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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 Parses material config file, either solverJobName.materialConfig or material.config
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!--------------------------------------------------------------------------------------------------
module material
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use prec
use math
use config
use results
use IO
use debug
use mesh
use numerics
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use rotations
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use discretization
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implicit none
private
character ( len = * ) , parameter , public :: &
ELASTICITY_hooke_label = 'hooke' , &
PLASTICITY_none_label = 'none' , &
PLASTICITY_isotropic_label = 'isotropic' , &
PLASTICITY_phenopowerlaw_label = 'phenopowerlaw' , &
PLASTICITY_kinehardening_label = 'kinehardening' , &
PLASTICITY_dislotwin_label = 'dislotwin' , &
PLASTICITY_disloucla_label = 'disloucla' , &
PLASTICITY_nonlocal_label = 'nonlocal' , &
SOURCE_thermal_dissipation_label = 'thermal_dissipation' , &
SOURCE_thermal_externalheat_label = 'thermal_externalheat' , &
SOURCE_damage_isoBrittle_label = 'damage_isobrittle' , &
SOURCE_damage_isoDuctile_label = 'damage_isoductile' , &
SOURCE_damage_anisoBrittle_label = 'damage_anisobrittle' , &
SOURCE_damage_anisoDuctile_label = 'damage_anisoductile' , &
KINEMATICS_thermal_expansion_label = 'thermal_expansion' , &
KINEMATICS_cleavage_opening_label = 'cleavage_opening' , &
KINEMATICS_slipplane_opening_label = 'slipplane_opening' , &
STIFFNESS_DEGRADATION_damage_label = 'damage' , &
THERMAL_isothermal_label = 'isothermal' , &
THERMAL_adiabatic_label = 'adiabatic' , &
THERMAL_conduction_label = 'conduction' , &
DAMAGE_none_label = 'none' , &
DAMAGE_local_label = 'local' , &
DAMAGE_nonlocal_label = 'nonlocal' , &
HOMOGENIZATION_none_label = 'none' , &
HOMOGENIZATION_isostrain_label = 'isostrain' , &
HOMOGENIZATION_rgc_label = 'rgc'
enum , bind ( c )
enumerator :: ELASTICITY_undefined_ID , &
ELASTICITY_hooke_ID , &
PLASTICITY_undefined_ID , &
PLASTICITY_none_ID , &
PLASTICITY_isotropic_ID , &
PLASTICITY_phenopowerlaw_ID , &
PLASTICITY_kinehardening_ID , &
PLASTICITY_dislotwin_ID , &
PLASTICITY_disloucla_ID , &
PLASTICITY_nonlocal_ID , &
SOURCE_undefined_ID , &
SOURCE_thermal_dissipation_ID , &
SOURCE_thermal_externalheat_ID , &
SOURCE_damage_isoBrittle_ID , &
SOURCE_damage_isoDuctile_ID , &
SOURCE_damage_anisoBrittle_ID , &
SOURCE_damage_anisoDuctile_ID , &
KINEMATICS_undefined_ID , &
KINEMATICS_cleavage_opening_ID , &
KINEMATICS_slipplane_opening_ID , &
KINEMATICS_thermal_expansion_ID , &
STIFFNESS_DEGRADATION_undefined_ID , &
STIFFNESS_DEGRADATION_damage_ID , &
THERMAL_isothermal_ID , &
THERMAL_adiabatic_ID , &
THERMAL_conduction_ID , &
DAMAGE_none_ID , &
DAMAGE_local_ID , &
DAMAGE_nonlocal_ID , &
HOMOGENIZATION_undefined_ID , &
HOMOGENIZATION_none_ID , &
HOMOGENIZATION_isostrain_ID , &
HOMOGENIZATION_rgc_ID
end enum
integer ( kind ( ELASTICITY_undefined_ID ) ) , dimension ( : ) , allocatable , public , protected :: &
phase_elasticity !< elasticity of each phase
integer ( kind ( PLASTICITY_undefined_ID ) ) , dimension ( : ) , allocatable , public , protected :: &
phase_plasticity !< plasticity of each phase
integer ( kind ( THERMAL_isothermal_ID ) ) , dimension ( : ) , allocatable , public , protected :: &
thermal_type !< thermal transport model
integer ( kind ( DAMAGE_none_ID ) ) , dimension ( : ) , allocatable , public , protected :: &
damage_type !< nonlocal damage model
integer , public , protected :: &
material_Nphase , & !< number of phases
material_Nhomogenization !< number of homogenizations
integer ( kind ( SOURCE_undefined_ID ) ) , dimension ( : , : ) , allocatable , public , protected :: &
phase_source , & !< active sources mechanisms of each phase
phase_kinematics , & !< active kinematic mechanisms of each phase
phase_stiffnessDegradation !< active stiffness degradation mechanisms of each phase
integer ( kind ( HOMOGENIZATION_undefined_ID ) ) , dimension ( : ) , allocatable , public , protected :: &
homogenization_type !< type of each homogenization
integer , public , protected :: &
homogenization_maxNgrains !< max number of grains in any USED homogenization
integer , dimension ( : ) , allocatable , public , protected :: &
phase_Nsources , & !< number of source mechanisms active in each phase
phase_Nkinematics , & !< number of kinematic mechanisms active in each phase
phase_NstiffnessDegradations , & !< number of stiffness degradation mechanisms active in each phase
phase_Noutput , & !< number of '(output)' items per phase
phase_elasticityInstance , & !< instance of particular elasticity of each phase
phase_plasticityInstance , & !< instance of particular plasticity of each phase
crystallite_Noutput , & !< number of '(output)' items per crystallite setting
homogenization_Ngrains , & !< number of grains in each homogenization
homogenization_Noutput , & !< number of '(output)' items per homogenization
homogenization_typeInstance , & !< instance of particular type of each homogenization
thermal_typeInstance , & !< instance of particular type of each thermal transport
damage_typeInstance , & !< instance of particular type of each nonlocal damage
microstructure_crystallite !< crystallite setting ID of each microstructure ! DEPRECATED !!!!
