!-------------------------------------------------------------------------------------------------- !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @brief material subroutine for locally evolving vacancy concentration !> @details to be done !-------------------------------------------------------------------------------------------------- module vacancyflux_isochempot use prec, only: & pReal, & pInt implicit none private integer(pInt), dimension(:), allocatable, public, protected :: & vacancyflux_isochempot_sizePostResults !< cumulative size of post results integer(pInt), dimension(:,:), allocatable, target, public :: & vacancyflux_isochempot_sizePostResult !< size of each post result output character(len=64), dimension(:,:), allocatable, target, public :: & vacancyflux_isochempot_output !< name of each post result output integer(pInt), dimension(:), allocatable, target, public :: & vacancyflux_isochempot_Noutput !< number of outputs per instance of this damage enum, bind(c) enumerator :: undefined_ID, & vacancyconc_ID end enum integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & vacancyflux_isochempot_outputID !< ID of each post result output public :: & vacancyflux_isochempot_init, & vacancyflux_isochempot_updateState, & vacancyflux_isochempot_getSourceAndItsTangent, & vacancyflux_isochempot_postResults contains !-------------------------------------------------------------------------------------------------- !> @brief module initialization !> @details reads in material parameters, allocates arrays, and does sanity checks !-------------------------------------------------------------------------------------------------- subroutine vacancyflux_isochempot_init(fileUnit) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use IO, only: & IO_read, & IO_lc, & IO_getTag, & IO_isBlank, & IO_stringPos, & IO_stringValue, & IO_floatValue, & IO_intValue, & IO_warning, & IO_error, & IO_timeStamp, & IO_EOF use material, only: & vacancyflux_type, & vacancyflux_typeInstance, & homogenization_Noutput, & VACANCYFLUX_isochempot_label, & VACANCYFLUX_isochempot_ID, & material_homog, & mappingHomogenization, & vacancyfluxState, & vacancyfluxMapping, & vacancyConc, & vacancyConcRate, & vacancyflux_initialCv, & material_partHomogenization use numerics,only: & worldrank implicit none integer(pInt), intent(in) :: fileUnit integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt) :: maxNinstance,mySize=0_pInt,section,instance,o integer(pInt) :: sizeState integer(pInt) :: NofMyHomog character(len=65536) :: & tag = '', & line = '' mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- vacancyflux_'//VACANCYFLUX_isochempot_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" endif mainProcess maxNinstance = int(count(vacancyflux_type == VACANCYFLUX_isochempot_ID),pInt) if (maxNinstance == 0_pInt) return allocate(vacancyflux_isochempot_sizePostResults(maxNinstance), source=0_pInt) allocate(vacancyflux_isochempot_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0_pInt) allocate(vacancyflux_isochempot_output (maxval(homogenization_Noutput),maxNinstance)) vacancyflux_isochempot_output = '' allocate(vacancyflux_isochempot_outputID (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID) allocate(vacancyflux_isochempot_Noutput (maxNinstance), source=0_pInt) rewind(fileUnit) section = 0_pInt do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization)! wind forward to line = IO_read(fileUnit) enddo parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of homog part line = IO_read(fileUnit) if (IO_isBlank(line)) cycle ! skip empty lines if (IO_getTag(line,'<','>') /= '') then ! stop at next part line = IO_read(fileUnit, .true.) ! reset IO_read exit endif if (IO_getTag(line,'[',']') /= '') then ! next homog section section = section + 1_pInt ! advance homog section counter cycle ! skip to next line endif 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 instance = vacancyflux_typeInstance(section) ! which instance of my vacancyflux is present homog chunkPos = IO_stringPos(line) tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key select case(tag) case ('(output)') select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt))) case ('vacancyconc') vacancyflux_isochempot_Noutput(instance) = vacancyflux_isochempot_Noutput(instance) + 1_pInt vacancyflux_isochempot_outputID(vacancyflux_isochempot_Noutput(instance),instance) = vacancyconc_ID vacancyflux_isochempot_output(vacancyflux_isochempot_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,chunkPos,2_pInt)) end select end select endif; endif enddo parsingFile initializeInstances: do section = 1_pInt, size(vacancyflux_type) if (vacancyflux_type(section) == VACANCYFLUX_isochempot_ID) then NofMyHomog=count(material_homog==section) instance = vacancyflux_typeInstance(section) !-------------------------------------------------------------------------------------------------- ! Determine size of postResults array outputsLoop: do o = 1_pInt,vacancyflux_isochempot_Noutput(instance) select case(vacancyflux_isochempot_outputID(o,instance)) case(vacancyconc_ID) mySize = 1_pInt end select if (mySize > 0_pInt) then ! any meaningful output found vacancyflux_isochempot_sizePostResult(o,instance) = mySize vacancyflux_isochempot_sizePostResults(instance) = vacancyflux_isochempot_sizePostResults(instance) + mySize endif enddo outputsLoop ! allocate state arrays sizeState = 1_pInt vacancyfluxState(section)%sizeState = sizeState vacancyfluxState(section)%sizePostResults = vacancyflux_isochempot_sizePostResults(instance) allocate(vacancyfluxState(section)%state0 (sizeState,NofMyHomog), source=vacancyflux_initialCv(section)) allocate(vacancyfluxState(section)%subState0(sizeState,NofMyHomog), source=vacancyflux_initialCv(section)) allocate(vacancyfluxState(section)%state (sizeState,NofMyHomog), source=vacancyflux_initialCv(section)) nullify(vacancyfluxMapping(section)%p) vacancyfluxMapping(section)%p => mappingHomogenization(1,:,:) deallocate(vacancyConc(section)%p) vacancyConc(section)%p => vacancyfluxState(section)%state(1,:) deallocate(vacancyConcRate(section)%p) allocate(vacancyConcRate(section)%p(NofMyHomog), source=0.0_pReal) endif enddo initializeInstances end subroutine vacancyflux_isochempot_init !-------------------------------------------------------------------------------------------------- !> @brief calculates change in vacancy concentration based on local vacancy generation model !-------------------------------------------------------------------------------------------------- function vacancyflux_isochempot_updateState(subdt, ip, el) use numerics, only: & err_vacancyflux_tolAbs, & err_vacancyflux_tolRel use material, only: & mappingHomogenization, & vacancyflux_typeInstance, & vacancyfluxState, & vacancyConc, & vacancyConcRate, & vacancyfluxMapping implicit none integer(pInt), intent(in) :: & ip, & !< integration point number el !< element number real(pReal), intent(in) :: & subdt logical, dimension(2) :: & vacancyflux_isochempot_updateState integer(pInt) :: & homog, & offset, & instance real(pReal) :: & Cv, Cvdot, dCvDot_dCv homog = mappingHomogenization(2,ip,el) offset = mappingHomogenization(1,ip,el) instance = vacancyflux_typeInstance(homog) Cv = vacancyfluxState(homog)%subState0(1,offset) call vacancyflux_isochempot_getSourceAndItsTangent(CvDot, dCvDot_dCv, Cv, ip, el) Cv = Cv + subdt*Cvdot vacancyflux_isochempot_updateState = [ abs(Cv - vacancyfluxState(homog)%state(1,offset)) & <= err_vacancyflux_tolAbs & .or. abs(Cv - vacancyfluxState(homog)%state(1,offset)) & <= err_vacancyflux_tolRel*abs(vacancyfluxState(homog)%state(1,offset)), & .true.] vacancyConc (homog)%p(vacancyfluxMapping(homog)%p(ip,el)) = Cv vacancyConcRate(homog)%p(vacancyfluxMapping(homog)%p(ip,el)) = & (vacancyfluxState(homog)%state(1,offset) - vacancyfluxState(homog)%subState0(1,offset))/(subdt+tiny(0.0_pReal)) end function vacancyflux_isochempot_updateState !