250 lines
12 KiB
Fortran
250 lines
12 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief material subroutine for vacancy generation due to thermal fluctuations
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!> @details to be done
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!--------------------------------------------------------------------------------------------------
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module source_vacancy_thermalfluc
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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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source_vacancy_thermalfluc_sizePostResults, & !< cumulative size of post results
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source_vacancy_thermalfluc_offset, & !< which source is my current damage mechanism?
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source_vacancy_thermalfluc_instance !< instance of damage source mechanism
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integer(pInt), dimension(:,:), allocatable, target, public :: &
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source_vacancy_thermalfluc_sizePostResult !< size of each post result output
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character(len=64), dimension(:,:), allocatable, target, public :: &
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source_vacancy_thermalfluc_output !< name of each post result output
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integer(pInt), dimension(:), allocatable, target, public :: &
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source_vacancy_thermalfluc_Noutput !< number of outputs per instance of this damage
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real(pReal), dimension(:), allocatable, private :: &
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source_vacancy_thermalfluc_amplitude, &
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source_vacancy_thermalfluc_normVacancyEnergy
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public :: &
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source_vacancy_thermalfluc_init, &
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source_vacancy_thermalfluc_deltaState, &
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source_vacancy_thermalfluc_getRateAndItsTangent
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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 source_vacancy_thermalfluc_init(fileUnit)
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#ifdef __GFORTRAN__
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use, intrinsic :: iso_fortran_env, only: &
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compiler_version, &
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compiler_options
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#endif
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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 lattice, only: &
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lattice_vacancyFormationEnergy
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use material, only: &
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phase_source, &
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phase_Nsources, &
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phase_Noutput, &
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SOURCE_vacancy_thermalfluc_label, &
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SOURCE_vacancy_thermalfluc_ID, &
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material_Nphase, &
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material_phase, &
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sourceState, &
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MATERIAL_partPhase
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use numerics,only: &
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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), allocatable, dimension(:) :: chunkPos
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integer(pInt) :: maxNinstance,phase,instance,source,sourceOffset
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integer(pInt) :: sizeState, sizeDotState, sizeDeltaState
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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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write(6,'(/,a)') ' <<<+- source_'//SOURCE_vacancy_thermalfluc_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(phase_source == SOURCE_vacancy_thermalfluc_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(source_vacancy_thermalfluc_offset(material_Nphase), source=0_pInt)
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allocate(source_vacancy_thermalfluc_instance(material_Nphase), source=0_pInt)
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do phase = 1, material_Nphase
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source_vacancy_thermalfluc_instance(phase) = count(phase_source(:,1:phase) == source_vacancy_thermalfluc_ID)
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do source = 1, phase_Nsources(phase)
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if (phase_source(source,phase) == source_vacancy_thermalfluc_ID) &
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source_vacancy_thermalfluc_offset(phase) = source
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enddo
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enddo
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allocate(source_vacancy_thermalfluc_sizePostResults(maxNinstance), source=0_pInt)
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allocate(source_vacancy_thermalfluc_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt)
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allocate(source_vacancy_thermalfluc_output(maxval(phase_Noutput),maxNinstance))
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source_vacancy_thermalfluc_output = ''
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allocate(source_vacancy_thermalfluc_Noutput(maxNinstance), source=0_pInt)
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allocate(source_vacancy_thermalfluc_amplitude(maxNinstance), source=0.0_pReal)
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allocate(source_vacancy_thermalfluc_normVacancyEnergy(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 (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
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instance = source_vacancy_thermalfluc_instance(phase) ! which instance of my vacancy is present phase
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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 ('thermalfluctuation_amplitude')
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source_vacancy_thermalfluc_amplitude(instance) = IO_floatValue(line,chunkPos,2_pInt)
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end select
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endif; endif
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enddo parsingFile
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initializeInstances: do phase = 1_pInt, material_Nphase
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if (any(phase_source(:,phase) == SOURCE_vacancy_thermalfluc_ID)) then
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NofMyPhase=count(material_phase==phase)