real ( pReal ) , dimension ( : ) , allocatable , public , protected :: &
thermal_initialT , & !< initial temperature per each homogenization
damage_initialPhi !< initial damage per each homogenization
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! NEW MAPPINGS
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integer , dimension ( : ) , allocatable , public , protected :: & ! (elem)
material_homogenizationAt !< homogenization ID of each element (copy of discretization_homogenizationAt)
integer , dimension ( : , : ) , allocatable , public , protected :: & ! (ip,elem)
material_homogenizationMemberAt !< position of the element within its homogenization instance
integer , dimension ( : , : ) , allocatable , public , protected :: & ! (constituent,elem)
material_phaseAt !< phase ID of each element
integer , dimension ( : , : , : ) , allocatable , public , protected :: & ! (constituent,ip,elem)
material_phaseMemberAt !< position of the element within its phase instance
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! END NEW MAPPINGS
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type ( tPlasticState ) , allocatable , dimension ( : ) , public :: &
plasticState
type ( tSourceState ) , allocatable , dimension ( : ) , public :: &
sourceState
type ( tState ) , allocatable , dimension ( : ) , public :: &
homogState , &
thermalState , &
damageState
integer , dimension ( : , : , : ) , allocatable , public , protected :: &
material_texture !< texture (index) of each grain,IP,element. Only used by plastic_nonlocal
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type ( Rotation ) , dimension ( : , : , : ) , allocatable , public , protected :: &
material_orientation0 !< initial orientation of each grain,IP,element
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logical , dimension ( : ) , allocatable , public , protected :: &
microstructure_active , &
phase_localPlasticity !< flags phases with local constitutive law
integer , private :: &
microstructure_maxNconstituents !< max number of constituents in any phase
integer , dimension ( : ) , allocatable , private :: &
microstructure_Nconstituents !< number of constituents in each microstructure
integer , dimension ( : , : ) , allocatable , private :: &
microstructure_phase , & !< phase IDs of each microstructure
microstructure_texture !< texture IDs of each microstructure
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type ( Rotation ) , dimension ( : ) , allocatable , private :: &
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texture_orientation !< Euler angles in material.config (possibly rotated for alignment)
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real ( pReal ) , dimension ( : , : ) , allocatable , private :: &
microstructure_fraction !< vol fraction of each constituent in microstructure
logical , dimension ( : ) , allocatable , private :: &
homogenization_active
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! BEGIN DEPRECATED
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integer , dimension ( : , : , : ) , allocatable , public , target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field
integer , dimension ( : , : ) , allocatable , private , target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field
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! END DEPRECATED
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type ( tHomogMapping ) , allocatable , dimension ( : ) , public :: &
thermalMapping , & !< mapping for thermal state/fields
damageMapping !< mapping for damage state/fields
type ( group_float ) , allocatable , dimension ( : ) , public :: &
temperature , & !< temperature field
damage , & !< damage field
temperatureRate !< temperature change rate field
public :: &
material_init , &
material_allocatePlasticState , &
material_allocateSourceState , &
ELASTICITY_hooke_ID , &
PLASTICITY_none_ID , &
PLASTICITY_isotropic_ID , &
PLASTICITY_phenopowerlaw_ID , &
PLASTICITY_kinehardening_ID , &
PLASTICITY_dislotwin_ID , &
PLASTICITY_disloucla_ID , &
PLASTICITY_nonlocal_ID , &
SOURCE_thermal_dissipation_ID , &
SOURCE_thermal_externalheat_ID , &
SOURCE_damage_isoBrittle_ID , &
SOURCE_damage_isoDuctile_ID , &
SOURCE_damage_anisoBrittle_ID , &
SOURCE_damage_anisoDuctile_ID , &
KINEMATICS_cleavage_opening_ID , &
KINEMATICS_slipplane_opening_ID , &
KINEMATICS_thermal_expansion_ID , &
STIFFNESS_DEGRADATION_damage_ID , &
THERMAL_isothermal_ID , &
THERMAL_adiabatic_ID , &
THERMAL_conduction_ID , &
DAMAGE_none_ID , &
DAMAGE_local_ID , &
DAMAGE_nonlocal_ID , &
HOMOGENIZATION_none_ID , &
HOMOGENIZATION_isostrain_ID , &
HOMOGENIZATION_RGC_ID
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contains
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!--------------------------------------------------------------------------------------------------
!> @brief parses material configuration file
!--------------------------------------------------------------------------------------------------
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subroutine material_init
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integer :: i , e , m , c , h , myDebug , myPhase , myHomog , myMicro
integer , dimension ( : ) , allocatable :: &
CounterPhase , &
CounterHomogenization
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myDebug = debug_level ( debug_material )
