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DAMASK_EICMD
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added brittle(elastic energy release rate)/ductile(vacancy condensation) phase field damage model coupled to vacancy concentration 

simplified vacancy_generation
This commit is contained in:
Pratheek Shanthraj 2014-11-25 17:23:37 +00:00
parent 65b22f9a40
commit 20437b2ae0
5 changed files with 735 additions and 170 deletions
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5
code/Makefile
View File

@ -326,7 +326,7 @@ COMPILE =$(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATI
COMPILE_MAXOPTI =$(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) $(INCLUDE_DIRS) $(PRECISION_$(F90))
###################################################################################################
DAMAGE_FILES = \
damage_none.o damage_isoBrittle.o damage_isoDuctile.o damage_gurson.o damage_anisoBrittle.o damage_anisoDuctile.o
damage_none.o damage_isoBrittle.o damage_isoDuctile.o damage_gurson.o damage_anisoBrittle.o damage_anisoDuctile.o damage_phaseField.o
THERMAL_FILES = \
thermal_isothermal.o thermal_adiabatic.o
@ -496,6 +496,9 @@ damage_anisoBrittle.o: damage_anisoBrittle.f90 \
damage_anisoDuctile.o: damage_anisoDuctile.f90 \
lattice.o
damage_phaseField.o: damage_phaseField.f90 \
lattice.o
damage_gurson.o: damage_gurson.f90 \
lattice.o

138
code/constitutive.f90
View File

@ -47,6 +47,7 @@ module constitutive
constitutive_putLocalVacancyConcentration, &
constitutive_getVacancyConcentration, &
constitutive_getVacancyDiffusion33, &
constitutive_getVacancyMobility33, &
constitutive_postResults
private :: &
@ -131,6 +132,7 @@ subroutine constitutive_init(temperature_init)
LOCAL_DAMAGE_anisoBrittle_ID, &
LOCAL_DAMAGE_anisoDuctile_ID, &
LOCAL_DAMAGE_gurson_ID, &
LOCAL_DAMAGE_phaseField_ID, &
LOCAL_THERMAL_isothermal_ID, &
LOCAL_THERMAL_adiabatic_ID, &
LOCAL_VACANCY_constant_ID, &
@ -141,6 +143,7 @@ subroutine constitutive_init(temperature_init)
LOCAL_DAMAGE_anisoBrittle_LABEL, &
LOCAL_DAMAGE_anisoDuctile_LABEL, &
LOCAL_DAMAGE_gurson_LABEL, &
LOCAL_DAMAGE_phaseField_label, &
LOCAL_THERMAL_isothermal_label, &
LOCAL_THERMAL_adiabatic_label, &
LOCAL_VACANCY_constant_label, &
@ -165,6 +168,7 @@ subroutine constitutive_init(temperature_init)
use damage_anisoDuctile
use damage_anisoBrittle
use damage_gurson
use damage_phaseField
use thermal_isothermal
use thermal_adiabatic
use vacancy_constant
@ -211,6 +215,7 @@ subroutine constitutive_init(temperature_init)
if (any(phase_damage == LOCAL_DAMAGE_anisoBrittle_ID)) call damage_anisoBrittle_init(FILEUNIT)
if (any(phase_damage == LOCAL_DAMAGE_anisoductile_ID)) call damage_anisoDuctile_init(FILEUNIT)
if (any(phase_damage == LOCAL_DAMAGE_gurson_ID)) call damage_gurson_init(FILEUNIT)
if (any(phase_damage == LOCAL_DAMAGE_phaseField_ID)) call damage_phaseField_init(FILEUNIT)
close(FILEUNIT)
!--------------------------------------------------------------------------------------------------
@ -324,6 +329,11 @@ subroutine constitutive_init(temperature_init)
thisNoutput => damage_gurson_Noutput
thisOutput => damage_gurson_output
thisSize => damage_gurson_sizePostResult
case (LOCAL_DAMAGE_phaseField_ID)
outputName = LOCAL_DAMAGE_phaseField_label
thisNoutput => damage_phaseField_Noutput
thisOutput => damage_phaseField_output
thisSize => damage_phaseField_sizePostResult
case default
knownDamage = .false.
