324 lines
14 KiB
Fortran
324 lines
14 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief material subroutine for locally evolving vacancy concentration
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!> @details to be done
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!--------------------------------------------------------------------------------------------------
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module vacancyflux_isochempot
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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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vacancyflux_isochempot_sizePostResults !< cumulative size of post results
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integer(pInt), dimension(:,:), allocatable, target, public :: &
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vacancyflux_isochempot_sizePostResult !< size of each post result output
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character(len=64), dimension(:,:), allocatable, target, public :: &
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vacancyflux_isochempot_output !< name of each post result output
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integer(pInt), dimension(:), allocatable, target, public :: &
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vacancyflux_isochempot_Noutput !< number of outputs per instance of this damage
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enum, bind(c)
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enumerator :: undefined_ID, &
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vacancyconc_ID
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end enum
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integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: &
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vacancyflux_isochempot_outputID !< ID of each post result output
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public :: &
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vacancyflux_isochempot_init, &
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vacancyflux_isochempot_updateState, &
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vacancyflux_isochempot_getSourceAndItsTangent, &
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vacancyflux_isochempot_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 vacancyflux_isochempot_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 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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vacancyflux_type, &
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vacancyflux_typeInstance, &
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homogenization_Noutput, &
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VACANCYFLUX_isochempot_label, &
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VACANCYFLUX_isochempot_ID, &
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material_homog, &
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mappingHomogenization, &
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vacancyfluxState, &
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vacancyfluxMapping, &
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vacancyConc, &
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vacancyConcRate, &
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vacancyflux_initialCv, &
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material_partHomogenization
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implicit none
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integer(pInt), intent(in) :: fileUnit
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integer(pInt), allocatable, dimension(:) :: chunkPos
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integer(pInt) :: maxNinstance,mySize=0_pInt,section,instance,o
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integer(pInt) :: sizeState
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integer(pInt) :: NofMyHomog
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character(len=65536) :: &
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tag = '', &
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line = ''
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write(6,'(/,a)') ' <<<+- vacancyflux_'//VACANCYFLUX_isochempot_label//' init -+>>>'
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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maxNinstance = int(count(vacancyflux_type == VACANCYFLUX_isochempot_ID),pInt)
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if (maxNinstance == 0_pInt) return
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allocate(vacancyflux_isochempot_sizePostResults(maxNinstance), source=0_pInt)
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allocate(vacancyflux_isochempot_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0_pInt)
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allocate(vacancyflux_isochempot_output (maxval(homogenization_Noutput),maxNinstance))
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vacancyflux_isochempot_output = ''
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allocate(vacancyflux_isochempot_outputID (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID)
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allocate(vacancyflux_isochempot_Noutput (maxNinstance), source=0_pInt)
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rewind(fileUnit)
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section = 0_pInt
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do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization)! wind forward to <homogenization>
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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 homog 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 homog section
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section = section + 1_pInt ! advance homog section counter
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cycle ! skip to next line
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endif
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if (section > 0_pInt ) then; if (vacancyflux_type(section) == VACANCYFLUX_isochempot_ID) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
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instance = vacancyflux_typeInstance(section) ! which instance of my vacancyflux is present homog
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chunkPos = IO_stringPos(line)
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tag = IO_lc(IO_stringValue(line,chunkPos,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,chunkPos,2_pInt)))
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case ('vacancyconc')
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vacancyflux_isochempot_Noutput(instance) = vacancyflux_isochempot_Noutput(instance) + 1_pInt