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write ( 6 , '(/,a)' ) ' <<<+- material init -+>>>'
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call material_parsePhase ( )
if ( iand ( myDebug , debug_levelBasic ) / = 0 ) write ( 6 , '(a)' ) ' Phase parsed' ; flush ( 6 )
call material_parseMicrostructure ( )
if ( iand ( myDebug , debug_levelBasic ) / = 0 ) write ( 6 , '(a)' ) ' Microstructure parsed' ; flush ( 6 )
call material_parseCrystallite ( )
if ( iand ( myDebug , debug_levelBasic ) / = 0 ) write ( 6 , '(a)' ) ' Crystallite parsed' ; flush ( 6 )
call material_parseHomogenization ( )
if ( iand ( myDebug , debug_levelBasic ) / = 0 ) write ( 6 , '(a)' ) ' Homogenization parsed' ; flush ( 6 )
call material_parseTexture ( )
if ( iand ( myDebug , debug_levelBasic ) / = 0 ) write ( 6 , '(a)' ) ' Texture parsed' ; flush ( 6 )
material_Nphase = size ( config_phase )
material_Nhomogenization = size ( config_homogenization )
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allocate ( plasticState ( material_Nphase ) )
allocate ( sourceState ( material_Nphase ) )
do myPhase = 1 , material_Nphase
allocate ( sourceState ( myPhase ) % p ( phase_Nsources ( myPhase ) ) )
enddo
allocate ( homogState ( material_Nhomogenization ) )
allocate ( thermalState ( material_Nhomogenization ) )
allocate ( damageState ( material_Nhomogenization ) )
allocate ( thermalMapping ( material_Nhomogenization ) )
allocate ( damageMapping ( material_Nhomogenization ) )
allocate ( temperature ( material_Nhomogenization ) )
allocate ( damage ( material_Nhomogenization ) )
allocate ( temperatureRate ( material_Nhomogenization ) )
do m = 1 , size ( config_microstructure )
if ( microstructure_crystallite ( m ) < 1 . or . &
microstructure_crystallite ( m ) > size ( config_crystallite ) ) &
call IO_error ( 150 , m , ext_msg = 'crystallite' )
if ( minval ( microstructure_phase ( 1 : microstructure_Nconstituents ( m ) , m ) ) < 1 . or . &
maxval ( microstructure_phase ( 1 : microstructure_Nconstituents ( m ) , m ) ) > size ( config_phase ) ) &
call IO_error ( 150 , m , ext_msg = 'phase' )
if ( minval ( microstructure_texture ( 1 : microstructure_Nconstituents ( m ) , m ) ) < 1 . or . &
maxval ( microstructure_texture ( 1 : microstructure_Nconstituents ( m ) , m ) ) > size ( config_texture ) ) &
call IO_error ( 150 , m , ext_msg = 'texture' )
if ( microstructure_Nconstituents ( m ) < 1 ) &
call IO_error ( 151 , m )
enddo
debugOut : if ( iand ( myDebug , debug_levelExtensive ) / = 0 ) then
write ( 6 , '(/,a,/)' ) ' MATERIAL configuration'
write ( 6 , '(a32,1x,a16,1x,a6)' ) 'homogenization ' , 'type ' , 'grains'
do h = 1 , size ( config_homogenization )
write ( 6 , '(1x,a32,1x,a16,1x,i6)' ) config_name_homogenization ( h ) , homogenization_type ( h ) , homogenization_Ngrains ( h )
enddo
write ( 6 , '(/,a14,18x,1x,a11,1x,a12,1x,a13)' ) 'microstructure' , 'crystallite' , 'constituents'
do m = 1 , size ( config_microstructure )
write ( 6 , '(1x,a32,1x,i11,1x,i12)' ) config_name_microstructure ( m ) , &
microstructure_crystallite ( m ) , &
microstructure_Nconstituents ( m )
if ( microstructure_Nconstituents ( m ) > 0 ) then
do c = 1 , microstructure_Nconstituents ( m )
write ( 6 , '(a1,1x,a32,1x,a32,1x,f7.4)' ) '>' , config_name_phase ( microstructure_phase ( c , m ) ) , &
config_name_texture ( microstructure_texture ( c , m ) ) , &
microstructure_fraction ( c , m )
enddo
write ( 6 , * )
endif
enddo
endif debugOut
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! new mappings
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allocate ( material_phaseAt ( homogenization_maxNgrains , discretization_nElem ) , source = 0 )
allocate ( material_texture ( homogenization_maxNgrains , discretization_nIP , discretization_nElem ) , source = 0 ) !this is only needed by plasticity nonlocal
allocate ( material_orientation0 ( homogenization_maxNgrains , discretization_nIP , discretization_nElem ) )
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do e = 1 , discretization_nElem
do i = 1 , discretization_nIP
myMicro = discretization_microstructureAt ( e )
do c = 1 , homogenization_Ngrains ( discretization_homogenizationAt ( e ) )
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material_phaseAt ( c , e ) = microstructure_phase ( c , myMicro )
material_texture ( c , i , e ) = microstructure_texture ( c , myMicro )
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material_orientation0 ( c , i , e ) = texture_orientation ( material_texture ( c , i , e ) )
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enddo
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enddo
enddo
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deallocate ( microstructure_phase )
deallocate ( microstructure_texture )
allocate ( material_homogenizationAt , source = discretization_homogenizationAt )
allocate ( material_homogenizationMemberAt ( discretization_nIP , discretization_nElem ) , source = 0 )
allocate ( CounterHomogenization ( size ( config_homogenization ) ) , source = 0 )
do e = 1 , discretization_nElem
do i = 1 , discretization_nIP
CounterHomogenization ( material_homogenizationAt ( e ) ) = &
CounterHomogenization ( material_homogenizationAt ( e ) ) + 1
material_homogenizationMemberAt ( i , e ) = CounterHomogenization ( material_homogenizationAt ( e ) )
enddo
enddo
