parseCrystallite(fileUnit,myPart)
|
|
use IO, only: &
|
|
IO_read, &
|
|
IO_countSections, &
|
|
IO_error, &
|
|
IO_countTagInPart, &
|
|
IO_globalTagInPart, &
|
|
IO_getTag, &
|
|
IO_lc, &
|
|
IO_isBlank, &
|
|
IO_EOF
|
|
|
|
implicit none
|
|
character(len=*), intent(in) :: myPart
|
|
integer(pInt), intent(in) :: fileUnit
|
|
|
|
integer(pInt) :: Nsections, &
|
|
section
|
|
character(len=65536) :: line
|
|
logical :: echo
|
|
|
|
echo = IO_globalTagInPart(fileUnit,myPart,'/echo/')
|
|
|
|
Nsections = IO_countSections(fileUnit,myPart)
|
|
material_Ncrystallite = Nsections
|
|
if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
|
|
|
|
allocate(crystallite_name(Nsections)); crystallite_name = ''
|
|
allocate(crystallite_Noutput(Nsections), source=0_pInt)
|
|
|
|
crystallite_Noutput = IO_countTagInPart(fileUnit,myPart,'(output)',Nsections)
|
|
|
|
rewind(fileUnit)
|
|
line = '' ! to have it initialized
|
|
section = 0_pInt ! - " -
|
|
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to <Crystallite>
|
|
line = IO_read(fileUnit)
|
|
enddo
|
|
if (echo) write(6,'(/,1x,a)') trim(line) ! echo part header
|
|
|
|
do while (trim(line) /= IO_EOF) ! read through sections of material 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 (echo) write(6,'(2x,a)') trim(line) ! echo back read lines
|
|
if (IO_getTag(line,'[',']') /= '') then ! next section
|
|
section = section + 1_pInt
|
|
crystallite_name(section) = IO_getTag(line,'[',']')
|
|
endif
|
|
enddo
|
|
|
|
end subroutine material_parseCrystallite
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief parses the phase part in the material configuration file
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine material_parsePhase(fileUnit,myPart)
|
|
use IO, only: &
|
|
IO_read, &
|
|
IO_globalTagInPart, &
|
|
IO_countSections, &
|
|
IO_error, &
|
|
IO_countTagInPart, &
|
|
IO_getTag, &
|
|
IO_spotTagInPart, &
|
|
IO_lc, &
|
|
IO_isBlank, &
|
|
IO_stringValue, &
|
|
IO_stringPos, &
|
|
IO_EOF
|
|
|
|
implicit none
|
|
character(len=*), intent(in) :: myPart
|
|
integer(pInt), intent(in) :: fileUnit
|
|
|
|
integer(pInt), parameter :: MAXNCHUNKS = 2_pInt
|
|
|
|
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
|
|
integer(pInt) :: Nsections, section
|
|
character(len=65536) :: &
|
|
tag,line
|
|
logical :: echo
|
|
|
|
echo = IO_globalTagInPart(fileUnit,myPart,'/echo/')
|
|
|
|
Nsections = IO_countSections(fileUnit,myPart)
|
|
material_Nphase = Nsections
|
|
if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
|
|
|
|
allocate(phase_name(Nsections)); phase_name = ''
|
|
allocate(phase_elasticity(Nsections), source=ELASTICITY_undefined_ID)
|
|
allocate(phase_elasticityInstance(Nsections), source=0_pInt)
|
|
allocate(phase_plasticity(Nsections) , source=PLASTICITY_undefined_ID)
|
|
allocate(phase_plasticityInstance(Nsections), source=0_pInt)
|
|
#ifdef NEWSTATE
|
|
allocate(phase_damage(Nsections) , source=LOCAL_DAMAGE_none_ID)
|
|
#else
|
|
allocate(phase_damage(Nsections) , source=DAMAGE_none_ID)
|
|
#endif
|
|
allocate(phase_damageInstance(Nsections), source=0_pInt)
|
|
#ifdef NEWSTATE
|
|
allocate(phase_thermal(Nsections) , source=LOCAL_THERMAL_none_ID)
|
|
#else
|
|
allocate(phase_thermal(Nsections) , source=THERMAL_none_ID)
|
|
#endif
|
|
allocate(phase_thermalInstance(Nsections), source=0_pInt)
|
|
allocate(phase_Noutput(Nsections), source=0_pInt)
|
|
allocate(phase_localPlasticity(Nsections), source=.false.)
