511 lines
23 KiB
Fortran
511 lines
23 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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! $Id$
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!--------------------------------------------------------------------------------------------------
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Luv Sharma, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief material subroutine incoprorating isotropic brittle damage
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!> @details to be done
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!--------------------------------------------------------------------------------------------------
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module damage_phaseField
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use prec, only: &
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pReal, &
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pInt
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implicit none
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private
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integer(pInt), dimension(:), allocatable, public, protected :: &
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damage_phaseField_sizePostResults !< cumulative size of post results
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integer(pInt), dimension(:,:), allocatable, target, public :: &
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damage_phaseField_sizePostResult !< size of each post result output
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character(len=64), dimension(:,:), allocatable, target, public :: &
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damage_phaseField_output !< name of each post result output
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integer(pInt), dimension(:), allocatable, target, public :: &
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damage_phaseField_Noutput !< number of outputs per instance of this damage
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real(pReal), dimension(:), allocatable, private :: &
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damage_phaseField_aTol, &
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damage_phaseField_surfaceEnergy, &
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damage_phaseField_vacancyFormationEnergy, &
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damage_phaseField_atomicVol, &
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damage_phaseField_specificVacancyFormationEnergy
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enum, bind(c)
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enumerator :: undefined_ID, &
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local_damage_ID
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end enum !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!11 ToDo
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integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: &
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damage_phaseField_outputID !< ID of each post result output
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public :: &
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damage_phaseField_init, &
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damage_phaseField_stateInit, &
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damage_phaseField_aTolState, &
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damage_phaseField_microstructure, &
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damage_phaseField_getDamage, &
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damage_phaseField_putLocalDamage, &
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damage_phaseField_getLocalDamage, &
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damage_phaseField_getDamageDiffusion33, &
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damage_phaseField_getDamagedC66, &
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damage_phaseField_postResults
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief module initialization
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!> @details reads in material parameters, allocates arrays, and does sanity checks
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!--------------------------------------------------------------------------------------------------
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subroutine damage_phaseField_init(fileUnit)
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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 debug, only: &
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debug_level,&
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debug_constitutive,&
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debug_levelBasic
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use IO, only: &
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IO_read, &
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IO_lc, &
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IO_getTag, &
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IO_isBlank, &
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IO_stringPos, &
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IO_stringValue, &
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IO_floatValue, &
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IO_intValue, &
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IO_warning, &
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IO_error, &
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IO_timeStamp, &
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IO_EOF
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use material, only: &
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phase_damage, &
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phase_damageInstance, &
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phase_Noutput, &
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LOCAL_damage_phaseField_label, &
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LOCAL_damage_phaseField_ID, &
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material_phase, &
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damageState, &
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MATERIAL_partPhase
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use numerics,only: &
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worldrank, &
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numerics_integrator
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implicit none
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integer(pInt), intent(in) :: fileUnit
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integer(pInt), parameter :: MAXNCHUNKS = 7_pInt
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integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
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integer(pInt) :: maxNinstance,mySize=0_pInt,phase,instance,o
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integer(pInt) :: sizeState, sizeDotState
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integer(pInt) :: NofMyPhase
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character(len=65536) :: &
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tag = '', &
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line = ''
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mainProcess: if (worldrank == 0) then
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write(6,'(/,a)') ' <<<+- damage_'//LOCAL_damage_phaseField_label//' 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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endif mainProcess
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maxNinstance = int(count(phase_damage == LOCAL_damage_phaseField_ID),pInt)
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if (maxNinstance == 0_pInt) return
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if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
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write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
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allocate(damage_phaseField_sizePostResults(maxNinstance), source=0_pInt)
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allocate(damage_phaseField_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt)
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allocate(damage_phaseField_output(maxval(phase_Noutput),maxNinstance))
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damage_phaseField_output = ''
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allocate(damage_phaseField_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID)
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allocate(damage_phaseField_Noutput(maxNinstance), source=0_pInt)
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allocate(damage_phaseField_surfaceEnergy(maxNinstance), source=0.0_pReal)
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allocate(damage_phaseField_vacancyFormationEnergy(maxNinstance), source=0.0_pReal)
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allocate(damage_phaseField_atomicVol(maxNinstance), source=0.0_pReal)
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allocate(damage_phaseField_specificVacancyFormationEnergy(maxNinstance), source=0.0_pReal)
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allocate(damage_phaseField_aTol(maxNinstance), source=0.0_pReal)
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rewind(fileUnit)