allocate ( material_phaseMemberAt ( homogenization_maxNgrains , discretization_nIP , discretization_nElem ) , source = 0 )
allocate ( CounterPhase ( size ( config_phase ) ) , source = 0 )
do e = 1 , discretization_nElem
do i = 1 , discretization_nIP
do c = 1 , homogenization_maxNgrains
CounterPhase ( material_phaseAt ( c , e ) ) = &
CounterPhase ( material_phaseAt ( c , e ) ) + 1
material_phaseMemberAt ( c , i , e ) = CounterPhase ( material_phaseAt ( c , e ) )
enddo
enddo
enddo
call config_deallocate ( 'material.config/microstructure' )
call config_deallocate ( 'material.config/texture' )
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#if defined(PETSc) || defined(DAMASK_HDF5)
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call results_openJobFile
call results_mapping_constituent ( material_phaseAt , material_phaseMemberAt , config_name_phase )
call results_mapping_materialpoint ( material_homogenizationAt , material_homogenizationMemberAt , config_name_homogenization )
call results_closeJobFile
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#endif
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! BEGIN DEPRECATED
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allocate ( mappingHomogenization ( 2 , discretization_nIP , discretization_nElem ) , source = 0 )
allocate ( mappingHomogenizationConst ( discretization_nIP , discretization_nElem ) , source = 1 )
CounterHomogenization = 0
do e = 1 , discretization_nElem
myHomog = discretization_homogenizationAt ( e )
do i = 1 , discretization_nIP
CounterHomogenization ( myHomog ) = CounterHomogenization ( myHomog ) + 1
mappingHomogenization ( 1 : 2 , i , e ) = [ CounterHomogenization ( myHomog ) , huge ( 1 ) ]
enddo
enddo
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! hack needed to initialize field values used during constitutive and crystallite initializations
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do myHomog = 1 , size ( config_homogenization )
thermalMapping ( myHomog ) % p = > mappingHomogenizationConst
damageMapping ( myHomog ) % p = > mappingHomogenizationConst
allocate ( temperature ( myHomog ) % p ( 1 ) , source = thermal_initialT ( myHomog ) )
allocate ( damage ( myHomog ) % p ( 1 ) , source = damage_initialPhi ( myHomog ) )
allocate ( temperatureRate ( myHomog ) % p ( 1 ) , source = 0.0_pReal )
enddo
! END 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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!--------------------------------------------------------------------------------------------------
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subroutine material_parseHomogenization
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integer :: h
character ( len = 65536 ) :: tag
allocate ( homogenization_type ( size ( config_homogenization ) ) , source = HOMOGENIZATION_undefined_ID )
allocate ( thermal_type ( size ( config_homogenization ) ) , source = THERMAL_isothermal_ID )
allocate ( damage_type ( size ( config_homogenization ) ) , source = DAMAGE_none_ID )
allocate ( homogenization_typeInstance ( size ( config_homogenization ) ) , source = 0 )
allocate ( thermal_typeInstance ( size ( config_homogenization ) ) , source = 0 )
allocate ( damage_typeInstance ( size ( config_homogenization ) ) , source = 0 )
allocate ( homogenization_Ngrains ( size ( config_homogenization ) ) , source = 0 )
allocate ( homogenization_Noutput ( size ( config_homogenization ) ) , source = 0 )
allocate ( homogenization_active ( size ( config_homogenization ) ) , source = . false . ) !!!!!!!!!!!!!!!
allocate ( thermal_initialT ( size ( config_homogenization ) ) , source = 30 0.0_pReal )
allocate ( damage_initialPhi ( size ( config_homogenization ) ) , source = 1.0_pReal )
forall ( h = 1 : size ( config_homogenization ) ) &
homogenization_active ( h ) = any ( discretization_homogenizationAt == h )
do h = 1 , size ( config_homogenization )
homogenization_Noutput ( h ) = config_homogenization ( h ) % countKeys ( '(output)' )
tag = config_homogenization ( h ) % getString ( 'mech' )
select case ( trim ( tag ) )
case ( HOMOGENIZATION_NONE_label )
homogenization_type ( h ) = HOMOGENIZATION_NONE_ID
homogenization_Ngrains ( h ) = 1
case ( HOMOGENIZATION_ISOSTRAIN_label )
homogenization_type ( h ) = HOMOGENIZATION_ISOSTRAIN_ID
homogenization_Ngrains ( h ) = config_homogenization ( h ) % getInt ( 'nconstituents' )
case ( HOMOGENIZATION_RGC_label )
homogenization_type ( h ) = HOMOGENIZATION_RGC_ID
homogenization_Ngrains ( h ) = config_homogenization ( h ) % getInt ( 'nconstituents' )
case default
call IO_error ( 500 , ext_msg = trim ( tag ) )
end select
homogenization_typeInstance ( h ) = count ( homogenization_type == homogenization_type ( h ) )
if ( config_homogenization ( h ) % keyExists ( 'thermal' ) ) then
thermal_initialT ( h ) = config_homogenization ( h ) % getFloat ( 't0' , defaultVal = 30 0.0_pReal )
tag = config_homogenization ( h ) % getString ( 'thermal' )
select case ( trim ( tag ) )
case ( THERMAL_isothermal_label )
thermal_type ( h ) = THERMAL_isothermal_ID
case ( THERMAL_adiabatic_label )
thermal_type ( h ) = THERMAL_adiabatic_ID
case ( THERMAL_conduction_label )
thermal_type ( h ) = THERMAL_conduction_ID
case default
call IO_error ( 500 , ext_msg = trim ( tag ) )
end select
endif
if ( config_homogenization ( h ) % keyExists ( 'damage' ) ) then
damage_initialPhi ( h ) = config_homogenization ( h ) % getFloat ( 'initialdamage' , defaultVal = 1.0_pReal )