end select
@ -509,9 +519,12 @@ function constitutive_damagedC(ipc,ip,el)
use material, only: &
material_phase, &
LOCAL_DAMAGE_isoBrittle_ID, &
LOCAL_DAMAGE_phaseField_ID, &
phase_damage
use damage_isoBrittle, only: &
damage_isoBrittle_getDamagedC66
use damage_phaseField, only: &
damage_phaseField_getDamagedC66
implicit none
real(pReal), dimension(6,6) :: constitutive_damagedC
@ -524,6 +537,9 @@ function constitutive_damagedC(ipc,ip,el)
case (LOCAL_DAMAGE_isoBrittle_ID)
constitutive_damagedC = damage_isoBrittle_getDamagedC66(constitutive_homogenizedC(ipc,ip,el), &
ipc,ip,el)
case (LOCAL_DAMAGE_phaseField_ID)
constitutive_damagedC = damage_phaseField_getDamagedC66(constitutive_homogenizedC(ipc,ip,el), &
ipc,ip,el)
case default
constitutive_damagedC = constitutive_homogenizedC(ipc,ip,el)
@ -547,7 +563,8 @@ subroutine constitutive_microstructure(Tstar_v, Fe, Fp, ipc, ip, el)
PLASTICITY_nonlocal_ID, &
LOCAL_DAMAGE_isoBrittle_ID, &
LOCAL_DAMAGE_isoDuctile_ID, &
LOCAL_DAMAGE_gurson_ID
LOCAL_DAMAGE_gurson_ID, &
LOCAL_DAMAGE_phaseField_ID
use constitutive_titanmod, only: &
constitutive_titanmod_microstructure
@ -559,6 +576,10 @@ subroutine constitutive_microstructure(Tstar_v, Fe, Fp, ipc, ip, el)
constitutive_dislokmc_microstructure
use damage_gurson, only: &
damage_gurson_microstructure
use damage_gurson, only: &
damage_gurson_microstructure
use damage_phaseField, only: &
damage_phaseField_microstructure
implicit none
integer(pInt), intent(in) :: &
@ -587,6 +608,10 @@ subroutine constitutive_microstructure(Tstar_v, Fe, Fp, ipc, ip, el)
select case (phase_damage(material_phase(ipc,ip,el)))
case (LOCAL_DAMAGE_gurson_ID)
call damage_gurson_microstructure(ipc, ip, el)
case (LOCAL_DAMAGE_phaseField_ID)
call damage_phaseField_microstructure(constitutive_homogenizedC(ipc,ip,el), Fe, &
constitutive_getVacancyConcentration(ipc, ip, el), &
ipc, ip, el)
end select
@ -1037,6 +1062,7 @@ subroutine constitutive_collectDotState(Tstar_v, Lp, FeArray, FpArray, subdt, su
LOCAL_DAMAGE_anisoDuctile_ID, &
LOCAL_DAMAGE_anisoBrittle_ID, &
LOCAL_DAMAGE_gurson_ID, &
LOCAL_DAMAGE_phaseField_ID, &
LOCAL_VACANCY_generation_ID
use constitutive_j2, only: &
constitutive_j2_dotState
@ -1060,6 +1086,8 @@ subroutine constitutive_collectDotState(Tstar_v, Lp, FeArray, FpArray, subdt, su
damage_anisoDuctile_dotState
use damage_gurson, only: &
damage_gurson_dotState
use damage_phaseField, only: &
damage_phaseField_dotState
use vacancy_generation, only: &
vacancy_generation_dotState
@ -1121,6 +1149,8 @@ subroutine constitutive_collectDotState(Tstar_v, Lp, FeArray, FpArray, subdt, su
call damage_anisoDuctile_dotState(nSlip, accumulatedSlip, ipc, ip, el)
case (LOCAL_DAMAGE_gurson_ID)
call damage_gurson_dotState(Tstar_v, Lp, ipc, ip, el)
case (LOCAL_DAMAGE_phaseField_ID)
call damage_phaseField_dotState(constitutive_getVacancyConcentration(ipc, ip, el), ipc, ip, el)
end select
select case (phase_vacancy(material_phase(ipc,ip,el)))
@ -1216,6 +1246,7 @@ function constitutive_getLocalDamage(ipc, ip, el)
LOCAL_DAMAGE_anisoBrittle_ID, &
LOCAL_DAMAGE_anisoDuctile_ID, &
LOCAL_DAMAGE_gurson_ID, &
LOCAL_DAMAGE_phaseField_ID, &
phase_damage
use damage_isoBrittle, only: &
damage_isoBrittle_getLocalDamage
@ -1227,6 +1258,8 @@ function constitutive_getLocalDamage(ipc, ip, el)
damage_anisoDuctile_getLocalDamage
use damage_gurson, only: &
damage_gurson_getLocalDamage
use damage_phaseField, only: &
damage_phaseField_getLocalDamage
implicit none
integer(pInt), intent(in) :: &
@ -1248,13 +1281,15 @@ function constitutive_getLocalDamage(ipc, ip, el)
case (LOCAL_DAMAGE_anisoBrittle_ID)
constitutive_getLocalDamage = damage_anisoBrittle_getLocalDamage(ipc, ip, el)