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phase = 0_pInt
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do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to <phase>
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line = IO_read(fileUnit)
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enddo
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parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part
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line = IO_read(fileUnit)
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if (IO_isBlank(line)) cycle ! skip empty lines
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if (IO_getTag(line,'<','>') /= '') then ! stop at next part
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line = IO_read(fileUnit, .true.) ! reset IO_read
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exit
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endif
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if (IO_getTag(line,'[',']') /= '') then ! next phase section
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phase = phase + 1_pInt ! advance phase section counter
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cycle ! skip to next line
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endif
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if (phase > 0_pInt ) then; if (phase_damage(phase) == LOCAL_damage_phaseField_ID) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
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instance = phase_damageInstance(phase) ! which instance of my damage is present phase
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positions = IO_stringPos(line,MAXNCHUNKS)
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tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
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select case(tag)
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case ('(output)')
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select case(IO_lc(IO_stringValue(line,positions,2_pInt)))
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case ('local_damage')
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damage_phaseField_Noutput(instance) = damage_phaseField_Noutput(instance) + 1_pInt
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damage_phaseField_outputID(damage_phaseField_Noutput(instance),instance) = local_damage_ID
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damage_phaseField_output(damage_phaseField_Noutput(instance),instance) = &
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IO_lc(IO_stringValue(line,positions,2_pInt))
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end select
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case ('surfaceenergy')
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damage_phaseField_surfaceEnergy(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancyformationenergy')
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damage_phaseField_vacancyFormationEnergy(instance) = IO_floatValue(line,positions,2_pInt)
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case ('atomicvolume')
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damage_phaseField_atomicVol(instance) = IO_floatValue(line,positions,2_pInt)
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case ('atol_damage')
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damage_phaseField_aTol(instance) = IO_floatValue(line,positions,2_pInt)
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end select
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endif; endif
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enddo parsingFile
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sanityChecks: do phase = 1_pInt, size(phase_damage)
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myPhase: if (phase_damage(phase) == LOCAL_damage_phaseField_ID) then
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NofMyPhase=count(material_phase==phase)
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instance = phase_damageInstance(phase)
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! sanity checks
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if (damage_phaseField_aTol(instance) < 0.0_pReal) &
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damage_phaseField_aTol(instance) = 1.0e-3_pReal ! default absolute tolerance 1e-3
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if (damage_phaseField_surfaceEnergy(instance) <= 0.0_pReal) &
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call IO_error(211_pInt,el=instance,ext_msg='surfaceEnergy ('//LOCAL_damage_phaseField_LABEL//')')
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endif myPhase
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enddo sanityChecks
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initializeInstances: do phase = 1_pInt, size(phase_damage)
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if (phase_damage(phase) == LOCAL_damage_phaseField_ID) then
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NofMyPhase=count(material_phase==phase)
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instance = phase_damageInstance(phase)
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!--------------------------------------------------------------------------------------------------
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! pre-calculating derived material parameters
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damage_phaseField_specificVacancyFormationEnergy(instance) = &
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damage_phaseField_vacancyFormationEnergy(instance)/damage_phaseField_atomicVol(instance)
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!--------------------------------------------------------------------------------------------------
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! Determine size of postResults array
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outputsLoop: do o = 1_pInt,damage_phaseField_Noutput(instance)
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select case(damage_phaseField_outputID(o,instance))
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case(local_damage_ID)
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mySize = 1_pInt
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end select
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if (mySize > 0_pInt) then ! any meaningful output found
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damage_phaseField_sizePostResult(o,instance) = mySize
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damage_phaseField_sizePostResults(instance) = damage_phaseField_sizePostResults(instance) + mySize
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endif
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enddo outputsLoop
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! Determine size of state array
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sizeDotState = 0_pInt
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sizeState = 2_pInt
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damageState(phase)%sizeState = sizeState
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damageState(phase)%sizeDotState = sizeDotState
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damageState(phase)%sizePostResults = damage_phaseField_sizePostResults(instance)
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allocate(damageState(phase)%aTolState (sizeState), source=0.0_pReal)
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allocate(damageState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal)
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allocate(damageState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal)
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allocate(damageState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal)
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allocate(damageState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal)
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allocate(damageState(phase)%state_backup (sizeState,NofMyPhase), source=0.0_pReal)
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allocate(damageState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
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allocate(damageState(phase)%deltaState (sizeDotState,NofMyPhase), source=0.0_pReal)
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allocate(damageState(phase)%dotState_backup (sizeDotState,NofMyPhase), source=0.0_pReal)
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if (any(numerics_integrator == 1_pInt)) then
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allocate(damageState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal)
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allocate(damageState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal)
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endif
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if (any(numerics_integrator == 4_pInt)) &
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allocate(damageState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
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if (any(numerics_integrator == 5_pInt)) &
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allocate(damageState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal)
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call damage_phaseField_stateInit(phase)
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call damage_phaseField_aTolState(phase,instance)
