449 lines
18 KiB
Fortran
449 lines
18 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief material subroutine for phase field modelling of pore nucleation and growth
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!> @details phase field model for pore nucleation and growth based on vacancy clustering
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!--------------------------------------------------------------------------------------------------
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module porosity_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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porosity_phasefield_sizePostResults !< cumulative size of post results
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integer(pInt), dimension(:,:), allocatable, target, public :: &
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porosity_phasefield_sizePostResult !< size of each post result output
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character(len=64), dimension(:,:), allocatable, target, public :: &
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porosity_phasefield_output !< name of each post result output
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integer(pInt), dimension(:), allocatable, target, public :: &
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porosity_phasefield_Noutput !< number of outputs per instance of this porosity
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enum, bind(c)
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enumerator :: undefined_ID, &
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porosity_ID
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end enum
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integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: &
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porosity_phasefield_outputID !< ID of each post result output
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public :: &
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porosity_phasefield_init, &
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porosity_phasefield_getFormationEnergy, &
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porosity_phasefield_getSurfaceEnergy, &
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porosity_phasefield_getSourceAndItsTangent, &
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porosity_phasefield_getDiffusion33, &
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porosity_phasefield_getMobility, &
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porosity_phasefield_putPorosity, &
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porosity_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 porosity_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 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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porosity_type, &
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porosity_typeInstance, &
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homogenization_Noutput, &
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POROSITY_phasefield_label, &
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POROSITY_phasefield_ID, &
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material_homog, &
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mappingHomogenization, &
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porosityState, &
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porosityMapping, &
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porosity, &
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porosity_initialPhi, &
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material_partHomogenization, &
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material_partPhase
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use numerics,only: &
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worldrank
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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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mainProcess: if (worldrank == 0) then
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write(6,'(/,a)') ' <<<+- porosity_'//POROSITY_phasefield_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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endif mainProcess
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maxNinstance = int(count(porosity_type == POROSITY_phasefield_ID),pInt)
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if (maxNinstance == 0_pInt) return
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allocate(porosity_phasefield_sizePostResults(maxNinstance), source=0_pInt)
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allocate(porosity_phasefield_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0_pInt)
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allocate(porosity_phasefield_output (maxval(homogenization_Noutput),maxNinstance))
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porosity_phasefield_output = ''
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allocate(porosity_phasefield_outputID (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID)
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allocate(porosity_phasefield_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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parsingHomog: 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 (porosity_type(section) == POROSITY_phasefield_ID) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
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instance = porosity_typeInstance(section) ! which instance of my porosity 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 ('porosity')
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porosity_phasefield_Noutput(instance) = porosity_phasefield_Noutput(instance) + 1_pInt
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porosity_phasefield_outputID(porosity_phasefield_Noutput(instance),instance) = porosity_ID
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porosity_phasefield_output(porosity_phasefield_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 parsingHomog
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initializeInstances: do section = 1_pInt, size(porosity_type)
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if (porosity_type(section) == POROSITY_phasefield_ID) then
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NofMyHomog=count(material_homog==section)
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instance = porosity_typeInstance(section)
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!--------------------------------------------------------------------------------------------------
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! Determine size of postResults array
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outputsLoop: do o = 1_pInt,porosity_phasefield_Noutput(instance)
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select case(porosity_phasefield_outputID(o,instance))
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case(porosity_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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porosity_phasefield_sizePostResult(o,instance) = mySize
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porosity_phasefield_sizePostResults(instance) = porosity_phasefield_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 = 0_pInt
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porosityState(section)%sizeState = sizeState
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porosityState(section)%sizePostResults = porosity_phasefield_sizePostResults(instance)
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allocate(porosityState(section)%state0 (sizeState,NofMyHomog))
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allocate(porosityState(section)%subState0(sizeState,NofMyHomog))
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allocate(porosityState(section)%state (sizeState,NofMyHomog))
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nullify(porosityMapping(section)%p)
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porosityMapping(section)%p => mappingHomogenization(1,:,:)
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deallocate(porosity(section)%p)
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allocate(porosity(section)%p(NofMyHomog), source=porosity_initialPhi(section))
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endif
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enddo initializeInstances
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end subroutine porosity_phasefield_init
