407 lines
18 KiB
Fortran
407 lines
18 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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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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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Defines phase and homogenization
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!--------------------------------------------------------------------------------------------------
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module material
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use prec
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use math
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use config
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use results
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use IO
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use rotations
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use discretization
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implicit none
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private
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enum, bind(c); enumerator :: &
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ELASTICITY_UNDEFINED_ID, &
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ELASTICITY_HOOKE_ID, &
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PLASTICITY_UNDEFINED_ID, &
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PLASTICITY_NONE_ID, &
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PLASTICITY_ISOTROPIC_ID, &
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PLASTICITY_PHENOPOWERLAW_ID, &
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PLASTICITY_KINEHARDENING_ID, &
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PLASTICITY_DISLOTWIN_ID, &
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PLASTICITY_DISLOTUNGSTEN_ID, &
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PLASTICITY_NONLOCAL_ID, &
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SOURCE_UNDEFINED_ID ,&
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SOURCE_THERMAL_DISSIPATION_ID, &
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SOURCE_THERMAL_EXTERNALHEAT_ID, &
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SOURCE_DAMAGE_ISOBRITTLE_ID, &
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SOURCE_DAMAGE_ISODUCTILE_ID, &
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SOURCE_DAMAGE_ANISOBRITTLE_ID, &
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SOURCE_DAMAGE_ANISODUCTILE_ID, &
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KINEMATICS_UNDEFINED_ID ,&
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KINEMATICS_CLEAVAGE_OPENING_ID, &
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KINEMATICS_SLIPPLANE_OPENING_ID, &
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KINEMATICS_THERMAL_EXPANSION_ID, &
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STIFFNESS_DEGRADATION_UNDEFINED_ID, &
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STIFFNESS_DEGRADATION_DAMAGE_ID, &
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THERMAL_ISOTHERMAL_ID, &
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THERMAL_ADIABATIC_ID, &
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THERMAL_CONDUCTION_ID, &
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DAMAGE_NONE_ID, &
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DAMAGE_LOCAL_ID, &
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DAMAGE_NONLOCAL_ID, &
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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=pStringLen), public, protected, allocatable, dimension(:) :: &
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material_name_phase, & !< name of each phase
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material_name_homogenization !< name of each homogenization
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integer(kind(THERMAL_isothermal_ID)), dimension(:), allocatable, public, protected :: &
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thermal_type !< thermal transport model
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integer(kind(DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: &
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damage_type !< nonlocal damage model
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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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integer, public, protected :: &
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homogenization_maxNconstituents !< max number of grains in any USED homogenization
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integer, dimension(:), allocatable, public, protected :: &
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homogenization_Nconstituents, & !< number of grains in each homogenization
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homogenization_typeInstance, & !< instance of particular type of each homogenization
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thermal_typeInstance, & !< instance of particular type of each thermal transport
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damage_typeInstance !< instance of particular type of each nonlocal damage
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real(pReal), dimension(:), allocatable, public, protected :: &
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thermal_initialT, & !< initial temperature per each homogenization
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damage_initialPhi !< initial damage per each homogenization
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integer, dimension(:), allocatable, public, protected :: & ! (elem)
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material_homogenizationAt !< homogenization ID of each element
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integer, dimension(:,:), allocatable, public, target :: & ! (ip,elem) ToDo: ugly target for mapping hack
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material_homogenizationMemberAt !< position of the element within its homogenization instance
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integer, dimension(:,:), allocatable, public, protected :: & ! (constituent,elem)
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material_phaseAt !< phase ID of each element
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integer, dimension(:,:,:), allocatable, public, protected :: & ! (constituent,IP,elem)
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material_phaseMemberAt !< position of the element within its phase instance
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type(tState), allocatable, dimension(:), public :: &
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homogState, &
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thermalState, &
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damageState
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type(Rotation), dimension(:,:,:), allocatable, public, protected :: &
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material_orientation0 !< initial orientation of each grain,IP,element
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! BEGIN DEPRECATED
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integer, dimension(:,:), allocatable, private, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field
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! END DEPRECATED
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type(tHomogMapping), allocatable, dimension(:), public :: &
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thermalMapping, & !< mapping for thermal state/fields
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damageMapping !< mapping for damage state/fields
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type(group_float), allocatable, dimension(:), public :: &
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temperature, & !< temperature field
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damage, & !< damage field
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temperatureRate !< temperature change rate field
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public :: &
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material_init, &
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ELASTICITY_UNDEFINED_ID, &
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ELASTICITY_HOOKE_ID, &
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PLASTICITY_UNDEFINED_ID, &
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PLASTICITY_NONE_ID, &
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PLASTICITY_ISOTROPIC_ID, &
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PLASTICITY_PHENOPOWERLAW_ID, &
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PLASTICITY_KINEHARDENING_ID, &
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PLASTICITY_DISLOTWIN_ID, &
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PLASTICITY_DISLOTUNGSTEN_ID, &
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PLASTICITY_NONLOCAL_ID, &
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SOURCE_UNDEFINED_ID ,&
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SOURCE_THERMAL_DISSIPATION_ID, &
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SOURCE_THERMAL_EXTERNALHEAT_ID, &
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SOURCE_DAMAGE_ISOBRITTLE_ID, &
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SOURCE_DAMAGE_ISODUCTILE_ID, &
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SOURCE_DAMAGE_ANISOBRITTLE_ID, &
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SOURCE_DAMAGE_ANISODUCTILE_ID, &
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KINEMATICS_UNDEFINED_ID ,&
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KINEMATICS_CLEAVAGE_OPENING_ID, &
