331 lines
14 KiB
Fortran
331 lines
14 KiB
Fortran
!--------------------------------------------------------------------------------------------------
|
|
! $Id$
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @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,'(a)') ' $Id$'
|
|
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 <homogenization>
|
|
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, &
|
|
mappingConstitutive, &
|
|
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 = mappingConstitutive(2,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/homogenization_Ngrains(mappingHomogenization(2,ip,el))
|
|
dCvDot_dCv = dCvDot_dCv/homogenization_Ngrains(mappingHomogenization(2,ip,el))
|
|
|
|
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
|