case (LOCAL_DAMAGE_anisoDuctile_ID)
case (LOCAL_DAMAGE_anisoDuctile_ID)
constitutive_getLocalDamage = damage_anisoDuctile_getLocalDamage(ipc, ip, el)
case (LOCAL_DAMAGE_gurson_ID)
constitutive_getLocalDamage = damage_gurson_getLocalDamage(ipc, ip, el)
case (LOCAL_DAMAGE_phaseField_ID)
constitutive_getLocalDamage = damage_phaseField_getLocalDamage(ipc, ip, el)
end select
end function constitutive_getLocalDamage
@ -1272,6 +1307,7 @@ subroutine constitutive_putLocalDamage(ipc, ip, el, localDamage)
LOCAL_DAMAGE_anisoBrittle_ID, &
LOCAL_DAMAGE_anisoDuctile_ID, &
LOCAL_DAMAGE_gurson_ID, &
LOCAL_DAMAGE_phaseField_ID, &
phase_damage
use damage_isoBrittle, only: &
damage_isoBrittle_putLocalDamage
@ -1283,6 +1319,8 @@ subroutine constitutive_putLocalDamage(ipc, ip, el, localDamage)
damage_anisoDuctile_putLocalDamage
use damage_gurson, only: &
damage_gurson_putLocalDamage
use damage_phaseField, only: &
damage_phaseField_putLocalDamage
implicit none
integer(pInt), intent(in) :: &
@ -1308,6 +1346,9 @@ subroutine constitutive_putLocalDamage(ipc, ip, el, localDamage)
case (LOCAL_DAMAGE_gurson_ID)
call damage_gurson_putLocalDamage(ipc, ip, el, localDamage)
case (LOCAL_DAMAGE_phaseField_ID)
call damage_phaseField_putLocalDamage(ipc, ip, el, localDamage)
end select
end subroutine constitutive_putLocalDamage
@ -1326,6 +1367,7 @@ function constitutive_getDamage(ipc, ip, el)
LOCAL_DAMAGE_anisoBrittle_ID, &
LOCAL_DAMAGE_anisoDuctile_ID, &
LOCAL_DAMAGE_gurson_ID, &
LOCAL_DAMAGE_phaseField_ID, &
phase_damage
use damage_isoBrittle, only: &
damage_isoBrittle_getDamage
@ -1337,6 +1379,8 @@ function constitutive_getDamage(ipc, ip, el)
damage_anisoDuctile_getDamage
use damage_gurson, only: &
damage_gurson_getDamage
use damage_phaseField, only: &
damage_phaseField_getDamage
implicit none
integer(pInt), intent(in) :: &
@ -1364,6 +1408,9 @@ function constitutive_getDamage(ipc, ip, el)
case (LOCAL_DAMAGE_gurson_ID)
constitutive_getDamage = damage_gurson_getDamage(ipc, ip, el)
case (LOCAL_DAMAGE_phaseField_ID)
constitutive_getDamage = damage_phaseField_getDamage(ipc, ip, el)
end select
end function constitutive_getDamage
@ -1424,14 +1471,13 @@ function constitutive_getDamageDiffusion33(ipc, ip, el)
lattice_DamageDiffusion33
use material, only: &
material_phase, &
LOCAL_DAMAGE_none_ID, &
phase_damage, &
LOCAL_DAMAGE_isoBrittle_ID, &
LOCAL_DAMAGE_isoDuctile_ID, &
LOCAL_DAMAGE_anisoBrittle_ID, &
LOCAL_DAMAGE_gurson_ID, &
phase_damage
LOCAL_DAMAGE_phaseField_ID
use damage_isoBrittle, only: &
damage_isoBrittle_getDamageDiffusion33
use damage_phaseField, only: &
damage_phaseField_getDamageDiffusion33
implicit none
integer(pInt), intent(in) :: &
@ -1445,6 +1491,8 @@ function constitutive_getDamageDiffusion33(ipc, ip, el)
select case(phase_damage(material_phase(ipc,ip,el)))
case (LOCAL_DAMAGE_isoBrittle_ID)
constitutive_getDamageDiffusion33 = damage_isoBrittle_getDamageDiffusion33(ipc, ip, el)
case (LOCAL_DAMAGE_phaseField_ID)
constitutive_getDamageDiffusion33 = damage_phaseField_getDamageDiffusion33(ipc, ip, el)
end select
@ -1559,7 +1607,7 @@ function constitutive_getLocalVacancyConcentration(ipc, ip, el)
LOCAL_VACANCY_generation_ID, &
phase_vacancy
use vacancy_generation, only: &
vacancy_generation_getConcentration
vacancy_generation_getLocalConcentration
use lattice, only: &
lattice_equilibriumVacancyConcentration
@ -1576,7 +1624,7 @@ function constitutive_getLocalVacancyConcentration(ipc, ip, el)
lattice_equilibriumVacancyConcentration(material_phase(ipc,ip,el))
case (LOCAL_VACANCY_generation_ID)
constitutive_getLocalVacancyConcentration = vacancy_generation_getConcentration(ipc, ip, el)