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KINEMATICS_SLIPPLANE_OPENING_ID, &
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KINEMATICS_THERMAL_EXPANSION_ID, &
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STIFFNESS_DEGRADATION_UNDEFINED_ID, &
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STIFFNESS_DEGRADATION_DAMAGE_ID, &
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THERMAL_ISOTHERMAL_ID, &
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THERMAL_ADIABATIC_ID, &
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THERMAL_CONDUCTION_ID, &
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DAMAGE_NONE_ID, &
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DAMAGE_LOCAL_ID, &
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DAMAGE_NONLOCAL_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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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief parses material configuration file
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!--------------------------------------------------------------------------------------------------
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subroutine material_init(restart)
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logical, intent(in) :: restart
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integer :: myHomog
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print'(/,a)', ' <<<+- material init -+>>>'; flush(IO_STDOUT)
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call material_parseMaterial
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print*, 'Material parsed'
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call material_parseHomogenization
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print*, 'Homogenization parsed'
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allocate(homogState (size(material_name_homogenization)))
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allocate(thermalState (size(material_name_homogenization)))
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allocate(damageState (size(material_name_homogenization)))
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allocate(thermalMapping (size(material_name_homogenization)))
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allocate(damageMapping (size(material_name_homogenization)))
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allocate(temperature (size(material_name_homogenization)))
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allocate(damage (size(material_name_homogenization)))
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allocate(temperatureRate (size(material_name_homogenization)))
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if (.not. restart) then
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call results_openJobFile
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call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,material_name_phase)
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call results_mapping_homogenization(material_homogenizationAt,material_homogenizationMemberAt,material_name_homogenization)
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call results_closeJobFile
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endif
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! BEGIN DEPRECATED
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allocate(mappingHomogenizationConst( discretization_nIPs,discretization_Nelems),source=1)
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! hack needed to initialize field values used during constitutive initialization
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do myHomog = 1, size(material_name_homogenization)
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thermalMapping (myHomog)%p => mappingHomogenizationConst
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damageMapping (myHomog)%p => mappingHomogenizationConst
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allocate(temperature (myHomog)%p(1), source=thermal_initialT(myHomog))
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allocate(damage (myHomog)%p(1), source=damage_initialPhi(myHomog))
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allocate(temperatureRate (myHomog)%p(1), source=0.0_pReal)
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enddo
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! END DEPRECATED
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end subroutine material_init
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!--------------------------------------------------------------------------------------------------
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!> @brief parses the homogenization part from the material configuration
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! ToDo: This should be done in homogenization
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseHomogenization
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class(tNode), pointer :: &
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material_homogenization, &
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homog, &
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homogMech, &
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homogThermal, &
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homogDamage
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integer :: h
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material_homogenization => config_material%get('homogenization')
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allocate(homogenization_type(size(material_name_homogenization)), source=HOMOGENIZATION_undefined_ID)
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allocate(thermal_type(size(material_name_homogenization)), source=THERMAL_isothermal_ID)
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allocate(damage_type (size(material_name_homogenization)), source=DAMAGE_none_ID)
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allocate(homogenization_typeInstance(size(material_name_homogenization)), source=0)
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allocate(thermal_typeInstance(size(material_name_homogenization)), source=0)
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allocate(damage_typeInstance(size(material_name_homogenization)), source=0)
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allocate(thermal_initialT(size(material_name_homogenization)), source=300.0_pReal)
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allocate(damage_initialPhi(size(material_name_homogenization)), source=1.0_pReal)
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do h=1, size(material_name_homogenization)
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homog => material_homogenization%get(h)
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homogMech => homog%get('mechanics')
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select case (homogMech%get_asString('type'))
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case('none')
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homogenization_type(h) = HOMOGENIZATION_NONE_ID
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case('isostrain')
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homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
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case('RGC')
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homogenization_type(h) = HOMOGENIZATION_RGC_ID
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case default
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call IO_error(500,ext_msg=homogMech%get_asString('type'))
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end select
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homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h))
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if(homog%contains('thermal')) then
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homogThermal => homog%get('thermal')
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thermal_initialT(h) = homogThermal%get_asFloat('T_0',defaultVal=300.0_pReal)
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select case (homogThermal%get_asString('type'))
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case('isothermal')
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thermal_type(h) = THERMAL_isothermal_ID
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case('adiabatic')
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thermal_type(h) = THERMAL_adiabatic_ID
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case('conduction')
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thermal_type(h) = THERMAL_conduction_ID
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case default
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call IO_error(500,ext_msg=homogThermal%get_asString('type'))
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end select
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endif
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if(homog%contains('damage')) then
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homogDamage => homog%get('damage')
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damage_initialPhi(h) = homogDamage%get_asFloat('phi_0',defaultVal=1.0_pReal)
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select case (homogDamage%get_asString('type'))
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case('none')
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damage_type(h) = DAMAGE_none_ID
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case('local')
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damage_type(h) = DAMAGE_local_ID
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case('nonlocal')
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damage_type(h) = DAMAGE_nonlocal_ID