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endif
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enddo initializeInstances
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end subroutine damage_phaseField_init
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!--------------------------------------------------------------------------------------------------
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!> @brief sets the relevant NEW state values for a given instance of this damage
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!--------------------------------------------------------------------------------------------------
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subroutine damage_phaseField_stateInit(phase)
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use material, only: &
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damageState
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implicit none
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integer(pInt), intent(in) :: phase !< number specifying the phase of the damage
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real(pReal), dimension(damageState(phase)%sizeState) :: tempState
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tempState = 1.0_pReal
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damageState(phase)%state = spread(tempState,2,size(damageState(phase)%state(1,:)))
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damageState(phase)%state0 = damageState(phase)%state
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damageState(phase)%partionedState0 = damageState(phase)%state
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end subroutine damage_phaseField_stateInit
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!--------------------------------------------------------------------------------------------------
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!> @brief sets the relevant state values for a given instance of this damage
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!--------------------------------------------------------------------------------------------------
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subroutine damage_phaseField_aTolState(phase,instance)
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use material, only: &
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damageState
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implicit none
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integer(pInt), intent(in) :: &
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phase, &
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instance ! number specifying the current instance of the damage
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real(pReal), dimension(damageState(phase)%sizeState) :: tempTol
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tempTol = damage_phaseField_aTol(instance)
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damageState(phase)%aTolState = tempTol
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end subroutine damage_phaseField_aTolState
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates derived quantities from state
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!--------------------------------------------------------------------------------------------------
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subroutine damage_phaseField_microstructure(C, Fe, Cv, subdt, ipc, ip, el)
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use numerics, only: &
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residualStiffness
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use material, only: &
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mappingConstitutive, &
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phase_damageInstance, &
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damageState
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use math, only : &
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math_mul33x33, &
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math_mul66x6, &
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math_Mandel33to6, &
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math_transpose33, &
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math_I3
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use lattice, only: &
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lattice_DamageMobility
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implicit none
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integer(pInt), intent(in) :: &
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ipc, & !< component-ID of integration point
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ip, & !< integration point
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el !< element
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real(pReal), intent(in), dimension(3,3) :: &
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Fe
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real(pReal), intent(in), dimension(6,6) :: &
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C
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real(pReal), intent(in) :: &
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Cv
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real(pReal), intent(in) :: &
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subdt
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integer(pInt) :: &
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phase, constituent, instance
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real(pReal) :: &
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strain(6), &
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stress(6), &
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drivingForce
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phase = mappingConstitutive(2,ipc,ip,el)
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constituent = mappingConstitutive(1,ipc,ip,el)
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instance = phase_damageInstance(phase)
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strain = 0.5_pReal*math_Mandel33to6(math_mul33x33(math_transpose33(Fe),Fe)-math_I3)
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stress = math_mul66x6(C,strain)
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drivingForce = (1.0_pReal - Cv)*(1.0_pReal - Cv) + &
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(Cv*damage_phaseField_specificVacancyFormationEnergy(instance) + &
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sum(abs(stress*strain)))/damage_phaseField_surfaceEnergy(instance)
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damageState(phase)%state(2,constituent) = &
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max(residualStiffness,(1.0_pReal - Cv)*(1.0_pReal - Cv)/drivingForce)
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damageState(phase)%state(1,constituent) = &
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damageState(phase)%state(2,constituent) + &
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(damageState(phase)%subState0(1,constituent) - damageState(phase)%state(2,constituent))* &
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exp(-2.0_pReal*subdt*drivingForce/lattice_DamageMobility(phase))
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end subroutine damage_phaseField_microstructure
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!--------------------------------------------------------------------------------------------------
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!> @brief returns damage
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!--------------------------------------------------------------------------------------------------
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pure function damage_phaseField_getDamage(ipc, ip, el)
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use material, only: &
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material_homog, &
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mappingHomogenization, &
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mappingConstitutive, &
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damageState, &
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fieldDamage, &
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field_damage_type, &
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FIELD_DAMAGE_LOCAL_ID, &
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FIELD_DAMAGE_NONLOCAL_ID
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implicit none
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integer(pInt), intent(in) :: &
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ipc, & !< grain number
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ip, & !< integration point number
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el !< element number
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real(pReal) :: damage_phaseField_getDamage
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select case(field_damage_type(material_homog(ip,el)))
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case default
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damage_phaseField_getDamage = damageState(mappingConstitutive(2,ipc,ip,el))% &
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state0(1,mappingConstitutive(1,ipc,ip,el))
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case (FIELD_DAMAGE_NONLOCAL_ID)