constitutive_getLocalVacancyConcentration = vacancy_generation_getLocalConcentration(ipc, ip, el)
end select
end function constitutive_getLocalVacancyConcentration
@ -1592,7 +1640,7 @@ subroutine constitutive_putLocalVacancyConcentration(ipc, ip, el, localVacancyCo
LOCAL_VACANCY_generation_ID, &
phase_vacancy
use vacancy_generation, only: &
vacancy_generation_putConcentration
vacancy_generation_putLocalConcentration
implicit none
integer(pInt), intent(in) :: &
@ -1604,7 +1652,7 @@ subroutine constitutive_putLocalVacancyConcentration(ipc, ip, el, localVacancyCo
select case (phase_vacancy(material_phase(ipc,ip,el)))
case (LOCAL_VACANCY_generation_ID)
call vacancy_generation_putConcentration(ipc, ip, el, localVacancyConcentration)
call vacancy_generation_putLocalConcentration(ipc, ip, el, localVacancyConcentration)
end select
@ -1617,13 +1665,12 @@ function constitutive_getVacancyConcentration(ipc, ip, el)
use prec, only: &
pReal
use material, only: &
mappingHomogenization, &
material_phase, &
fieldVacancy, &
field_vacancy_type, &
FIELD_VACANCY_local_ID, &
FIELD_VACANCY_nonlocal_ID, &
material_homog
LOCAL_VACANCY_constant_ID, &
LOCAL_VACANCY_generation_ID, &
phase_vacancy
use vacancy_generation, only: &
vacancy_generation_getConcentration
use lattice, only: &
lattice_equilibriumVacancyConcentration
implicit none
@ -1634,14 +1681,14 @@ function constitutive_getVacancyConcentration(ipc, ip, el)
el !< element number
real(pReal) :: constitutive_getVacancyConcentration
select case(field_vacancy_type(material_homog(ip,el)))
case (FIELD_VACANCY_local_ID)
constitutive_getVacancyConcentration = constitutive_getLocalVacancyConcentration(ipc, ip, el)
case (FIELD_VACANCY_nonlocal_ID)
constitutive_getVacancyConcentration = fieldVacancy(material_homog(ip,el))% &
field(1,mappingHomogenization(1,ip,el)) ! Taylor type
end select
select case (phase_vacancy(material_phase(ipc,ip,el)))
case (LOCAL_VACANCY_constant_ID)
constitutive_getVacancyConcentration = &
lattice_equilibriumVacancyConcentration(material_phase(ipc,ip,el))
case (LOCAL_VACANCY_generation_ID)
constitutive_getVacancyConcentration = vacancy_generation_getConcentration(ipc, ip, el)
end select
end function constitutive_getVacancyConcentration
@ -1667,22 +1714,53 @@ function constitutive_getVacancyDiffusion33(ipc, ip, el)
el !< element number
real(pReal), dimension(3,3) :: &
constitutive_getVacancyDiffusion33
select case(phase_vacancy(material_phase(ipc,ip,el)))
case (LOCAL_VACANCY_generation_ID)
constitutive_getVacancyDiffusion33 = &
vacancy_generation_getVacancyDiffusion33(ipc,ip,el)
end select
end function constitutive_getVacancyDiffusion33
!--------------------------------------------------------------------------------------------------
!> @brief returns vacancy diffusion tensor
!--------------------------------------------------------------------------------------------------
function constitutive_getVacancyMobility33(ipc, ip, el)
use prec, only: &
pReal
use lattice, only: &
lattice_VacancyDiffusion33
use material, only: &
material_phase, &
LOCAL_VACANCY_generation_ID, &
phase_vacancy
use vacancy_generation, only: &
vacancy_generation_getVacancyMobility33
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
constitutive_getVacancyMobility33
real(pReal), dimension(:), allocatable :: &
accumulatedSlip
integer(pInt) :: &
nSlip
constitutive_getVacancyDiffusion33 = lattice_VacancyDiffusion33(1:3,1:3,material_phase(ipc,ip,el))
select case(phase_vacancy(material_phase(ipc,ip,el)))
case (LOCAL_VACANCY_generation_ID)
call constitutive_getAccumulatedSlip(nSlip,accumulatedSlip,ipc,ip,el)
constitutive_getVacancyDiffusion33 = &
vacancy_generation_getVacancyDiffusion33(nSlip,accumulatedSlip,constitutive_getTemperature(ipc,ip,el), &