|
|
|
|
phase_Noutput = IO_countTagInPart(fileUnit,myPart,'(output)',Nsections)
|
|
phase_localPlasticity = .not. IO_spotTagInPart(fileUnit,myPart,'/nonlocal/',Nsections)
|
|
|
|
rewind(fileUnit)
|
|
line = '' ! to have it initialized
|
|
section = 0_pInt ! - " -
|
|
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to <Phase>
|
|
line = IO_read(fileUnit)
|
|
enddo
|
|
if (echo) write(6,'(/,1x,a)') trim(line) ! echo part header
|
|
|
|
do while (trim(line) /= IO_EOF) ! read through sections of material 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 (echo) write(6,'(2x,a)') trim(line) ! echo back read lines
|
|
if (IO_getTag(line,'[',']') /= '') then ! next section
|
|
section = section + 1_pInt
|
|
phase_name(section) = IO_getTag(line,'[',']')
|
|
endif
|
|
if (section > 0_pInt) then
|
|
positions = IO_stringPos(line,MAXNCHUNKS)
|
|
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
|
select case(tag)
|
|
case ('elasticity')
|
|
select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
|
|
case (ELASTICITY_HOOKE_label)
|
|
phase_elasticity(section) = ELASTICITY_HOOKE_ID
|
|
case default
|
|
call IO_error(200_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
|
|
end select
|
|
phase_elasticityInstance(section) = count(phase_elasticity(1:section) == phase_elasticity(section)) ! count instances
|
|
case ('plasticity')
|
|
select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
|
|
case (PLASTICITY_NONE_label)
|
|
phase_plasticity(section) = PLASTICITY_NONE_ID
|
|
case (PLASTICITY_J2_label)
|
|
phase_plasticity(section) = PLASTICITY_J2_ID
|
|
case (PLASTICITY_PHENOPOWERLAW_label)
|
|
phase_plasticity(section) = PLASTICITY_PHENOPOWERLAW_ID
|
|
case (PLASTICITY_DISLOTWIN_label)
|
|
phase_plasticity(section) = PLASTICITY_DISLOTWIN_ID
|
|
case (PLASTICITY_DISLOKMC_label)
|
|
phase_plasticity(section) = PLASTICITY_DISLOKMC_ID
|
|
case (PLASTICITY_TITANMOD_label)
|
|
phase_plasticity(section) = PLASTICITY_TITANMOD_ID
|
|
case (PLASTICITY_NONLOCAL_label)
|
|
phase_plasticity(section) = PLASTICITY_NONLOCAL_ID
|
|
case default
|
|
call IO_error(201_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
|
|
end select
|
|
phase_plasticityInstance(section) = count(phase_plasticity(1:section) == phase_plasticity(section)) ! count instances
|
|
case ('damage')
|
|
select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
|
|
#ifdef NEWSTATE
|
|
case (LOCAL_DAMAGE_NONE_label)
|
|
phase_damage(section) = LOCAL_DAMAGE_none_ID
|
|
case (LOCAL_DAMAGE_BRITTLE_label)
|
|
phase_damage(section) = LOCAL_DAMAGE_BRITTLE_ID
|
|
#else
|
|
case (DAMAGE_NONE_label)
|
|
phase_damage(section) = DAMAGE_none_ID
|
|
case (DAMAGE_LOCAL_label)
|
|
phase_damage(section) = DAMAGE_local_ID
|
|
case (DAMAGE_GRADIENT_label)
|
|
phase_damage(section) = DAMAGE_gradient_ID
|
|
#endif
|
|
case default
|
|
call IO_error(200_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
|
|
end select
|
|
phase_damageInstance(section) = count(phase_damage(1:section) == phase_damage(section)) ! count instances
|
|
case ('thermal')
|
|
select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
|
|
#ifdef NEWSTATE
|
|
case (LOCAL_THERMAL_NONE_label)
|
|
phase_thermal(section) = LOCAL_THERMAL_none_ID
|
|
case (LOCAL_THERMAL_HEATGEN_label)
|
|
phase_thermal(section) = LOCAL_THERMAL_HEATGEN_ID
|
|
#else
|
|
case (THERMAL_NONE_label)
|
|
phase_thermal(section) = THERMAL_none_ID
|
|
case (THERMAL_ISO_label)
|
|
phase_thermal(section) = THERMAL_iso_ID
|
|
case (THERMAL_CONDUCTION_label)
|
|
phase_thermal(section) = THERMAL_conduction_ID
|
|
case (THERMAL_ADIABATIC_label)
|
|
phase_thermal(section) = THERMAL_adiabatic_ID
|
|
#endif
|
|
case default
|
|
call IO_error(200_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
|
|
end select
|
|
phase_thermalInstance(section) = count(phase_thermal(1:section) == phase_thermal(section)) ! count instances
|
|
end select
|
|
endif
|
|
enddo
|
|
|
|
end subroutine material_parsePhase
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief parses the texture part in the material configuration file
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine material_parseTexture(fileUnit,myPart)
|
|