tag = config_homogenization ( h ) % getString ( 'damage' )
select case ( trim ( tag ) )
case ( DAMAGE_NONE_label )
damage_type ( h ) = DAMAGE_none_ID
case ( DAMAGE_LOCAL_label )
damage_type ( h ) = DAMAGE_local_ID
case ( DAMAGE_NONLOCAL_label )
damage_type ( h ) = DAMAGE_nonlocal_ID
case default
call IO_error ( 500 , ext_msg = trim ( tag ) )
end select
endif
enddo
do h = 1 , size ( config_homogenization )
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homogenization_typeInstance ( h ) = count ( homogenization_type ( 1 : h ) == homogenization_type ( h ) )
thermal_typeInstance ( h ) = count ( thermal_type ( 1 : h ) == thermal_type ( h ) )
damage_typeInstance ( h ) = count ( damage_type ( 1 : h ) == damage_type ( h ) )
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enddo
homogenization_maxNgrains = maxval ( homogenization_Ngrains , homogenization_active )
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end subroutine material_parseHomogenization
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!--------------------------------------------------------------------------------------------------
!> @brief parses the microstructure part in the material configuration file
!--------------------------------------------------------------------------------------------------
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subroutine material_parseMicrostructure
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character ( len = 65536 ) , dimension ( : ) , allocatable :: &
strings
integer , allocatable , dimension ( : ) :: chunkPos
integer :: e , m , c , i
character ( len = 65536 ) :: &
tag
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allocate ( microstructure_crystallite ( size ( config_microstructure ) ) , source = 0 )
allocate ( microstructure_Nconstituents ( size ( config_microstructure ) ) , source = 0 )
allocate ( microstructure_active ( size ( config_microstructure ) ) , source = . false . )
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if ( any ( discretization_microstructureAt > size ( config_microstructure ) ) ) &
call IO_error ( 155 , ext_msg = 'More microstructures in geometry than sections in material.config' )
forall ( e = 1 : discretization_nElem ) &
microstructure_active ( discretization_microstructureAt ( e ) ) = . true . ! current microstructure used in model? Elementwise view, maximum N operations for N elements
do m = 1 , size ( config_microstructure )
microstructure_Nconstituents ( m ) = config_microstructure ( m ) % countKeys ( '(constituent)' )
microstructure_crystallite ( m ) = config_microstructure ( m ) % getInt ( 'crystallite' )
enddo
microstructure_maxNconstituents = maxval ( microstructure_Nconstituents )
allocate ( microstructure_phase ( microstructure_maxNconstituents , size ( config_microstructure ) ) , source = 0 )
allocate ( microstructure_texture ( microstructure_maxNconstituents , size ( config_microstructure ) ) , source = 0 )
allocate ( microstructure_fraction ( microstructure_maxNconstituents , size ( config_microstructure ) ) , source = 0.0_pReal )
allocate ( strings ( 1 ) ) ! Intel 16.0 Bug
do m = 1 , size ( config_microstructure )
strings = config_microstructure ( m ) % getStrings ( '(constituent)' , raw = . true . )
do c = 1 , size ( strings )
chunkPos = IO_stringPos ( strings ( c ) )
do i = 1 , 5 , 2
tag = IO_stringValue ( strings ( c ) , chunkPos , i )
select case ( tag )
case ( 'phase' )
microstructure_phase ( c , m ) = IO_intValue ( strings ( c ) , chunkPos , i + 1 )
case ( 'texture' )
microstructure_texture ( c , m ) = IO_intValue ( strings ( c ) , chunkPos , i + 1 )
case ( 'fraction' )
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microstructure_fraction ( c , m ) = IO_floatValue ( strings ( c ) , chunkPos , i + 1 )
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end select
enddo
enddo
if ( dNeq ( sum ( microstructure_fraction ( : , m ) ) , 1.0_pReal ) ) call IO_error ( 153 , ext_msg = config_name_microstructure ( m ) )
enddo
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end subroutine material_parseMicrostructure
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!--------------------------------------------------------------------------------------------------
!> @brief parses the crystallite part in the material configuration file
!--------------------------------------------------------------------------------------------------
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subroutine material_parseCrystallite
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integer :: c
allocate ( crystallite_Noutput ( size ( config_crystallite ) ) , source = 0 )
do c = 1 , size ( config_crystallite )
crystallite_Noutput ( c ) = config_crystallite ( c ) % countKeys ( '(output)' )
enddo
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end subroutine material_parseCrystallite
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!--------------------------------------------------------------------------------------------------
!> @brief parses the phase part in the material configuration file
!--------------------------------------------------------------------------------------------------
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subroutine material_parsePhase
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integer :: sourceCtr , kinematicsCtr , stiffDegradationCtr , p