constitutive_getVacancyMobility33 = &
vacancy_generation_getVacancyMobility33(nSlip,accumulatedSlip,constitutive_getTemperature(ipc,ip,el), &
ipc,ip,el)
end select
end function constitutive_getVacancyDiffusion33
end function constitutive_getVacancyMobility33
!--------------------------------------------------------------------------------------------------
!> @brief returns accumulated slip on each system defined

520
code/damage_phaseField.f90 Normal file
View File

@ -0,0 +1,520 @@
!--------------------------------------------------------------------------------------------------
! $Id: damage_phaseField.f90 3736 2014-11-21 13:12:54Z MPIE\l.sharma $
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Luv Sharma, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incoprorating isotropic brittle damage
!> @details to be done
!--------------------------------------------------------------------------------------------------
module damage_phaseField
use prec, only: &
pReal, &
pInt
implicit none
private
integer(pInt), dimension(:), allocatable, public, protected :: &
damage_phaseField_sizePostResults !< cumulative size of post results
integer(pInt), dimension(:,:), allocatable, target, public :: &
damage_phaseField_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: &
damage_phaseField_output !< name of each post result output
integer(pInt), dimension(:), allocatable, target, public :: &
damage_phaseField_Noutput !< number of outputs per instance of this damage
real(pReal), dimension(:), allocatable, private :: &
damage_phaseField_aTol, &
damage_phaseField_surfaceEnergy, &
damage_phaseField_vacancyFormationEnergy
enum, bind(c)
enumerator :: undefined_ID, &
local_damage_ID
end enum !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!11 ToDo
integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: &
damage_phaseField_outputID !< ID of each post result output
public :: &
damage_phaseField_init, &
damage_phaseField_stateInit, &
damage_phaseField_aTolState, &
damage_phaseField_dotState, &
damage_phaseField_microstructure, &
damage_phaseField_getDamage, &
damage_phaseField_putLocalDamage, &
damage_phaseField_getLocalDamage, &
damage_phaseField_getDamageDiffusion33, &
damage_phaseField_getDamagedC66, &
damage_phaseField_postResults
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine damage_phaseField_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 mesh, only: &
mesh_maxNips, &
mesh_NcpElems
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: &
homogenization_maxNgrains, &
phase_damage, &
phase_damageInstance, &
phase_Noutput, &
LOCAL_damage_phaseField_label, &
LOCAL_damage_phaseField_ID, &
material_phase, &
damageState, &
MATERIAL_partPhase
use numerics,only: &
worldrank, &
numerics_integrator
implicit none
integer(pInt), intent(in) :: fileUnit
integer(pInt), parameter :: MAXNCHUNKS = 7_pInt
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
integer(pInt) :: maxNinstance,mySize=0_pInt,phase,instance,o
integer(pInt) :: sizeState, sizeDotState
integer(pInt) :: NofMyPhase
character(len=65536) :: &
tag = '', &
line = ''
mainProcess: if (worldrank == 0) then
write(6,'(/,a)') ' <<<+- damage_'//LOCAL_damage_phaseField_label//' init -+>>>'
write(6,'(a)') ' $Id: damage_phaseField.f90 3736 2014-11-21 13:12:54Z MPIE\l.sharma $'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
endif mainProcess
maxNinstance = int(count(phase_damage == LOCAL_damage_phaseField_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(damage_phaseField_sizePostResults(maxNinstance), source=0_pInt)
allocate(damage_phaseField_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt)