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damage_phaseField_getDamage = fieldDamage(material_homog(ip,el))% &
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field(1,mappingHomogenization(1,ip,el)) ! Taylor type
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end select
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end function damage_phaseField_getDamage
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!--------------------------------------------------------------------------------------------------
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!> @brief returns temperature based on local damage model state layout
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!--------------------------------------------------------------------------------------------------
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subroutine damage_phaseField_putLocalDamage(ipc, ip, el, localDamage)
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use material, only: &
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mappingConstitutive, &
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damageState
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implicit none
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integer(pInt), intent(in) :: &
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ipc, & !< grain number
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ip, & !< integration point number
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el !< element number
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real(pReal), intent(in) :: localDamage
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damageState(mappingConstitutive(2,ipc,ip,el))%state(1,mappingConstitutive(1,ipc,ip,el)) = &
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localDamage
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end subroutine damage_phaseField_putLocalDamage
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!--------------------------------------------------------------------------------------------------
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!> @brief returns local damage
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!--------------------------------------------------------------------------------------------------
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pure function damage_phaseField_getLocalDamage(ipc, ip, el)
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use material, only: &
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mappingConstitutive, &
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damageState
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implicit none
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integer(pInt), intent(in) :: &
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ipc, & !< grain number
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ip, & !< integration point number
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el !< element number
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real(pReal) :: damage_phaseField_getLocalDamage
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damage_phaseField_getLocalDamage = &
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damageState(mappingConstitutive(2,ipc,ip,el))%state(1,mappingConstitutive(1,ipc,ip,el))
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end function damage_phaseField_getLocalDamage
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!--------------------------------------------------------------------------------------------------
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!> @brief returns brittle damage diffusion tensor
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!--------------------------------------------------------------------------------------------------
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pure function damage_phaseField_getDamageDiffusion33(ipc, ip, el)
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use lattice, only: &
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lattice_DamageDiffusion33
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use material, only: &
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mappingConstitutive
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implicit none
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integer(pInt), intent(in) :: &
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ipc, & !< grain number
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ip, & !< integration point number
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el !< element number
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real(pReal), dimension(3,3) :: &
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damage_phaseField_getDamageDiffusion33
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integer(pInt) :: &
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phase, constituent
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phase = mappingConstitutive(2,ipc,ip,el)
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constituent = mappingConstitutive(1,ipc,ip,el)
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damage_phaseField_getDamageDiffusion33 = &
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lattice_DamageDiffusion33(1:3,1:3,phase)
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end function damage_phaseField_getDamageDiffusion33
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!--------------------------------------------------------------------------------------------------
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!> @brief returns brittle damaged stiffness tensor
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!--------------------------------------------------------------------------------------------------
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pure function damage_phaseField_getDamagedC66(C, ipc, ip, el)
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use material, only: &
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mappingConstitutive
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implicit none
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integer(pInt), intent(in) :: &
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ipc, & !< grain number
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ip, & !< integration point number
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el !< element number
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real(pReal), intent(in), dimension(6,6) :: &
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|
C
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real(pReal), dimension(6,6) :: &
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|
damage_phaseField_getDamagedC66
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|
integer(pInt) :: &
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|
phase, constituent
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|
real(pReal) :: &
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|
damage
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|
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phase = mappingConstitutive(2,ipc,ip,el)
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|
constituent = mappingConstitutive(1,ipc,ip,el)
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|
damage = damage_phaseField_getDamage(ipc, ip, el)
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|
|
|
damage_phaseField_getDamagedC66 = &
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|
damage*damage*C
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|
|
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end function damage_phaseField_getDamagedC66
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|
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!--------------------------------------------------------------------------------------------------
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!> @brief return array of constitutive results
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|
!--------------------------------------------------------------------------------------------------
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function damage_phaseField_postResults(ipc,ip,el)
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|
use material, only: &
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|
mappingConstitutive, &
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|
phase_damageInstance,&
|
|
damageState
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|
|
|
implicit none
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|
integer(pInt), intent(in) :: &
|
|
ipc, & !< component-ID of integration point
|
|
ip, & !< integration point
|
|
el !< element
|
|
real(pReal), dimension(damage_phaseField_sizePostResults(phase_damageInstance(mappingConstitutive(2,ipc,ip,el)))) :: &
|
|
damage_phaseField_postResults
|
|
|
|
integer(pInt) :: &
|
|
instance, phase, constituent, o, c
|
|
|
|
phase = mappingConstitutive(2,ipc,ip,el)
|
|
constituent = mappingConstitutive(1,ipc,ip,el)
|
|
instance = phase_damageInstance(phase)
|
|
|
|
c = 0_pInt
|
|
damage_phaseField_postResults = 0.0_pReal
|
|
|
|
do o = 1_pInt,damage_phaseField_Noutput(instance)
|
|
select case(damage_phaseField_outputID(o,instance))
|
|
case (local_damage_ID)
|
|
damage_phaseField_postResults(c+1_pInt) = damageState(phase)%state(2,constituent)
|
|
c = c + 1
|
|
|
|
end select
|
|
enddo
|
|
end function damage_phaseField_postResults
|
|
|
|
end module damage_phaseField
|