-------------------------------------------------------------------------------------------------- !> @brief calculates homogenized vacancy driving forces !-------------------------------------------------------------------------------------------------- subroutine vacancyflux_isochempot_getSourceAndItsTangent(CvDot, dCvDot_dCv, Cv, ip, el) use material, only: & homogenization_Ngrains, & mappingHomogenization, & phaseAt, & phase_source, & phase_Nsources, & SOURCE_vacancy_phenoplasticity_ID, & SOURCE_vacancy_irradiation_ID, & SOURCE_vacancy_thermalfluc_ID use source_vacancy_phenoplasticity, only: & source_vacancy_phenoplasticity_getRateAndItsTangent use source_vacancy_irradiation, only: & source_vacancy_irradiation_getRateAndItsTangent use source_vacancy_thermalfluc, only: & source_vacancy_thermalfluc_getRateAndItsTangent implicit none integer(pInt), intent(in) :: & ip, & !< integration point number el !< element number real(pReal), intent(in) :: & Cv integer(pInt) :: & phase, & grain, & source real(pReal) :: & CvDot, dCvDot_dCv, localCvDot, dLocalCvDot_dCv CvDot = 0.0_pReal dCvDot_dCv = 0.0_pReal do grain = 1, homogenization_Ngrains(mappingHomogenization(2,ip,el)) phase = phaseAt(grain,ip,el) do source = 1_pInt, phase_Nsources(phase) select case(phase_source(source,phase)) case (SOURCE_vacancy_phenoplasticity_ID) call source_vacancy_phenoplasticity_getRateAndItsTangent (localCvDot, dLocalCvDot_dCv, grain, ip, el) case (SOURCE_vacancy_irradiation_ID) call source_vacancy_irradiation_getRateAndItsTangent (localCvDot, dLocalCvDot_dCv, grain, ip, el) case (SOURCE_vacancy_thermalfluc_ID) call source_vacancy_thermalfluc_getRateAndItsTangent(localCvDot, dLocalCvDot_dCv, grain, ip, el) end select CvDot = CvDot + localCvDot dCvDot_dCv = dCvDot_dCv + dLocalCvDot_dCv enddo enddo CvDot = CvDot/real(homogenization_Ngrains(mappingHomogenization(2,ip,el)),pReal) dCvDot_dCv = dCvDot_dCv/real(homogenization_Ngrains(mappingHomogenization(2,ip,el)),pReal) end subroutine vacancyflux_isochempot_getSourceAndItsTangent !-------------------------------------------------------------------------------------------------- !> @brief return array of vacancy transport results !-------------------------------------------------------------------------------------------------- function vacancyflux_isochempot_postResults(ip,el) use material, only: & mappingHomogenization, & vacancyflux_typeInstance, & vacancyConc, & vacancyfluxMapping implicit none integer(pInt), intent(in) :: & ip, & !< integration point el !< element real(pReal), dimension(vacancyflux_isochempot_sizePostResults(vacancyflux_typeInstance(mappingHomogenization(2,ip,el)))) :: & vacancyflux_isochempot_postResults integer(pInt) :: & instance, homog, offset, o, c homog = mappingHomogenization(2,ip,el) offset = vacancyfluxMapping(homog)%p(ip,el) instance = vacancyflux_typeInstance(homog) c = 0_pInt vacancyflux_isochempot_postResults = 0.0_pReal do o = 1_pInt,vacancyflux_isochempot_Noutput(instance) select case(vacancyflux_isochempot_outputID(o,instance)) case (vacancyconc_ID) vacancyflux_isochempot_postResults(c+1_pInt) = vacancyConc(homog)%p(offset) c = c + 1 end select enddo end function vacancyflux_isochempot_postResults end module vacancyflux_isochempot