allocate(damage_phaseField_output(maxval(phase_Noutput),maxNinstance))
damage_phaseField_output = ''
allocate(damage_phaseField_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID)
allocate(damage_phaseField_Noutput(maxNinstance), source=0_pInt)
allocate(damage_phaseField_surfaceEnergy(maxNinstance), source=0.0_pReal)
allocate(damage_phaseField_vacancyFormationEnergy(maxNinstance), source=0.0_pReal)
allocate(damage_phaseField_aTol(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 (phase_damage(phase) == LOCAL_damage_phaseField_ID) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
instance = phase_damageInstance(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 ('(output)')
select case(IO_lc(IO_stringValue(line,positions,2_pInt)))
case ('local_damage')
damage_phaseField_Noutput(instance) = damage_phaseField_Noutput(instance) + 1_pInt
damage_phaseField_outputID(damage_phaseField_Noutput(instance),instance) = local_damage_ID
damage_phaseField_output(damage_phaseField_Noutput(instance),instance) = &
IO_lc(IO_stringValue(line,positions,2_pInt))
end select
case ('surfaceenergy')
damage_phaseField_surfaceEnergy(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancyformationenergy')
damage_phaseField_vacancyFormationEnergy(instance) = IO_floatValue(line,positions,2_pInt)
case ('atol_damage')
damage_phaseField_aTol(instance) = IO_floatValue(line,positions,2_pInt)
end select
endif; endif
enddo parsingFile
sanityChecks: do phase = 1_pInt, size(phase_damage)
myPhase: if (phase_damage(phase) == LOCAL_damage_phaseField_ID) then
NofMyPhase=count(material_phase==phase)
instance = phase_damageInstance(phase)
! sanity checks
if (damage_phaseField_aTol(instance) < 0.0_pReal) &
damage_phaseField_aTol(instance) = 1.0e-3_pReal ! default absolute tolerance 1e-3
if (damage_phaseField_surfaceEnergy(instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='surfaceEnergy ('//LOCAL_damage_phaseField_LABEL//')')
endif myPhase
enddo sanityChecks
initializeInstances: do phase = 1_pInt, size(phase_damage)
if (phase_damage(phase) == LOCAL_damage_phaseField_ID) then
NofMyPhase=count(material_phase==phase)
instance = phase_damageInstance(phase)
!--------------------------------------------------------------------------------------------------
! Determine size of postResults array
outputsLoop: do o = 1_pInt,damage_phaseField_Noutput(instance)
select case(damage_phaseField_outputID(o,instance))
case(local_damage_ID)
mySize = 1_pInt
end select
if (mySize > 0_pInt) then ! any meaningful output found
damage_phaseField_sizePostResult(o,instance) = mySize
damage_phaseField_sizePostResults(instance) = damage_phaseField_sizePostResults(instance) + mySize
endif
enddo outputsLoop
! Determine size of state array
sizeDotState = 1_pInt
sizeState = 2_pInt
damageState(phase)%sizeState = sizeState
damageState(phase)%sizeDotState = sizeDotState
damageState(phase)%sizePostResults = damage_phaseField_sizePostResults(instance)
allocate(damageState(phase)%aTolState (sizeState), source=0.0_pReal)
allocate(damageState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(damageState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(damageState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(damageState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal)
allocate(damageState(phase)%state_backup (sizeState,NofMyPhase), source=0.0_pReal)
allocate(damageState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(damageState(phase)%deltaState (sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(damageState(phase)%dotState_backup (sizeDotState,NofMyPhase), source=0.0_pReal)
if (any(numerics_integrator == 1_pInt)) then
