223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity
DAMASK_EICMD/code/kinematics_vacancy_strain.f90

268 lines
12 KiB
Fortran
Raw Normal View History

major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
!--------------------------------------------------------------------------------------------------
! $Id$
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incorporating kinematics resulting from vacancy point defects
!> @details to be done
!--------------------------------------------------------------------------------------------------
module kinematics_vacancy_strain
use prec, only: &
pReal, &
pInt
implicit none
private
integer(pInt), dimension(:), allocatable, public, protected :: &
kinematics_vacancy_strain_sizePostResults, & !< cumulative size of post results
kinematics_vacancy_strain_offset, & !< which kinematics is my current damage mechanism?
kinematics_vacancy_strain_instance !< instance of damage kinematics mechanism
integer(pInt), dimension(:,:), allocatable, target, public :: &
kinematics_vacancy_strain_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: &
kinematics_vacancy_strain_output !< name of each post result output
integer(pInt), dimension(:), allocatable, target, public :: &
kinematics_vacancy_strain_Noutput !< number of outputs per instance of this damage
real(pReal), dimension(:), allocatable, private :: &
kinematics_vacancy_strain_coeff
public :: &
kinematics_vacancy_strain_init, &
initialise Fi correctly for initial field values away from equilibrium
2015-07-24 20:17:18 +05:30
kinematics_vacancy_strain_initialStrain, &
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
kinematics_vacancy_strain_LiAndItsTangent, &
kinematics_vacancy_strain_ChemPotAndItsTangent
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine kinematics_vacancy_strain_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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 material, only: &
phase_kinematics, &
phase_Nkinematics, &
phase_Noutput, &
KINEMATICS_vacancy_strain_label, &
KINEMATICS_vacancy_strain_ID, &
material_Nphase, &
MATERIAL_partPhase
use numerics,only: &
worldrank
implicit none
integer(pInt), intent(in) :: fileUnit
integer(pInt), parameter :: MAXNCHUNKS = 7_pInt
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
integer(pInt) :: maxNinstance,phase,instance,kinematics
character(len=65536) :: &
tag = '', &
line = ''
mainProcess: if (worldrank == 0) then
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_vacancy_strain_LABEL//' init -+>>>'
write(6,'(a)') ' $Id$'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
endif mainProcess
maxNinstance = int(count(phase_kinematics == KINEMATICS_vacancy_strain_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(kinematics_vacancy_strain_offset(material_Nphase), source=0_pInt)
allocate(kinematics_vacancy_strain_instance(material_Nphase), source=0_pInt)
do phase = 1, material_Nphase
kinematics_vacancy_strain_instance(phase) = count(phase_kinematics(:,1:phase) == kinematics_vacancy_strain_ID)
do kinematics = 1, phase_Nkinematics(phase)
if (phase_kinematics(kinematics,phase) == kinematics_vacancy_strain_ID) &
kinematics_vacancy_strain_offset(phase) = kinematics
enddo
enddo
allocate(kinematics_vacancy_strain_sizePostResults(maxNinstance), source=0_pInt)
allocate(kinematics_vacancy_strain_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt)
allocate(kinematics_vacancy_strain_output(maxval(phase_Noutput),maxNinstance))
kinematics_vacancy_strain_output = ''
allocate(kinematics_vacancy_strain_Noutput(maxNinstance), source=0_pInt)
allocate(kinematics_vacancy_strain_coeff(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 <phase>
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_kinematics(:,phase) == KINEMATICS_vacancy_strain_ID)) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
instance = kinematics_vacancy_strain_instance(phase) ! which instance of my damage is present phase
positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag)
case ('vacancy_strain_coeff')