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vacancyflux_isochempot_outputID(vacancyflux_isochempot_Noutput(instance),instance) = vacancyconc_ID
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vacancyflux_isochempot_output(vacancyflux_isochempot_Noutput(instance),instance) = &
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IO_lc(IO_stringValue(line,chunkPos,2_pInt))
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end select
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end select
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endif; endif
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enddo parsingFile
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initializeInstances: do section = 1_pInt, size(vacancyflux_type)
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if (vacancyflux_type(section) == VACANCYFLUX_isochempot_ID) then
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NofMyHomog=count(material_homog==section)
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instance = vacancyflux_typeInstance(section)
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!--------------------------------------------------------------------------------------------------
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! Determine size of postResults array
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outputsLoop: do o = 1_pInt,vacancyflux_isochempot_Noutput(instance)
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select case(vacancyflux_isochempot_outputID(o,instance))
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case(vacancyconc_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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vacancyflux_isochempot_sizePostResult(o,instance) = mySize
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vacancyflux_isochempot_sizePostResults(instance) = vacancyflux_isochempot_sizePostResults(instance) + mySize
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endif
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enddo outputsLoop
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! allocate state arrays
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sizeState = 1_pInt
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vacancyfluxState(section)%sizeState = sizeState
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vacancyfluxState(section)%sizePostResults = vacancyflux_isochempot_sizePostResults(instance)
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allocate(vacancyfluxState(section)%state0 (sizeState,NofMyHomog), source=vacancyflux_initialCv(section))
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allocate(vacancyfluxState(section)%subState0(sizeState,NofMyHomog), source=vacancyflux_initialCv(section))
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allocate(vacancyfluxState(section)%state (sizeState,NofMyHomog), source=vacancyflux_initialCv(section))
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nullify(vacancyfluxMapping(section)%p)
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vacancyfluxMapping(section)%p => mappingHomogenization(1,:,:)
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deallocate(vacancyConc(section)%p)
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vacancyConc(section)%p => vacancyfluxState(section)%state(1,:)
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deallocate(vacancyConcRate(section)%p)
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allocate(vacancyConcRate(section)%p(NofMyHomog), source=0.0_pReal)
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endif
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enddo initializeInstances
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end subroutine vacancyflux_isochempot_init
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates change in vacancy concentration based on local vacancy generation model
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!--------------------------------------------------------------------------------------------------
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function vacancyflux_isochempot_updateState(subdt, ip, el)
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use numerics, only: &
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err_vacancyflux_tolAbs, &
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err_vacancyflux_tolRel
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use material, only: &
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mappingHomogenization, &
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vacancyflux_typeInstance, &
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vacancyfluxState, &
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vacancyConc, &
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vacancyConcRate, &
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vacancyfluxMapping
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implicit none
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integer(pInt), intent(in) :: &
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ip, & !< integration point number
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el !< element number
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real(pReal), intent(in) :: &
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subdt
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logical, dimension(2) :: &
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vacancyflux_isochempot_updateState
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integer(pInt) :: &
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homog, &
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offset, &
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instance
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real(pReal) :: &
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Cv, Cvdot, dCvDot_dCv
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homog = mappingHomogenization(2,ip,el)
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offset = mappingHomogenization(1,ip,el)
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instance = vacancyflux_typeInstance(homog)
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Cv = vacancyfluxState(homog)%subState0(1,offset)
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call vacancyflux_isochempot_getSourceAndItsTangent(CvDot, dCvDot_dCv, Cv, ip, el)
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Cv = Cv + subdt*Cvdot
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vacancyflux_isochempot_updateState = [ abs(Cv - vacancyfluxState(homog)%state(1,offset)) &
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<= err_vacancyflux_tolAbs &
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.or. abs(Cv - vacancyfluxState(homog)%state(1,offset)) &
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<= err_vacancyflux_tolRel*abs(vacancyfluxState(homog)%state(1,offset)), &
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.true.]