use IO, only: &
|
|
IO_read, &
|
|
IO_globalTagInPart, &
|
|
IO_countSections, &
|
|
IO_error, &
|
|
IO_countTagInPart, &
|
|
IO_getTag, &
|
|
IO_spotTagInPart, &
|
|
IO_lc, &
|
|
IO_isBlank, &
|
|
IO_floatValue, &
|
|
IO_stringValue, &
|
|
IO_stringPos, &
|
|
IO_EOF
|
|
use math, only: &
|
|
inRad, &
|
|
math_sampleRandomOri, &
|
|
math_I3, &
|
|
math_inv33
|
|
|
|
implicit none
|
|
character(len=*), intent(in) :: myPart
|
|
integer(pInt), intent(in) :: fileUnit
|
|
|
|
integer(pInt), parameter :: MAXNCHUNKS = 13_pInt
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|
|
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integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
|
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integer(pInt) :: Nsections, section, gauss, fiber, j
|
|
character(len=65536) :: tag
|
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character(len=65536) :: line
|
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logical :: echo
|
|
|
|
echo = IO_globalTagInPart(fileUnit,myPart,'/echo/')
|
|
|
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Nsections = IO_countSections(fileUnit,myPart)
|
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material_Ntexture = Nsections
|
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if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
|
|
|
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allocate(texture_name(Nsections)); texture_name=''
|
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allocate(texture_ODFfile(Nsections)); texture_ODFfile=''
|
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allocate(texture_symmetry(Nsections), source=1_pInt)
|
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allocate(texture_Ngauss(Nsections), source=0_pInt)
|
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allocate(texture_Nfiber(Nsections), source=0_pInt)
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|
|
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texture_Ngauss = IO_countTagInPart(fileUnit,myPart,'(gauss)', Nsections) + &
|
|
IO_countTagInPart(fileUnit,myPart,'(random)',Nsections)
|
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texture_Nfiber = IO_countTagInPart(fileUnit,myPart,'(fiber)', Nsections)
|
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texture_maxNgauss = maxval(texture_Ngauss)
|
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texture_maxNfiber = maxval(texture_Nfiber)
|
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allocate(texture_Gauss (5,texture_maxNgauss,Nsections), source=0.0_pReal)
|
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allocate(texture_Fiber (6,texture_maxNfiber,Nsections), source=0.0_pReal)
|
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allocate(texture_transformation(3,3,Nsections), source=0.0_pReal)
|
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texture_transformation = spread(math_I3,3,Nsections)
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|
|
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rewind(fileUnit)
|
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line = '' ! to have in initialized
|
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section = 0_pInt ! - " -
|
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gauss = 0_pInt ! - " -
|
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fiber = 0_pInt ! - " -
|
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do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to <texture>
|
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line = IO_read(fileUnit)
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enddo
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if (echo) write(6,'(/,1x,a)') trim(line) ! echo part header
|
|
|
|
do while (trim(line) /= IO_EOF)
|
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line = IO_read(fileUnit)
|
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if (IO_isBlank(line)) cycle ! skip empty lines
|
|
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
|
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line = IO_read(fileUnit, .true.) ! reset IO_read
|
|
exit
|
|
endif