allocate(damageState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(damageState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal)
endif
if (any(numerics_integrator == 4_pInt)) &
allocate(damageState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
if (any(numerics_integrator == 5_pInt)) &
allocate(damageState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal)
call damage_phaseField_stateInit(phase)
call damage_phaseField_aTolState(phase,instance)
endif
enddo initializeInstances
end subroutine damage_phaseField_init
!--------------------------------------------------------------------------------------------------
!> @brief sets the relevant NEW state values for a given instance of this damage
!--------------------------------------------------------------------------------------------------
subroutine damage_phaseField_stateInit(phase)
use material, only: &
damageState
implicit none
integer(pInt), intent(in) :: phase !< number specifying the phase of the damage
real(pReal), dimension(damageState(phase)%sizeState) :: tempState
tempState = 1.0_pReal
damageState(phase)%state = spread(tempState,2,size(damageState(phase)%state(1,:)))
damageState(phase)%state0 = damageState(phase)%state
damageState(phase)%partionedState0 = damageState(phase)%state
end subroutine damage_phaseField_stateInit
!--------------------------------------------------------------------------------------------------
!> @brief sets the relevant state values for a given instance of this damage
!--------------------------------------------------------------------------------------------------
subroutine damage_phaseField_aTolState(phase,instance)
use material, only: &
damageState
implicit none
integer(pInt), intent(in) :: &
phase, &
instance ! number specifying the current instance of the damage
real(pReal), dimension(damageState(phase)%sizeState) :: tempTol
tempTol = damage_phaseField_aTol(instance)
damageState(phase)%aTolState = tempTol
end subroutine damage_phaseField_aTolState
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
subroutine damage_phaseField_dotState(Cv, ipc, ip, el)
use material, only: &
mappingConstitutive, &
damageState
use lattice, only: &
lattice_DamageMobility
implicit none
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in) :: &
Cv
integer(pInt) :: &
phase, constituent
phase = mappingConstitutive(2,ipc,ip,el)
constituent = mappingConstitutive(1,ipc,ip,el)
damageState(phase)%dotState(1,constituent) = &
(damageState(phase)%state(2,constituent)*(1.0_pReal - Cv) - &
damageState(phase)%state(1,constituent))/ &
lattice_DamageMobility(phase)
end subroutine damage_phaseField_dotState
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
subroutine damage_phaseField_microstructure(C, Fe, Cv, ipc, ip, el)
use material, only: &
mappingConstitutive, &
phase_damageInstance, &
damageState
use math, only : &
math_mul33x33, &
math_mul66x6, &
math_Mandel33to6, &
math_transpose33, &
math_I3
use lattice, only: &
lattice_DamageMobility
implicit none
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
Fe
real(pReal), intent(in), dimension(6,6) :: &
C
real(pReal), intent(in) :: &
Cv
integer(pInt) :: &
phase, constituent, instance
real(pReal) :: &
strain(6), &
stress(6)
phase = mappingConstitutive(2,ipc,ip,el)
constituent = mappingConstitutive(1,ipc,ip,el)
instance = phase_damageInstance(phase)
strain = 0.5_pReal*math_Mandel33to6(math_mul33x33(math_transpose33(Fe),Fe)-math_I3)
stress = math_mul66x6(C,strain)
damageState(phase)%state(2,constituent) = &
min(damageState(phase)%state0(2,constituent), &
damage_phaseField_surfaceEnergy(instance)/ &
(2.0_pReal*(sum(abs(stress*strain)) + Cv*damage_phaseField_vacancyFormationEnergy(instance))))