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vacancyConc (homog)%p(vacancyfluxMapping(homog)%p(ip,el)) = Cv
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vacancyConcRate(homog)%p(vacancyfluxMapping(homog)%p(ip,el)) = &
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(vacancyfluxState(homog)%state(1,offset) - vacancyfluxState(homog)%subState0(1,offset))/(subdt+tiny(0.0_pReal))
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end function vacancyflux_isochempot_updateState
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates homogenized vacancy driving forces
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!--------------------------------------------------------------------------------------------------
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subroutine vacancyflux_isochempot_getSourceAndItsTangent(CvDot, dCvDot_dCv, Cv, ip, el)
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use material, only: &
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homogenization_Ngrains, &
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mappingHomogenization, &
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phaseAt, &
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phase_source, &
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phase_Nsources, &
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SOURCE_vacancy_phenoplasticity_ID, &
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SOURCE_vacancy_irradiation_ID, &
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SOURCE_vacancy_thermalfluc_ID
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use source_vacancy_phenoplasticity, only: &
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source_vacancy_phenoplasticity_getRateAndItsTangent
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use source_vacancy_irradiation, only: &
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source_vacancy_irradiation_getRateAndItsTangent
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use source_vacancy_thermalfluc, only: &
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source_vacancy_thermalfluc_getRateAndItsTangent
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implicit none
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integer(pInt), intent(in) :: &
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ip, & !< integration point number
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el !< element number
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real(pReal), intent(in) :: &
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Cv
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integer(pInt) :: &
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phase, &
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grain, &
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source
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real(pReal) :: &
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CvDot, dCvDot_dCv, localCvDot, dLocalCvDot_dCv
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CvDot = 0.0_pReal
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dCvDot_dCv = 0.0_pReal
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do grain = 1, homogenization_Ngrains(mappingHomogenization(2,ip,el))
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phase = phaseAt(grain,ip,el)
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do source = 1_pInt, phase_Nsources(phase)
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select case(phase_source(source,phase))
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case (SOURCE_vacancy_phenoplasticity_ID)
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call source_vacancy_phenoplasticity_getRateAndItsTangent (localCvDot, dLocalCvDot_dCv, grain, ip, el)
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case (SOURCE_vacancy_irradiation_ID)
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call source_vacancy_irradiation_getRateAndItsTangent (localCvDot, dLocalCvDot_dCv, grain, ip, el)
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case (SOURCE_vacancy_thermalfluc_ID)
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call source_vacancy_thermalfluc_getRateAndItsTangent(localCvDot, dLocalCvDot_dCv, grain, ip, el)
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end select
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CvDot = CvDot + localCvDot
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dCvDot_dCv = dCvDot_dCv + dLocalCvDot_dCv
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enddo
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enddo
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CvDot = CvDot/real(homogenization_Ngrains(mappingHomogenization(2,ip,el)),pReal)
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dCvDot_dCv = dCvDot_dCv/real(homogenization_Ngrains(mappingHomogenization(2,ip,el)),pReal)
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end subroutine vacancyflux_isochempot_getSourceAndItsTangent
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!--------------------------------------------------------------------------------------------------
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!> @brief return array of vacancy transport results
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!--------------------------------------------------------------------------------------------------
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function vacancyflux_isochempot_postResults(ip,el)
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use material, only: &
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mappingHomogenization, &
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vacancyflux_typeInstance, &
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vacancyConc, &
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vacancyfluxMapping
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implicit none
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integer(pInt), intent(in) :: &
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ip, & !< integration point
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el !< element
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real(pReal), dimension(vacancyflux_isochempot_sizePostResults(vacancyflux_typeInstance(mappingHomogenization(2,ip,el)))) :: &
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vacancyflux_isochempot_postResults
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integer(pInt) :: &
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instance, homog, offset, o, c
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homog = mappingHomogenization(2,ip,el)
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offset = vacancyfluxMapping(homog)%p(ip,el)
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instance = vacancyflux_typeInstance(homog)
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c = 0_pInt
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vacancyflux_isochempot_postResults = 0.0_pReal
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do o = 1_pInt,vacancyflux_isochempot_Noutput(instance)
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select case(vacancyflux_isochempot_outputID(o,instance))
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case (vacancyconc_ID)
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vacancyflux_isochempot_postResults(c+1_pInt) = vacancyConc(homog)%p(offset)
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c = c + 1
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end select
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enddo
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end function vacancyflux_isochempot_postResults
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end module vacancyflux_isochempot
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