|
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if (echo) write(6,'(2x,a)') trim(line) ! echo back read lines
|
|
if (IO_getTag(line,'[',']') /= '') then ! next section
|
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section = section + 1_pInt
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gauss = 0_pInt
|
|
fiber = 0_pInt
|
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texture_name(section) = IO_getTag(line,'[',']')
|
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endif
|
|
if (section > 0_pInt) then
|
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positions = IO_stringPos(line,MAXNCHUNKS)
|
|
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
|
textureType: select case(tag)
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|
|
|
case ('axes', 'rotation') textureType
|
|
do j = 1_pInt, 3_pInt ! look for "x", "y", and "z" entries
|
|
tag = IO_lc(IO_stringValue(line,positions,j+1_pInt))
|
|
select case (tag)
|
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case('x', '+x')
|
|
texture_transformation(j,1:3,section) = [ 1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now +x-axis
|
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case('-x')
|
|
texture_transformation(j,1:3,section) = [-1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now -x-axis
|
|
case('y', '+y')
|
|
texture_transformation(j,1:3,section) = [ 0.0_pReal, 1.0_pReal, 0.0_pReal] ! original axis is now +y-axis
|
|
case('-y')
|
|
texture_transformation(j,1:3,section) = [ 0.0_pReal,-1.0_pReal, 0.0_pReal] ! original axis is now -y-axis
|
|
case('z', '+z')
|
|
texture_transformation(j,1:3,section) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal] ! original axis is now +z-axis
|
|
case('-z')
|
|
texture_transformation(j,1:3,section) = [ 0.0_pReal, 0.0_pReal,-1.0_pReal] ! original axis is now -z-axis
|
|
case default
|
|
call IO_error(157_pInt,section)
|
|
end select
|
|
enddo
|
|
|
|
case ('hybridia') textureType
|
|
texture_ODFfile(section) = IO_stringValue(line,positions,2_pInt)
|
|
|
|
case ('symmetry') textureType
|
|
tag = IO_lc(IO_stringValue(line,positions,2_pInt))
|
|
select case (tag)
|
|
case('orthotropic')
|
|
texture_symmetry(section) = 4_pInt
|
|
case('monoclinic')
|
|
texture_symmetry(section) = 2_pInt
|
|
case default
|
|
texture_symmetry(section) = 1_pInt
|
|
end select
|
|
|
|
case ('(random)') textureType
|
|
gauss = gauss + 1_pInt
|
|
texture_Gauss(1:3,gauss,section) = math_sampleRandomOri()
|
|
do j = 2_pInt,4_pInt,2_pInt
|
|
tag = IO_lc(IO_stringValue(line,positions,j))
|
|
select case (tag)
|
|
case('scatter')
|
|
texture_Gauss(4,gauss,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('fraction')
|
|
texture_Gauss(5,gauss,section) = IO_floatValue(line,positions,j+1_pInt)
|
|
end select
|
|
enddo
|
|
|
|
case ('(gauss)') textureType
|
|
gauss = gauss + 1_pInt
|
|
do j = 2_pInt,10_pInt,2_pInt
|
|
tag = IO_lc(IO_stringValue(line,positions,j))
|
|
select case (tag)
|
|
case('phi1')
|
|
texture_Gauss(1,gauss,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('phi')
|
|
texture_Gauss(2,gauss,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('phi2')
|
|
texture_Gauss(3,gauss,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('scatter')
|
|
texture_Gauss(4,gauss,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('fraction')
|
|
texture_Gauss(5,gauss,section) = IO_floatValue(line,positions,j+1_pInt)
|
|
end select
|
|
enddo
|
|
|
|
case ('(fiber)') textureType
|
|
fiber = fiber + 1_pInt
|
|
do j = 2_pInt,12_pInt,2_pInt
|
|
tag = IO_lc(IO_stringValue(line,positions,j))
|
|
select case (tag)
|
|
case('alpha1')
|
|
texture_Fiber(1,fiber,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('alpha2')
|
|
texture_Fiber(2,fiber,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('beta1')
|
|
texture_Fiber(3,fiber,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('beta2')
|
|
texture_Fiber(4,fiber,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('scatter')
|
|
texture_Fiber(5,fiber,section) = IO_floatValue(line,positions,j+1_pInt)*inRad
|
|
case('fraction')
|
|
texture_Fiber(6,fiber,section) = IO_floatValue(line,positions,j+1_pInt)
|
|