kinematics_vacancy_strain_coeff(instance) = IO_floatValue(line,positions,2_pInt)
end select
endif; endif
enddo parsingFile
end subroutine kinematics_vacancy_strain_init
initialise Fi correctly for initial field values away from equilibrium
2015-07-24 20:17:18 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief report initial vacancy strain based on current vacancy conc deviation from equillibrium
!--------------------------------------------------------------------------------------------------
pure function kinematics_vacancy_strain_initialStrain(ipc, ip, el)
use math, only: &
math_I3
use material, only: &
material_phase, &
material_homog, &
vacancyConc, &
vacancyfluxMapping
use lattice, only: &
lattice_equilibriumVacancyConcentration
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
kinematics_vacancy_strain_initialStrain !< initial thermal strain (should be small strain, though)
integer(pInt) :: &
phase, &
homog, offset, instance
phase = material_phase(ipc,ip,el)
instance = kinematics_vacancy_strain_instance(phase)
homog = material_homog(ip,el)
offset = vacancyfluxMapping(homog)%p(ip,el)
kinematics_vacancy_strain_initialStrain = &
(vacancyConc(homog)%p(offset) - lattice_equilibriumVacancyConcentration(phase)) * &
kinematics_vacancy_strain_coeff(instance)* math_I3
end function kinematics_vacancy_strain_initialStrain
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
subroutine kinematics_vacancy_strain_LiAndItsTangent(Li, dLi_dTstar3333, ipc, ip, el)
use material, only: &
material_phase, &
material_homog, &
finite strain correction for respective expansions
2015-08-05 19:42:54 +05:30
vacancyConc, &
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
vacancyConcRate, &
vacancyfluxMapping
use math, only: &
math_I3
finite strain correction for respective expansions
2015-08-05 19:42:54 +05:30
use lattice, only: &
lattice_equilibriumVacancyConcentration
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(out), dimension(3,3) :: &
Li !< thermal velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dTstar3333 !< derivative of Li with respect to Tstar (4th-order tensor)
integer(pInt) :: &
phase, &
instance, &
homog, offset
finite strain correction for respective expansions
2015-08-05 19:42:54 +05:30
real(pReal) :: &
Cv, CvEq, CvDot
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
phase = material_phase(ipc,ip,el)
instance = kinematics_vacancy_strain_instance(phase)
homog = material_homog(ip,el)
offset = vacancyfluxMapping(homog)%p(ip,el)
finite strain correction for respective expansions
2015-08-05 19:42:54 +05:30
Cv = vacancyConc(homog)%p(offset)
CvDot = vacancyConcRate(homog)%p(offset)
CvEq = lattice_equilibriumvacancyConcentration(phase)
Li = CvDot*math_I3* &
kinematics_vacancy_strain_coeff(instance)/ &
(1.0_pReal + kinematics_vacancy_strain_coeff(instance)*(Cv - CvEq))
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
dLi_dTstar3333 = 0.0_pReal
end subroutine kinematics_vacancy_strain_LiAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief contains the kinematic contribution to vacancy chemical potential
!--------------------------------------------------------------------------------------------------
subroutine kinematics_vacancy_strain_ChemPotAndItsTangent(ChemPot, dChemPot_dCv, Tstar_v, Fi0, Fi, ipc, ip, el)
use material, only: &
material_phase
use math, only: &
math_inv33, &
math_mul33x33, &
math_Mandel6to33, &
math_transpose33
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(in), dimension(6) :: &
Tstar_v
real(pReal), intent(in), dimension(3,3) :: &
Fi0, Fi
real(pReal), intent(out) :: &
ChemPot, dChemPot_dCv
integer(pInt) :: &
phase, &
instance
phase = material_phase(ipc,ip,el)
instance = kinematics_vacancy_strain_instance(phase)
ChemPot = -kinematics_vacancy_strain_coeff(instance)* &
sum(math_mul33x33(Fi,math_Mandel6to33(Tstar_v))* &
math_mul33x33(math_mul33x33(Fi,math_inv33(Fi0)),Fi))
dChemPot_dCv = 0.0_pReal
end subroutine kinematics_vacancy_strain_ChemPotAndItsTangent
end module kinematics_vacancy_strain