character ( len = 65536 ) , dimension ( : ) , allocatable :: str
allocate ( phase_elasticity ( size ( config_phase ) ) , source = ELASTICITY_undefined_ID )
allocate ( phase_plasticity ( size ( config_phase ) ) , source = PLASTICITY_undefined_ID )
allocate ( phase_Nsources ( size ( config_phase ) ) , source = 0 )
allocate ( phase_Nkinematics ( size ( config_phase ) ) , source = 0 )
allocate ( phase_NstiffnessDegradations ( size ( config_phase ) ) , source = 0 )
allocate ( phase_Noutput ( size ( config_phase ) ) , source = 0 )
allocate ( phase_localPlasticity ( size ( config_phase ) ) , source = . false . )
do p = 1 , size ( config_phase )
phase_Noutput ( p ) = config_phase ( p ) % countKeys ( '(output)' )
phase_Nsources ( p ) = config_phase ( p ) % countKeys ( '(source)' )
phase_Nkinematics ( p ) = config_phase ( p ) % countKeys ( '(kinematics)' )
phase_NstiffnessDegradations ( p ) = config_phase ( p ) % countKeys ( '(stiffness_degradation)' )
phase_localPlasticity ( p ) = . not . config_phase ( p ) % KeyExists ( '/nonlocal/' )
select case ( config_phase ( p ) % getString ( 'elasticity' ) )
case ( ELASTICITY_HOOKE_label )
phase_elasticity ( p ) = ELASTICITY_HOOKE_ID
case default
call IO_error ( 200 , ext_msg = trim ( config_phase ( p ) % getString ( 'elasticity' ) ) )
end select
select case ( config_phase ( p ) % getString ( 'plasticity' ) )
case ( PLASTICITY_NONE_label )
phase_plasticity ( p ) = PLASTICITY_NONE_ID
case ( PLASTICITY_ISOTROPIC_label )
phase_plasticity ( p ) = PLASTICITY_ISOTROPIC_ID
case ( PLASTICITY_PHENOPOWERLAW_label )
phase_plasticity ( p ) = PLASTICITY_PHENOPOWERLAW_ID
case ( PLASTICITY_KINEHARDENING_label )
phase_plasticity ( p ) = PLASTICITY_KINEHARDENING_ID
case ( PLASTICITY_DISLOTWIN_label )
phase_plasticity ( p ) = PLASTICITY_DISLOTWIN_ID
case ( PLASTICITY_DISLOUCLA_label )
phase_plasticity ( p ) = PLASTICITY_DISLOUCLA_ID
case ( PLASTICITY_NONLOCAL_label )
phase_plasticity ( p ) = PLASTICITY_NONLOCAL_ID
case default
call IO_error ( 201 , ext_msg = trim ( config_phase ( p ) % getString ( 'plasticity' ) ) )
end select
enddo
allocate ( phase_source ( maxval ( phase_Nsources ) , size ( config_phase ) ) , source = SOURCE_undefined_ID )
allocate ( phase_kinematics ( maxval ( phase_Nkinematics ) , size ( config_phase ) ) , source = KINEMATICS_undefined_ID )
allocate ( phase_stiffnessDegradation ( maxval ( phase_NstiffnessDegradations ) , size ( config_phase ) ) , &
source = STIFFNESS_DEGRADATION_undefined_ID )
do p = 1 , size ( config_phase )
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#if defined(__GFORTRAN__) || defined(__PGI)
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str = [ 'GfortranBug86277' ]
str = config_phase ( p ) % getStrings ( '(source)' , defaultVal = str )
if ( str ( 1 ) == 'GfortranBug86277' ) str = [ character ( len = 65536 ) :: ]
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#else
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str = config_phase ( p ) % getStrings ( '(source)' , defaultVal = [ character ( len = 65536 ) :: ] )
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#endif
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do sourceCtr = 1 , size ( str )
select case ( trim ( str ( sourceCtr ) ) )
case ( SOURCE_thermal_dissipation_label )
phase_source ( sourceCtr , p ) = SOURCE_thermal_dissipation_ID
case ( SOURCE_thermal_externalheat_label )
phase_source ( sourceCtr , p ) = SOURCE_thermal_externalheat_ID
case ( SOURCE_damage_isoBrittle_label )
phase_source ( sourceCtr , p ) = SOURCE_damage_isoBrittle_ID
case ( SOURCE_damage_isoDuctile_label )
phase_source ( sourceCtr , p ) = SOURCE_damage_isoDuctile_ID
case ( SOURCE_damage_anisoBrittle_label )
phase_source ( sourceCtr , p ) = SOURCE_damage_anisoBrittle_ID
case ( SOURCE_damage_anisoDuctile_label )
phase_source ( sourceCtr , p ) = SOURCE_damage_anisoDuctile_ID
end select
enddo
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#if defined(__GFORTRAN__) || defined(__PGI)
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str = [ 'GfortranBug86277' ]
str = config_phase ( p ) % getStrings ( '(kinematics)' , defaultVal = str )
if ( str ( 1 ) == 'GfortranBug86277' ) str = [ character ( len = 65536 ) :: ]
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#else
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str = config_phase ( p ) % getStrings ( '(kinematics)' , defaultVal = [ character ( len = 65536 ) :: ] )
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#endif
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do kinematicsCtr = 1 , size ( str )
select case ( trim ( str ( kinematicsCtr ) ) )
case ( KINEMATICS_cleavage_opening_label )
phase_kinematics ( kinematicsCtr , p ) = KINEMATICS_cleavage_opening_ID
case ( KINEMATICS_slipplane_opening_label )
phase_kinematics ( kinematicsCtr , p ) = KINEMATICS_slipplane_opening_ID
case ( KINEMATICS_thermal_expansion_label )
phase_kinematics ( kinematicsCtr , p ) = KINEMATICS_thermal_expansion_ID
end select
enddo
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#if defined(__GFORTRAN__) || defined(__PGI)
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str = [ 'GfortranBug86277' ]
str = config_phase ( p ) % getStrings ( '(stiffness_degradation)' , defaultVal = str )
if ( str ( 1 ) == 'GfortranBug86277' ) str = [ character ( len = 65536 ) :: ]