end select
|
|
enddo
|
|
|
|
end select textureType
|
|
endif
|
|
enddo
|
|
|
|
end subroutine material_parseTexture
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @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 and hybridIA
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine material_populateGrains
|
|
use math, only: &
|
|
math_RtoEuler, &
|
|
math_EulerToR, &
|
|
math_mul33x33, &
|
|
math_range, &
|
|
math_sampleRandomOri, &
|
|
math_sampleGaussOri, &
|
|
math_sampleFiberOri, &
|
|
math_symmetricEulers
|
|
use mesh, only: &
|
|
mesh_element, &
|
|
mesh_maxNips, &
|
|
mesh_NcpElems, &
|
|
mesh_ipVolume, &
|
|
FE_Nips, &
|
|
FE_geomtype
|
|
use IO, only: &
|
|
IO_error, &
|
|
IO_hybridIA
|
|
use FEsolving, only: &
|
|
FEsolving_execIP
|
|
use debug, only: &
|
|
debug_level, &
|
|
debug_material, &
|
|
debug_levelBasic
|
|
|
|
implicit none
|
|
integer(pInt), dimension (:,:), allocatable :: Ngrains
|
|
integer(pInt), dimension (microstructure_maxNconstituents) :: &
|
|
NgrainsOfConstituent, &
|
|
currentGrainOfConstituent, &
|
|
randomOrder
|
|
real(pReal), dimension (microstructure_maxNconstituents) :: &
|
|
rndArray
|
|
real(pReal), dimension (:), allocatable :: volumeOfGrain
|
|
real(pReal), dimension (:,:), allocatable :: orientationOfGrain
|
|
real(pReal), dimension (3) :: orientation
|
|
real(pReal), dimension (3,3) :: symOrientation
|
|
integer(pInt), dimension (:), allocatable :: phaseOfGrain, textureOfGrain
|
|
integer(pInt) :: t,e,i,ii,g,j,m,c,r,homog,micro,sgn,hme, myDebug, &
|
|
phaseID,textureID,dGrains,myNgrains,myNorientations,myNconstituents, &
|
|
grain,constituentGrain,ipGrain,symExtension, ip, HomogInstType
|
|
real(pReal) :: extreme,rnd
|
|
integer(pInt), dimension (:,:), allocatable :: Nelems ! counts number of elements in homog, micro array
|
|
type(p_intvec), dimension (:,:), allocatable :: elemsOfHomogMicro ! lists element number in homog, micro array
|
|
|
|
myDebug = debug_level(debug_material)
|
|
|
|
allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
|
|
allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
|
#ifdef NEWSTATE
|
|
allocate(material_homog(mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
|
#endif
|
|
allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
|
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
|
|
|
|
allocate(Ngrains(material_Nhomogenization,material_Nmicrostructure), source=0_pInt)
|
|
allocate(Nelems(material_Nhomogenization,material_Nmicrostructure), source=0_pInt)
|
|
|
|
#ifdef NEWSTATE
|
|
! populating homogenization schemes in each
|
|
!--------------------------------------------------------------------------------------------------
|
|
do e = 1_pInt, mesh_NcpElems
|
|
material_homog(1_pInt:FE_Nips(FE_geomtype(mesh_element(2,e))),e) = mesh_element(3,e)
|
|
enddo
|
|
|
|
#endif
|
|
!--------------------------------------------------------------------------------------------------
|
|
! precounting of elements for each homog/micro pair
|
|
do e = 1_pInt, mesh_NcpElems
|
|
homog = mesh_element(3,e)
|
|
micro = mesh_element(4,e)
|
|
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt
|
|
enddo
|
|
allocate(elemsOfHomogMicro(material_Nhomogenization,material_Nmicrostructure))
|
|
do homog = 1,material_Nhomogenization
|
|
do micro = 1,material_Nmicrostructure
|
|
if (Nelems(homog,micro) > 0_pInt) then
|
|
allocate(elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)))
|
|
elemsOfHomogMicro(homog,micro)%p = 0_pInt
|
|
endif
|
|
enddo
|
|
enddo
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! identify maximum grain count per IP (from element) and find grains per homog/micro pair
|
|
Nelems = 0_pInt ! reuse as counter
|
|
elementLooping: do e = 1_pInt,mesh_NcpElems
|
|
t = FE_geomtype(mesh_element(2,e))
|
|
homog = mesh_element(3,e)
|
|
micro = mesh_element(4,e)
|
|
if (homog < 1_pInt .or. homog > material_Nhomogenization) & ! out of bounds
|
|
call IO_error(154_pInt,e,0_pInt,0_pInt)
|
|
if (micro < 1_pInt .or. micro > material_Nmicrostructure) & ! out of bounds
|
|
call IO_error(155_pInt,e,0_pInt,0_pInt)
|
|
if (microstructure_elemhomo(micro)) then ! how many grains are needed at this element?