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!--------------------------------------------------------------------------------------------------
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!> @brief returns homogenized vacancy formation energy
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!--------------------------------------------------------------------------------------------------
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function porosity_phasefield_getFormationEnergy(ip,el)
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use lattice, only: &
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lattice_vacancyFormationEnergy, &
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lattice_vacancyVol
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use material, only: &
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homogenization_Ngrains, &
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material_phase
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use mesh, only: &
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mesh_element
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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) :: &
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porosity_phasefield_getFormationEnergy
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integer(pInt) :: &
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grain
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porosity_phasefield_getFormationEnergy = 0.0_pReal
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do grain = 1, homogenization_Ngrains(mesh_element(3,el))
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porosity_phasefield_getFormationEnergy = porosity_phasefield_getFormationEnergy + &
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lattice_vacancyFormationEnergy(material_phase(grain,ip,el))/ &
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lattice_vacancyVol(material_phase(grain,ip,el))
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enddo
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porosity_phasefield_getFormationEnergy = &
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porosity_phasefield_getFormationEnergy/ &
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homogenization_Ngrains(mesh_element(3,el))
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end function porosity_phasefield_getFormationEnergy
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!--------------------------------------------------------------------------------------------------
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!> @brief returns homogenized pore surface energy (normalized by characteristic length)
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!--------------------------------------------------------------------------------------------------
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function porosity_phasefield_getSurfaceEnergy(ip,el)
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use lattice, only: &
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lattice_vacancySurfaceEnergy
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use material, only: &
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homogenization_Ngrains, &
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material_phase
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use mesh, only: &
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mesh_element
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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) :: &
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porosity_phasefield_getSurfaceEnergy
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integer(pInt) :: &
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grain
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porosity_phasefield_getSurfaceEnergy = 0.0_pReal
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do grain = 1, homogenization_Ngrains(mesh_element(3,el))
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porosity_phasefield_getSurfaceEnergy = porosity_phasefield_getSurfaceEnergy + &
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lattice_vacancySurfaceEnergy(material_phase(grain,ip,el))
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enddo
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porosity_phasefield_getSurfaceEnergy = &
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porosity_phasefield_getSurfaceEnergy/ &
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homogenization_Ngrains(mesh_element(3,el))
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end function porosity_phasefield_getSurfaceEnergy
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates homogenized local driving force for pore nucleation and growth
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!--------------------------------------------------------------------------------------------------
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subroutine porosity_phasefield_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el)
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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 material, only: &
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homogenization_Ngrains, &
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material_homog, &
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material_phase, &
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phase_NstiffnessDegradations, &
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phase_stiffnessDegradation, &
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vacancyConc, &
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vacancyfluxMapping, &
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damage, &
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damageMapping, &
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STIFFNESS_DEGRADATION_damage_ID
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use crystallite, only: &
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crystallite_Fe
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use constitutive, only: &
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constitutive_homogenizedC
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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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phi
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integer(pInt) :: &
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phase, &
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grain, &
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homog, &
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mech
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real(pReal) :: &
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phiDot, dPhiDot_dPhi, Cv, W_e, strain(6), C(6,6)
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homog = material_homog(ip,el)
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Cv = vacancyConc(homog)%p(vacancyfluxMapping(homog)%p(ip,el))
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W_e = 0.0_pReal
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do grain = 1, homogenization_Ngrains(homog)
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phase = material_phase(grain,ip,el)
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strain = math_Mandel33to6(math_mul33x33(math_transpose33(crystallite_Fe(1:3,1:3,grain,ip,el)), &
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crystallite_Fe(1:3,1:3,grain,ip,el)) - math_I3)/2.0_pReal
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C = constitutive_homogenizedC(grain,ip,el)
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do mech = 1_pInt, phase_NstiffnessDegradations(phase)
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select case(phase_stiffnessDegradation(mech,phase))
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case (STIFFNESS_DEGRADATION_damage_ID)
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C = damage(homog)%p(damageMapping(homog)%p(ip,el))* &
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damage(homog)%p(damageMapping(homog)%p(ip,el))* &
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C
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end select
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enddo
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W_e = W_e + sum(abs(strain*math_mul66x6(C,strain)))
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enddo
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W_e = W_e/homogenization_Ngrains(homog)