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instance = source_vacancy_thermalfluc_instance(phase)
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source_vacancy_thermalfluc_normVacancyEnergy(instance) = &
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lattice_vacancyFormationEnergy(phase)/1.3806488e-23_pReal
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sourceOffset = source_vacancy_thermalfluc_offset(phase)
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sizeDotState = 1_pInt
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sizeDeltaState = 1_pInt
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sizeState = 1_pInt
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sourceState(phase)%p(sourceOffset)%sizeState = sizeState
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sourceState(phase)%p(sourceOffset)%sizeDotState = sizeDotState
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sourceState(phase)%p(sourceOffset)%sizeDeltaState = sizeDeltaState
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sourceState(phase)%p(sourceOffset)%sizePostResults = source_vacancy_thermalfluc_sizePostResults(instance)
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allocate(sourceState(phase)%p(sourceOffset)%aTolState (sizeState), source=0.1_pReal)
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allocate(sourceState(phase)%p(sourceOffset)%state0 (sizeState,NofMyPhase), source=0.0_pReal)
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allocate(sourceState(phase)%p(sourceOffset)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal)
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allocate(sourceState(phase)%p(sourceOffset)%subState0 (sizeState,NofMyPhase), source=0.0_pReal)
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allocate(sourceState(phase)%p(sourceOffset)%state (sizeState,NofMyPhase), source=0.0_pReal)
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allocate(sourceState(phase)%p(sourceOffset)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
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allocate(sourceState(phase)%p(sourceOffset)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal)
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if (any(numerics_integrator == 1_pInt)) then
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allocate(sourceState(phase)%p(sourceOffset)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal)
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allocate(sourceState(phase)%p(sourceOffset)%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(sourceState(phase)%p(sourceOffset)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
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if (any(numerics_integrator == 5_pInt)) &
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allocate(sourceState(phase)%p(sourceOffset)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal)
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endif
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enddo initializeInstances
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end subroutine source_vacancy_thermalfluc_init
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates derived quantities from state
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!--------------------------------------------------------------------------------------------------
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subroutine source_vacancy_thermalfluc_deltaState(ipc, ip, el)
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use material, only: &
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phaseAt, phasememberAt, &
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sourceState
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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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integer(pInt) :: &
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phase, constituent, sourceOffset
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real(pReal) :: &
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randNo
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phase = phaseAt(ipc,ip,el)
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constituent = phasememberAt(ipc,ip,el)
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sourceOffset = source_vacancy_thermalfluc_offset(phase)
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call random_number(randNo)
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sourceState(phase)%p(sourceOffset)%deltaState(1,constituent) = &
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randNo - 0.5_pReal - sourceState(phase)%p(sourceOffset)%state(1,constituent)
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end subroutine source_vacancy_thermalfluc_deltaState
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!--------------------------------------------------------------------------------------------------
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!> @brief returns local vacancy generation rate
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!--------------------------------------------------------------------------------------------------
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subroutine source_vacancy_thermalfluc_getRateAndItsTangent(CvDot, dCvDot_dCv, ipc, ip, el)
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use material, only: &
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phaseAt, phasememberAt, &
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material_homog, &
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temperature, &
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thermalMapping, &
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sourceState
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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(out) :: &
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CvDot, dCvDot_dCv
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integer(pInt) :: &
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instance, phase, constituent, sourceOffset
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phase = phaseAt(ipc,ip,el)
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constituent = phasememberAt(ipc,ip,el)
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instance = source_vacancy_thermalfluc_instance(phase)
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sourceOffset = source_vacancy_thermalfluc_offset(phase)
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CvDot = source_vacancy_thermalfluc_amplitude(instance)* &
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sourceState(phase)%p(sourceOffset)%state0(2,constituent)* &
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exp(-source_vacancy_thermalfluc_normVacancyEnergy(instance)/ &
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temperature(material_homog(ip,el))%p(thermalMapping(material_homog(ip,el))%p(ip,el)))
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dCvDot_dCv = 0.0_pReal
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end subroutine source_vacancy_thermalfluc_getRateAndItsTangent
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end module source_vacancy_thermalfluc
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