|
|
dGrains = homogenization_Ngrains(homog) ! only one set of Ngrains (other IPs are plain copies)
|
|
else
|
|
dGrains = homogenization_Ngrains(homog) * FE_Nips(t) ! each IP has Ngrains
|
|
endif
|
|
Ngrains(homog,micro) = Ngrains(homog,micro) + dGrains ! total grain count
|
|
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt ! total element count
|
|
elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)) = e ! remember elements active in this homog/micro pair
|
|
enddo elementLooping
|
|
|
|
allocate(volumeOfGrain(maxval(Ngrains)), source=0.0_pReal) ! reserve memory for maximum case
|
|
allocate(phaseOfGrain(maxval(Ngrains)), source=0_pInt) ! reserve memory for maximum case
|
|
allocate(textureOfGrain(maxval(Ngrains)), source=0_pInt) ! reserve memory for maximum case
|
|
allocate(orientationOfGrain(3,maxval(Ngrains)),source=0.0_pReal) ! reserve memory for maximum case
|
|
|
|
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,'(/,a/)') ' MATERIAL grain population'
|
|
write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#'
|
|
!$OMP END CRITICAL (write2out)
|
|
endif
|
|
do homog = 1_pInt,material_Nhomogenization ! loop over homogenizations
|
|
dGrains = homogenization_Ngrains(homog) ! grain number per material point
|
|
do micro = 1_pInt,material_Nmicrostructure ! all pairs of homog and micro
|
|
if (Ngrains(homog,micro) > 0_pInt) then ! an active pair of homog and micro
|
|
myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
|
|
myNconstituents = microstructure_Nconstituents(micro) ! assign short name for number of constituents
|
|
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,'(/,a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
|
|
!$OMP END CRITICAL (write2out)
|
|
endif
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! calculate volume of each grain
|
|
|
|
volumeOfGrain = 0.0_pReal
|
|
grain = 0_pInt
|
|
|
|
do hme = 1_pInt, Nelems(homog,micro)
|
|
e = elemsOfHomogMicro(homog,micro)%p(hme) ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
|
|
t = FE_geomtype(mesh_element(2,e))
|
|
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
|
volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:FE_Nips(t),e))/&
|
|
real(dGrains,pReal) ! each grain combines size of all IPs in that element
|
|
grain = grain + dGrains ! wind forward by Ngrains@IP
|
|
else
|
|
forall (i = 1_pInt:FE_Nips(t)) & ! loop over IPs
|
|
volumeOfGrain(grain+(i-1)*dGrains+1_pInt:grain+i*dGrains) = &
|
|
mesh_ipVolume(i,e)/dGrains ! assign IPvolume/Ngrains@IP to all grains of IP
|
|
grain = grain + FE_Nips(t) * dGrains ! wind forward by Nips*Ngrains@IP
|
|
endif
|
|
enddo
|
|
|
|
if (grain /= myNgrains) &
|
|
call IO_error(0,el = homog,ip = micro,ext_msg = 'inconsistent grain count after volume calc')
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! divide myNgrains as best over constituents
|
|
!
|
|
! example: three constituents with fractions of 0.25, 0.25, and 0.5 distributed over 20 (microstructure) grains
|
|
!
|
|
! ***** ***** **********
|
|
! NgrainsOfConstituent: 5, 5, 10
|
|
! counters:
|
|
! |-----> grain (if constituent == 2)
|
|
! |--> constituentGrain (of constituent 2)
|
|
!
|
|
|
|
NgrainsOfConstituent = 0_pInt ! reset counter of grains per constituent
|
|
forall (i = 1_pInt:myNconstituents) &
|
|
NgrainsOfConstituent(i) = nint(microstructure_fraction(i,micro) * myNgrains, pInt) ! do rounding integer conversion
|
|
do while (sum(NgrainsOfConstituent) /= myNgrains) ! total grain count over constituents wrong?
|
|
sgn = sign(1_pInt, myNgrains - sum(NgrainsOfConstituent)) ! direction of required change
|
|
extreme = 0.0_pReal
|
|
t = 0_pInt
|
|
do i = 1_pInt,myNconstituents ! find largest deviator
|
|
if (real(sgn,pReal)*log(NgrainsOfConstituent(i)/myNgrains/microstructure_fraction(i,micro)) > extreme) then
|
|
extreme = real(sgn,pReal)*log(NgrainsOfConstituent(i)/myNgrains/microstructure_fraction(i,micro))
|
|
t = i
|
|
endif
|
|
enddo
|
|
NgrainsOfConstituent(t) = NgrainsOfConstituent(t) + sgn ! change that by one
|
|
enddo
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! assign phase and texture info
|
|
|
|
phaseOfGrain = 0_pInt
|
|
textureOfGrain = 0_pInt
|
|
orientationOfGrain = 0.0_pReal
|
|
|
|
texture: do i = 1_pInt,myNconstituents ! loop over constituents
|
|
grain = sum(NgrainsOfConstituent(1_pInt:i-1_pInt)) ! set microstructure grain index of current constituent
|
|
! "grain" points to start of this constituent's grain population
|
|
constituentGrain = 0_pInt ! constituent grain index
|
|
|
|
phaseID = microstructure_phase(i,micro)
|
|
textureID = microstructure_texture(i,micro)
|
|
phaseOfGrain (grain+1_pInt:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
|
|
textureOfGrain(grain+1_pInt:grain+NgrainsOfConstituent(i)) = textureID ! assign resp. texture
|
|
|
|
myNorientations = ceiling(real(NgrainsOfConstituent(i),pReal)/&
|
|
real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! ...has texture components
|
|
if (texture_ODFfile(textureID) == '') then
|
|
gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
|
|
do g = 1_pInt,int(myNorientations*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
|
|
orientationOfGrain(:,grain+constituentGrain+g) = &
|
|
math_sampleGaussOri(texture_Gauss(1:3,t,textureID),&
|
|
texture_Gauss( 4,t,textureID))
|
|
enddo
|
|
constituentGrain = &
|
|
constituentGrain + int(myNorientations*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent
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enddo gauss
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|
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fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components
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do g = 1_pInt,int(myNorientations*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count
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orientationOfGrain(:,grain+constituentGrain+g) = &
|
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math_sampleFiberOri(texture_Fiber(1:2,t,textureID),&
|
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texture_Fiber(3:4,t,textureID),&
|
|
texture_Fiber( 5,t,textureID))
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|
enddo
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constituentGrain = &
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constituentGrain + int(myNorientations*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent
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|
enddo fiber
|
|
|
|
random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random
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|
orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri()
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|
enddo random
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|
!--------------------------------------------------------------------------------------------------
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|
! ...has hybrid IA
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|
else
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|
orientationOfGrain(1:3,grain+1_pInt:grain+myNorientations) = &
|
|
IO_hybridIA(myNorientations,texture_ODFfile(textureID))
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if (all(orientationOfGrain(1:3,grain+1_pInt) == -1.0_pReal)) call IO_error(156_pInt)
|
|
endif
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! ...texture transformation
|
|
|
|
do j = 1_pInt,myNorientations ! loop over each "real" orientation
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|
orientationOfGrain(1:3,grain+j) = math_RtoEuler( & ! translate back to Euler angles
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|
math_mul33x33( & ! pre-multiply
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|
math_EulertoR(orientationOfGrain(1:3,grain+j)), & ! face-value orientation
|
|
texture_transformation(1:3,1:3,textureID) & ! and transformation matrix
|
|
) &
|
|
)
|
|
enddo
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! ...sample symmetry
|
|
|
|
symExtension = texture_symmetry(textureID) - 1_pInt
|
|
if (symExtension > 0_pInt) then ! sample symmetry (number of additional equivalent orientations)
|
|
constituentGrain = myNorientations ! start right after "real" orientations
|
|
do j = 1_pInt,myNorientations ! loop over each "real" orientation
|
|
symOrientation = math_symmetricEulers(texture_symmetry(textureID), &
|
|
orientationOfGrain(1:3,grain+j)) ! get symmetric equivalents
|
|
e = min(symExtension,NgrainsOfConstituent(i)-constituentGrain) ! do not overshoot end of constituent grain array
|
|
if (e > 0_pInt) then
|
|
orientationOfGrain(1:3,grain+constituentGrain+1: &
|
|
grain+constituentGrain+e) = &
|
|
symOrientation(1:3,1:e)
|
|
constituentGrain = constituentGrain + e ! remainder shrinks by e
|
|
endif
|
|
enddo
|
|
endif
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! shuffle grains within current constituent
|
|
|
|
do j = 1_pInt,NgrainsOfConstituent(i)-1_pInt ! walk thru grains of current constituent
|
|
call random_number(rnd)
|
|
t = nint(rnd*(NgrainsOfConstituent(i)-j)+j+0.5_pReal,pInt) ! select a grain in remaining list
|
|
m = phaseOfGrain(grain+t) ! exchange current with random
|
|
phaseOfGrain(grain+t) = phaseOfGrain(grain+j)
|
|
phaseOfGrain(grain+j) = m
|
|
m = textureOfGrain(grain+t) ! exchange current with random
|
|
textureOfGrain(grain+t) = textureOfGrain(grain+j)
|
|
textureOfGrain(grain+j) = m
|
|
orientation = orientationOfGrain(1:3,grain+t) ! exchange current with random
|
|
orientationOfGrain(1:3,grain+t) = orientationOfGrain(1:3,grain+j)
|
|
orientationOfGrain(1:3,grain+j) = orientation
|
|
enddo
|
|
|
|
enddo texture
|
|
!< @todo calc fraction after weighing with volumePerGrain, exchange in MC steps to improve result (humbug at the moment)
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! distribute grains of all constituents as accurately as possible to given constituent fractions
|
|
|
|
ip = 0_pInt
|
|
currentGrainOfConstituent = 0_pInt
|
|
|
|
do hme = 1_pInt, Nelems(homog,micro)
|
|
e = elemsOfHomogMicro(homog,micro)%p(hme) ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
|
|
t = FE_geomtype(mesh_element(2,e))
|
|
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
|
m = 1_pInt ! process only first IP
|
|
else
|
|
m = FE_Nips(t) ! process all IPs
|
|
endif
|
|
|
|
do i = 1_pInt, m ! loop over necessary IPs
|
|
ip = ip + 1_pInt ! keep track of total ip count
|
|
ipGrain = 0_pInt ! count number of grains assigned at this IP
|
|
randomOrder = math_range(microstructure_maxNconstituents) ! start out with ordered sequence of constituents
|
|
call random_number(rndArray) ! as many rnd numbers as (max) constituents
|
|
do j = 1_pInt, myNconstituents - 1_pInt ! loop over constituents ...