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case default
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call IO_error(500,ext_msg=homogDamage%get_asString('type'))
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end select
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endif
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enddo
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do h=1, size(material_name_homogenization)
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homogenization_typeInstance(h) = count(homogenization_type(1:h) == homogenization_type(h))
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thermal_typeInstance(h) = count(thermal_type (1:h) == thermal_type (h))
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damage_typeInstance(h) = count(damage_type (1:h) == damage_type (h))
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enddo
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end subroutine material_parseHomogenization
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!--------------------------------------------------------------------------------------------------
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!> @brief parses the material part in the material configuration file
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseMaterial
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class(tNode), pointer :: materials, & !> list of materials
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material, & !> material definition
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constituents, & !> list of constituents
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constituent, & !> constituent definition
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phases, &
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homogenizations, &
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homogenization
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integer, dimension(:), allocatable :: &
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counterPhase, &
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counterHomogenization
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real(pReal) :: &
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frac
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integer :: &
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e, i, c, &
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h
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materials => config_material%get('material')
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phases => config_material%get('phase')
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homogenizations => config_material%get('homogenization')
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call sanityCheck(materials, homogenizations)
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material_name_phase = getKeys(phases)
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material_name_homogenization = getKeys(homogenizations)
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allocate(homogenization_Nconstituents(homogenizations%length))
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do h=1, homogenizations%length
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homogenization => homogenizations%get(h)
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homogenization_Nconstituents(h) = homogenization%get_asInt('N_constituents')
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enddo
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homogenization_maxNconstituents = maxval(homogenization_Nconstituents)
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allocate(counterPhase(phases%length),source=0)
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allocate(counterHomogenization(homogenizations%length),source=0)
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allocate(material_homogenizationAt(discretization_Nelems),source=0)
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allocate(material_homogenizationMemberAt(discretization_nIPs,discretization_Nelems),source=0)
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allocate(material_phaseAt(homogenization_maxNconstituents,discretization_Nelems),source=0)
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allocate(material_phaseMemberAt(homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems),source=0)
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allocate(material_orientation0(homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems))
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do e = 1, discretization_Nelems
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material => materials%get(discretization_materialAt(e))
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constituents => material%get('constituents')
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material_homogenizationAt(e) = homogenizations%getIndex(material%get_asString('homogenization'))
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do i = 1, discretization_nIPs
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counterHomogenization(material_homogenizationAt(e)) = counterHomogenization(material_homogenizationAt(e)) + 1
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material_homogenizationMemberAt(i,e) = counterHomogenization(material_homogenizationAt(e))
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enddo
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frac = 0.0_pReal
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do c = 1, constituents%length
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constituent => constituents%get(c)
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frac = frac + constituent%get_asFloat('fraction')
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material_phaseAt(c,e) = phases%getIndex(constituent%get_asString('phase'))
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do i = 1, discretization_nIPs
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counterPhase(material_phaseAt(c,e)) = counterPhase(material_phaseAt(c,e)) + 1
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material_phaseMemberAt(c,i,e) = counterPhase(material_phaseAt(c,e))
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call material_orientation0(c,i,e)%fromQuaternion(constituent%get_asFloats('O',requiredSize=4)) ! should be done in crystallite
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enddo
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enddo
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if (dNeq(frac,1.0_pReal)) call IO_error(153,ext_msg='constituent')
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enddo
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end subroutine material_parseMaterial
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!--------------------------------------------------------------------------------------------------
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!> @brief Check if material.yaml is consistent and contains sufficient # of materials
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!--------------------------------------------------------------------------------------------------
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subroutine sanityCheck(materials,homogenizations)
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class(tNode), intent(in) :: materials, &
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homogenizations
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class(tNode), pointer :: material, &
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homogenization, &
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constituents
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integer :: m
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if(maxval(discretization_materialAt) > materials%length) &
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call IO_error(155,ext_msg='More materials requested than found in material.yaml')
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do m = 1, materials%length
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material => materials%get(m)
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constituents => material%get('constituents')
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homogenization => homogenizations%get(material%get_asString('homogenization'))
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if(constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148)
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enddo
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end subroutine sanityCheck
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!--------------------------------------------------------------------------------------------------
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!> @brief Get all keys from a dictionary (currently with #_ prefix)
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!--------------------------------------------------------------------------------------------------
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function getKeys(dict)
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class(tNode), intent(in) :: dict
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character(len=pStringLen), dimension(:), allocatable :: getKeys
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integer :: i
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allocate(getKeys(dict%length))
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do i=1, dict%length
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getKeys(i) = dict%getKey(i)
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enddo
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end function getKeys
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end module material
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