!-------------------------------------------------------------------------------------------------- !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @brief material subroutine for vacancy generation due to thermal fluctuations !> @details to be done !-------------------------------------------------------------------------------------------------- module source_vacancy_thermalfluc use prec, only: & pReal, & pInt implicit none private integer(pInt), dimension(:), allocatable, public, protected :: & source_vacancy_thermalfluc_sizePostResults, & !< cumulative size of post results source_vacancy_thermalfluc_offset, & !< which source is my current damage mechanism? source_vacancy_thermalfluc_instance !< instance of damage source mechanism integer(pInt), dimension(:,:), allocatable, target, public :: & source_vacancy_thermalfluc_sizePostResult !< size of each post result output character(len=64), dimension(:,:), allocatable, target, public :: & source_vacancy_thermalfluc_output !< name of each post result output integer(pInt), dimension(:), allocatable, target, public :: & source_vacancy_thermalfluc_Noutput !< number of outputs per instance of this damage real(pReal), dimension(:), allocatable, private :: & source_vacancy_thermalfluc_amplitude, & source_vacancy_thermalfluc_normVacancyEnergy public :: & source_vacancy_thermalfluc_init, & source_vacancy_thermalfluc_deltaState, & source_vacancy_thermalfluc_getRateAndItsTangent contains !-------------------------------------------------------------------------------------------------- !> @brief module initialization !> @details reads in material parameters, allocates arrays, and does sanity checks !-------------------------------------------------------------------------------------------------- subroutine source_vacancy_thermalfluc_init(fileUnit) #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 use, intrinsic :: iso_fortran_env, only: & compiler_version, & compiler_options #endif use debug, only: & debug_level,& debug_constitutive,& debug_levelBasic 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 lattice, only: & lattice_vacancyFormationEnergy use material, only: & phase_source, & phase_Nsources, & phase_Noutput, & SOURCE_vacancy_thermalfluc_label, & SOURCE_vacancy_thermalfluc_ID, & material_phase, & sourceState use config_material, only: & material_Nphase, & MATERIAL_partPhase use numerics,only: & numerics_integrator implicit none integer(pInt), intent(in) :: fileUnit integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt) :: maxNinstance,phase,instance,source,sourceOffset integer(pInt) :: sizeState, sizeDotState, sizeDeltaState integer(pInt) :: NofMyPhase character(len=65536) :: & tag = '', & line = '' write(6,'(/,a)') ' <<<+- source_'//SOURCE_vacancy_thermalfluc_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" maxNinstance = int(count(phase_source == SOURCE_vacancy_thermalfluc_ID),pInt) if (maxNinstance == 0_pInt) return if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance allocate(source_vacancy_thermalfluc_offset(material_Nphase), source=0_pInt) allocate(source_vacancy_thermalfluc_instance(material_Nphase), source=0_pInt) do phase = 1, material_Nphase source_vacancy_thermalfluc_instance(phase) = count(phase_source(:,1:phase) == source_vacancy_thermalfluc_ID) do source = 1, phase_Nsources(phase) if (phase_source(source,phase) == source_vacancy_thermalfluc_ID) & source_vacancy_thermalfluc_offset(phase) = source enddo enddo allocate(source_vacancy_thermalfluc_sizePostResults(maxNinstance), source=0_pInt) allocate(source_vacancy_thermalfluc_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) allocate(source_vacancy_thermalfluc_output(maxval(phase_Noutput),maxNinstance)) source_vacancy_thermalfluc_output = '' allocate(source_vacancy_thermalfluc_Noutput(maxNinstance), source=0_pInt) allocate(source_vacancy_thermalfluc_amplitude(maxNinstance), source=0.0_pReal) allocate(source_vacancy_thermalfluc_normVacancyEnergy(maxNinstance), source=0.0_pReal) rewind(fileUnit) phase = 0_pInt do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to line = IO_read(fileUnit) enddo parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase 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 phase section phase = phase + 1_pInt ! advance phase section counter cycle ! skip to next line endif if (phase > 0_pInt ) then; if (any(phase_source(:,phase) == SOURCE_vacancy_thermalfluc_ID)) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran instance = source_vacancy_thermalfluc_instance(phase) ! which instance of my vacancy is present phase chunkPos = IO_stringPos(line) tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key select case(tag) case ('thermalfluctuation_amplitude') source_vacancy_thermalfluc_amplitude(instance) = IO_floatValue(line,chunkPos,2_pInt) end select endif; endif enddo parsingFile initializeInstances: do phase = 1_pInt, material_Nphase if (any(phase_source(:,phase) == SOURCE_vacancy_thermalfluc_ID)) then NofMyPhase=count(material_phase==phase) instance = source_vacancy_thermalfluc_instance(phase) source_vacancy_thermalfluc_normVacancyEnergy(instance) = & lattice_vacancyFormationEnergy(phase)/1.3806488e-23_pReal sourceOffset = source_vacancy_thermalfluc_offset(phase) sizeDotState = 1_pInt sizeDeltaState = 1_pInt sizeState = 1_pInt sourceState(phase)%p(sourceOffset)%sizeState = sizeState sourceState(phase)%p(sourceOffset)%sizeDotState = sizeDotState sourceState(phase)%p(sourceOffset)%sizeDeltaState = sizeDeltaState sourceState(phase)%p(sourceOffset)%sizePostResults = source_vacancy_thermalfluc_sizePostResults(instance) allocate(sourceState(phase)%p(sourceOffset)%aTolState (sizeState), source=0.1_pReal) allocate(sourceState(phase)%p(sourceOffset)%state0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(sourceOffset)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(sourceOffset)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(sourceOffset)%state (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(sourceOffset)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(sourceOffset)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) if (any(numerics_integrator == 1_pInt)) then allocate(sourceState(phase)%p(sourceOffset)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(sourceOffset)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) endif if (any(numerics_integrator == 4_pInt)) & allocate(sourceState(phase)%p(sourceOffset)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) if (any(numerics_integrator == 5_pInt)) & allocate(sourceState(phase)%p(sourceOffset)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) endif enddo initializeInstances end subroutine source_vacancy_thermalfluc_init !-------------------------------------------------------------------------------------------------- !> @brief calculates derived quantities from state !-------------------------------------------------------------------------------------------------- subroutine source_vacancy_thermalfluc_deltaState(ipc, ip, el) use material, only: & phaseAt, phasememberAt, & sourceState implicit none integer(pInt), intent(in) :: & ipc, & !< component-ID of integration point ip, & !< integration point el !< element integer(pInt) :: & phase, constituent, sourceOffset real(pReal) :: & randNo phase = phaseAt(ipc,ip,el) constituent = phasememberAt(ipc,ip,el) sourceOffset = source_vacancy_thermalfluc_offset(phase) call random_number(randNo) sourceState(phase)%p(sourceOffset)%deltaState(1,constituent) = & randNo - 0.5_pReal - sourceState(phase)%p(sourceOffset)%state(1,constituent) end subroutine source_vacancy_thermalfluc_deltaState !-------------------------------------------------------------------------------------------------- !> @brief returns local vacancy generation rate !-------------------------------------------------------------------------------------------------- subroutine source_vacancy_thermalfluc_getRateAndItsTangent(CvDot, dCvDot_dCv, ipc, ip, el) use material, only: & phaseAt, phasememberAt, & material_homog, & temperature, & thermalMapping, & sourceState implicit none integer(pInt), intent(in) :: & ipc, & !< grain number ip, & !< integration point number el !< element number real(pReal), intent(out) :: & CvDot, dCvDot_dCv integer(pInt) :: & instance, phase, constituent, sourceOffset phase = phaseAt(ipc,ip,el) constituent = phasememberAt(ipc,ip,el) instance = source_vacancy_thermalfluc_instance(phase) sourceOffset = source_vacancy_thermalfluc_offset(phase) CvDot = source_vacancy_thermalfluc_amplitude(instance)* & sourceState(phase)%p(sourceOffset)%state0(2,constituent)* & exp(-source_vacancy_thermalfluc_normVacancyEnergy(instance)/ & temperature(material_homog(ip,el))%p(thermalMapping(material_homog(ip,el))%p(ip,el))) dCvDot_dCv = 0.0_pReal end subroutine source_vacancy_thermalfluc_getRateAndItsTangent end module source_vacancy_thermalfluc