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#else
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str = config_phase ( p ) % getStrings ( '(stiffness_degradation)' , defaultVal = [ character ( len = 65536 ) :: ] )
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#endif
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do stiffDegradationCtr = 1 , size ( str )
select case ( trim ( str ( stiffDegradationCtr ) ) )
case ( STIFFNESS_DEGRADATION_damage_label )
phase_stiffnessDegradation ( stiffDegradationCtr , p ) = STIFFNESS_DEGRADATION_damage_ID
end select
enddo
enddo
allocate ( phase_plasticityInstance ( size ( config_phase ) ) , source = 0 )
allocate ( phase_elasticityInstance ( size ( config_phase ) ) , source = 0 )
do p = 1 , size ( config_phase )
phase_elasticityInstance ( p ) = count ( phase_elasticity ( 1 : p ) == phase_elasticity ( p ) )
phase_plasticityInstance ( p ) = count ( phase_plasticity ( 1 : p ) == phase_plasticity ( p ) )
enddo
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end subroutine material_parsePhase
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!--------------------------------------------------------------------------------------------------
!> @brief parses the texture part in the material configuration file
!--------------------------------------------------------------------------------------------------
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subroutine material_parseTexture
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integer :: j , t
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character ( len = 65536 ) , dimension ( : ) , allocatable :: strings ! Values for given key in material config
integer , dimension ( : ) , allocatable :: chunkPos
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real ( pReal ) , dimension ( 3 , 3 ) :: transformation ! maps texture to microstructure coordinate system
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real ( pReal ) , dimension ( 3 ) :: Eulers ! Euler angles in degrees from file
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type ( rotation ) :: transformation_
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do t = 1 , size ( config_texture )
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if ( config_texture ( t ) % countKeys ( '(gauss)' ) / = 1 ) call IO_error ( 147 , ext_msg = 'count((gauss)) != 1' )
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if ( config_texture ( t ) % keyExists ( 'symmetry' ) ) call IO_error ( 147 , ext_msg = 'symmetry' )
if ( config_texture ( t ) % keyExists ( '(random)' ) ) call IO_error ( 147 , ext_msg = '(random)' )
if ( config_texture ( t ) % keyExists ( '(fiber)' ) ) call IO_error ( 147 , ext_msg = '(fiber)' )
enddo
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allocate ( texture_orientation ( size ( config_texture ) ) )
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do t = 1 , size ( config_texture )
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strings = config_texture ( t ) % getStrings ( '(gauss)' , raw = . true . )
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chunkPos = IO_stringPos ( strings ( 1 ) )
do j = 1 , 9 , 2
select case ( IO_stringValue ( strings ( 1 ) , chunkPos , j ) )
case ( 'phi1' )
Eulers ( 1 ) = IO_floatValue ( strings ( 1 ) , chunkPos , j + 1 )
case ( 'phi' )
Eulers ( 2 ) = IO_floatValue ( strings ( 1 ) , chunkPos , j + 1 )
case ( 'phi2' )
Eulers ( 3 ) = IO_floatValue ( strings ( 1 ) , chunkPos , j + 1 )
end select
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enddo
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call texture_orientation ( t ) % fromEulers ( Eulers , degrees = . true . )
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if ( config_texture ( t ) % keyExists ( 'axes' ) ) then
strings = config_texture ( t ) % getStrings ( 'axes' )
do j = 1 , 3 ! look for "x", "y", and "z" entries
select case ( strings ( j ) )
case ( 'x' , '+x' )
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transformation ( j , 1 : 3 ) = [ 1.0_pReal , 0.0_pReal , 0.0_pReal ] ! original axis is now +x-axis
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case ( '-x' )
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transformation ( j , 1 : 3 ) = [ - 1.0_pReal , 0.0_pReal , 0.0_pReal ] ! original axis is now -x-axis
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case ( 'y' , '+y' )
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transformation ( j , 1 : 3 ) = [ 0.0_pReal , 1.0_pReal , 0.0_pReal ] ! original axis is now +y-axis
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case ( '-y' )
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transformation ( j , 1 : 3 ) = [ 0.0_pReal , - 1.0_pReal , 0.0_pReal ] ! original axis is now -y-axis
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case ( 'z' , '+z' )
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transformation ( j , 1 : 3 ) = [ 0.0_pReal , 0.0_pReal , 1.0_pReal ] ! original axis is now +z-axis
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case ( '-z' )
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transformation ( j , 1 : 3 ) = [ 0.0_pReal , 0.0_pReal , - 1.0_pReal ] ! original axis is now -z-axis
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case default
call IO_error ( 157 , t )
end select