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phiDot = 2.0_pReal*(1.0_pReal - phi)*(1.0_pReal - Cv)*(1.0_pReal - Cv) - &
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2.0_pReal*phi*(W_e + Cv*porosity_phasefield_getFormationEnergy(ip,el))/ &
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porosity_phasefield_getSurfaceEnergy (ip,el)
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dPhiDot_dPhi = - 2.0_pReal*(1.0_pReal - Cv)*(1.0_pReal - Cv) &
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- 2.0_pReal*(W_e + Cv*porosity_phasefield_getFormationEnergy(ip,el))/ &
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porosity_phasefield_getSurfaceEnergy (ip,el)
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end subroutine porosity_phasefield_getSourceAndItsTangent
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!--------------------------------------------------------------------------------------------------
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!> @brief returns homogenized nonlocal diffusion tensor in reference configuration
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!--------------------------------------------------------------------------------------------------
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function porosity_phasefield_getDiffusion33(ip,el)
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use lattice, only: &
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lattice_PorosityDiffusion33
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use material, only: &
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homogenization_Ngrains, &
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material_phase, &
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mappingHomogenization
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use crystallite, only: &
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crystallite_push33ToRef
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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), dimension(3,3) :: &
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porosity_phasefield_getDiffusion33
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integer(pInt) :: &
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homog, &
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grain
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homog = mappingHomogenization(2,ip,el)
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porosity_phasefield_getDiffusion33 = 0.0_pReal
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do grain = 1, homogenization_Ngrains(homog)
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porosity_phasefield_getDiffusion33 = porosity_phasefield_getDiffusion33 + &
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crystallite_push33ToRef(grain,ip,el,lattice_PorosityDiffusion33(1:3,1:3,material_phase(grain,ip,el)))
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enddo
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porosity_phasefield_getDiffusion33 = &
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porosity_phasefield_getDiffusion33/ &
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homogenization_Ngrains(homog)
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end function porosity_phasefield_getDiffusion33
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!--------------------------------------------------------------------------------------------------
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!> @brief Returns homogenized phase field mobility
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!--------------------------------------------------------------------------------------------------
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real(pReal) function porosity_phasefield_getMobility(ip,el)
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use mesh, only: &
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mesh_element
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use lattice, only: &
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lattice_PorosityMobility
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use material, only: &
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material_phase, &
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homogenization_Ngrains
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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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integer(pInt) :: &
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ipc
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porosity_phasefield_getMobility = 0.0_pReal
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do ipc = 1, homogenization_Ngrains(mesh_element(3,el))
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porosity_phasefield_getMobility = porosity_phasefield_getMobility + lattice_PorosityMobility(material_phase(ipc,ip,el))
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enddo
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porosity_phasefield_getMobility = porosity_phasefield_getMobility/homogenization_Ngrains(mesh_element(3,el))
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end function porosity_phasefield_getMobility
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!--------------------------------------------------------------------------------------------------
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!> @brief updates porosity with solution from phasefield PDE
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!--------------------------------------------------------------------------------------------------
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subroutine porosity_phasefield_putPorosity(phi,ip,el)
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use material, only: &
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material_homog, &
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porosityMapping, &
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porosity
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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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phi
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integer(pInt) :: &
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homog, &
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offset
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homog = material_homog(ip,el)
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offset = porosityMapping(homog)%p(ip,el)
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porosity(homog)%p(offset) = phi
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end subroutine porosity_phasefield_putPorosity
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!--------------------------------------------------------------------------------------------------
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!> @brief return array of porosity results
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!--------------------------------------------------------------------------------------------------
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function porosity_phasefield_postResults(ip,el)
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use material, only: &
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mappingHomogenization, &
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porosity_typeInstance, &
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porosity
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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(porosity_phasefield_sizePostResults(porosity_typeInstance(mappingHomogenization(2,ip,el)))) :: &
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porosity_phasefield_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 = mappingHomogenization(1,ip,el)
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instance = porosity_typeInstance(homog)
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c = 0_pInt
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porosity_phasefield_postResults = 0.0_pReal
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do o = 1_pInt,porosity_phasefield_Noutput(instance)
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select case(porosity_phasefield_outputID(o,instance))
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case (porosity_ID)
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porosity_phasefield_postResults(c+1_pInt) = porosity(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 porosity_phasefield_postResults
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end module porosity_phasefield
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