|
|
r = nint(rndArray(j)*(myNconstituents-j)+j+0.5_pReal,pInt) ! ... select one in remaining list
|
|
c = randomOrder(r) ! ... call it "c"
|
|
randomOrder(r) = randomOrder(j) ! ... and exchange with present position in constituent list
|
|
grain = sum(NgrainsOfConstituent(1:c-1_pInt)) ! figure out actual starting index in overall/consecutive grain population
|
|
do g = 1_pInt, min(dGrains-ipGrain, & ! leftover number of grains at this IP
|
|
max(0_pInt, & ! no negative values
|
|
nint(real(ip * dGrains * NgrainsOfConstituent(c)) / & ! fraction of grains scaled to this constituent...
|
|
real(myNgrains),pInt) - & ! ...minus those already distributed
|
|
currentGrainOfConstituent(c)))
|
|
ipGrain = ipGrain + 1_pInt ! advance IP grain counter
|
|
currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt ! advance index of grain population for constituent c
|
|
material_volume(ipGrain,i,e) = volumeOfGrain(grain+currentGrainOfConstituent(c)) ! assign properties
|
|
material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
|
|
material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
|
|
material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
|
|
enddo; enddo
|
|
|
|
c = randomOrder(microstructure_Nconstituents(micro)) ! look up constituent remaining after random shuffling
|
|
grain = sum(NgrainsOfConstituent(1:c-1_pInt)) ! figure out actual starting index in overall/consecutive grain population
|
|
do ipGrain = ipGrain + 1_pInt, dGrains ! ensure last constituent fills up to dGrains
|
|
currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt
|
|
material_volume(ipGrain,i,e) = volumeOfGrain(grain+currentGrainOfConstituent(c))
|
|
material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
|
|
material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
|
|
material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
|
|
enddo
|
|
|
|
enddo
|
|
|
|
do i = i, FE_Nips(t) ! loop over IPs to (possibly) distribute copies from first IP
|
|
material_volume (1_pInt:dGrains,i,e) = material_volume (1_pInt:dGrains,1,e)
|
|
material_phase (1_pInt:dGrains,i,e) = material_phase (1_pInt:dGrains,1,e)
|
|
material_texture(1_pInt:dGrains,i,e) = material_texture(1_pInt:dGrains,1,e)
|
|
material_EulerAngles(1:3,1_pInt:dGrains,i,e) = material_EulerAngles(1:3,1_pInt:dGrains,1,e)
|
|
enddo
|
|
|
|
enddo
|
|
endif ! active homog,micro pair
|
|
enddo
|
|
enddo
|
|
|
|
deallocate(volumeOfGrain)
|
|
deallocate(phaseOfGrain)
|
|
deallocate(textureOfGrain)
|
|
deallocate(orientationOfGrain)
|
|
deallocate(Nelems)
|
|
!> @todo - causing segmentation fault: needs looking into
|
|
!do homog = 1,material_Nhomogenization
|
|
! do micro = 1,material_Nmicrostructure
|
|
! if (Nelems(homog,micro) > 0_pInt) deallocate(elemsOfHomogMicro(homog,micro)%p)
|
|
! enddo
|
|
!enddo
|
|
deallocate(elemsOfHomogMicro)
|
|
|
|
end subroutine material_populateGrains
|
|
|
|
#ifdef HDF
|
|
integer(pInt) pure function material_NconstituentsPhase(matID)
|
|
|
|
implicit none
|
|
integer(pInt), intent(in) :: matID
|
|
|
|
material_NconstituentsPhase = count(microstructure_phase == matID)
|
|
end function
|
|
#endif
|
|
|
|
end module material
|