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enddo
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if ( dNeq ( math_det33 ( transformation ) , 1.0_pReal ) ) call IO_error ( 157 , t )
call transformation_ % fromMatrix ( transformation )
texture_orientation ( t ) = texture_orientation ( t ) * transformation_
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endif
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enddo
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end subroutine material_parseTexture
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!--------------------------------------------------------------------------------------------------
!> @brief allocates the plastic state of a phase
!--------------------------------------------------------------------------------------------------
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subroutine material_allocatePlasticState ( phase , NofMyPhase , &
sizeState , sizeDotState , sizeDeltaState , &
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Nslip , Ntwin , Ntrans )
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integer , intent ( in ) :: &
phase , &
NofMyPhase , &
sizeState , &
sizeDotState , &
sizeDeltaState , &
Nslip , &
Ntwin , &
Ntrans
plasticState ( phase ) % sizeState = sizeState
plasticState ( phase ) % sizeDotState = sizeDotState
plasticState ( phase ) % sizeDeltaState = sizeDeltaState
plasticState ( phase ) % offsetDeltaState = sizeState - sizeDeltaState ! deltaState occupies latter part of state by definition
plasticState ( phase ) % Nslip = Nslip
plasticState ( phase ) % Ntwin = Ntwin
plasticState ( phase ) % Ntrans = Ntrans
allocate ( plasticState ( phase ) % aTolState ( sizeState ) , source = 0.0_pReal )
allocate ( plasticState ( phase ) % state0 ( sizeState , NofMyPhase ) , source = 0.0_pReal )
allocate ( plasticState ( phase ) % partionedState0 ( sizeState , NofMyPhase ) , source = 0.0_pReal )
allocate ( plasticState ( phase ) % subState0 ( sizeState , NofMyPhase ) , source = 0.0_pReal )
allocate ( plasticState ( phase ) % state ( sizeState , NofMyPhase ) , source = 0.0_pReal )
allocate ( plasticState ( phase ) % dotState ( sizeDotState , NofMyPhase ) , source = 0.0_pReal )
if ( numerics_integrator == 1 ) then
allocate ( plasticState ( phase ) % previousDotState ( sizeDotState , NofMyPhase ) , source = 0.0_pReal )
allocate ( plasticState ( phase ) % previousDotState2 ( sizeDotState , NofMyPhase ) , source = 0.0_pReal )
endif
if ( numerics_integrator == 4 ) &
allocate ( plasticState ( phase ) % RK4dotState ( sizeDotState , NofMyPhase ) , source = 0.0_pReal )
if ( numerics_integrator == 5 ) &
allocate ( plasticState ( phase ) % RKCK45dotState ( 6 , sizeDotState , NofMyPhase ) , source = 0.0_pReal )
allocate ( plasticState ( phase ) % deltaState ( sizeDeltaState , NofMyPhase ) , source = 0.0_pReal )
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end subroutine material_allocatePlasticState
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!--------------------------------------------------------------------------------------------------
!> @brief allocates the source state of a phase
!--------------------------------------------------------------------------------------------------
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subroutine material_allocateSourceState ( phase , of , NofMyPhase , &
sizeState , sizeDotState , sizeDeltaState )
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integer , intent ( in ) :: &
phase , &
of , &
NofMyPhase , &
sizeState , sizeDotState , sizeDeltaState
sourceState ( phase ) % p ( of ) % sizeState = sizeState
sourceState ( phase ) % p ( of ) % sizeDotState = sizeDotState
sourceState ( phase ) % p ( of ) % sizeDeltaState = sizeDeltaState
sourceState ( phase ) % p ( of ) % offsetDeltaState = sizeState - sizeDeltaState ! deltaState occupies latter part of state by definition
allocate ( sourceState ( phase ) % p ( of ) % aTolState ( sizeState ) , source = 0.0_pReal )
allocate ( sourceState ( phase ) % p ( of ) % state0 ( sizeState , NofMyPhase ) , source = 0.0_pReal )
allocate ( sourceState ( phase ) % p ( of ) % partionedState0 ( sizeState , NofMyPhase ) , source = 0.0_pReal )
allocate ( sourceState ( phase ) % p ( of ) % subState0 ( sizeState , NofMyPhase ) , source = 0.0_pReal )
allocate ( sourceState ( phase ) % p ( of ) % state ( sizeState , NofMyPhase ) , source = 0.0_pReal )
allocate ( sourceState ( phase ) % p ( of ) % dotState ( sizeDotState , NofMyPhase ) , source = 0.0_pReal )
if ( numerics_integrator == 1 ) then
allocate ( sourceState ( phase ) % p ( of ) % previousDotState ( sizeDotState , NofMyPhase ) , source = 0.0_pReal )
allocate ( sourceState ( phase ) % p ( of ) % previousDotState2 ( sizeDotState , NofMyPhase ) , source = 0.0_pReal )
endif
if ( numerics_integrator == 4 ) &
allocate ( sourceState ( phase ) % p ( of ) % RK4dotState ( sizeDotState , NofMyPhase ) , source = 0.0_pReal )
if ( numerics_integrator == 5 ) &
allocate ( sourceState ( phase ) % p ( of ) % RKCK45dotState ( 6 , sizeDotState , NofMyPhase ) , source = 0.0_pReal )
allocate ( sourceState ( phase ) % p ( of ) % deltaState ( sizeDeltaState , NofMyPhase ) , source = 0.0_pReal )
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end subroutine material_allocateSourceState
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end module material