end subroutine damage_phaseField_microstructure
!--------------------------------------------------------------------------------------------------
!> @brief returns damage
!--------------------------------------------------------------------------------------------------
function damage_phaseField_getDamage(ipc, ip, el)
use material, only: &
material_homog, &
mappingHomogenization, &
fieldDamage, &
field_damage_type, &
FIELD_DAMAGE_LOCAL_ID, &
FIELD_DAMAGE_NONLOCAL_ID
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal) :: damage_phaseField_getDamage
select case(field_damage_type(material_homog(ip,el)))
case (FIELD_DAMAGE_LOCAL_ID)
damage_phaseField_getDamage = damage_phaseField_getLocalDamage(ipc, ip, el)
case (FIELD_DAMAGE_NONLOCAL_ID)
damage_phaseField_getDamage = fieldDamage(material_homog(ip,el))% &
field(1,mappingHomogenization(1,ip,el)) ! Taylor type
end select
end function damage_phaseField_getDamage
!--------------------------------------------------------------------------------------------------
!> @brief returns temperature based on local damage model state layout
!--------------------------------------------------------------------------------------------------
subroutine damage_phaseField_putLocalDamage(ipc, ip, el, localDamage)
use material, only: &
mappingConstitutive, &
damageState
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(in) :: localDamage
damageState(mappingConstitutive(2,ipc,ip,el))%state(1,mappingConstitutive(1,ipc,ip,el)) = &
localDamage
end subroutine damage_phaseField_putLocalDamage
!--------------------------------------------------------------------------------------------------
!> @brief returns local damage
!--------------------------------------------------------------------------------------------------
function damage_phaseField_getLocalDamage(ipc, ip, el)
use material, only: &
mappingConstitutive, &
damageState
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal) :: damage_phaseField_getLocalDamage
damage_phaseField_getLocalDamage = &
damageState(mappingConstitutive(2,ipc,ip,el))%state(1,mappingConstitutive(1,ipc,ip,el))
end function damage_phaseField_getLocalDamage
!--------------------------------------------------------------------------------------------------
!> @brief returns brittle damage diffusion tensor
!--------------------------------------------------------------------------------------------------
function damage_phaseField_getDamageDiffusion33(ipc, ip, el)
use lattice, only: &
lattice_DamageDiffusion33
use material, only: &
mappingConstitutive, &
damageState
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
damage_phaseField_getDamageDiffusion33
integer(pInt) :: &
phase, constituent
phase = mappingConstitutive(2,ipc,ip,el)
constituent = mappingConstitutive(1,ipc,ip,el)
damage_phaseField_getDamageDiffusion33 = &
damageState(phase)%state(2,constituent)* &
lattice_DamageDiffusion33(1:3,1:3,phase)
end function damage_phaseField_getDamageDiffusion33
!--------------------------------------------------------------------------------------------------
!> @brief returns brittle damaged stiffness tensor
!--------------------------------------------------------------------------------------------------
function damage_phaseField_getDamagedC66(C, ipc, ip, el)
use material, only: &
mappingConstitutive, &
damageState
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(in), dimension(6,6) :: &
C
real(pReal), dimension(6,6) :: &
damage_phaseField_getDamagedC66
integer(pInt) :: &
phase, constituent
real(pReal) :: &
damage
phase = mappingConstitutive(2,ipc,ip,el)
constituent = mappingConstitutive(1,ipc,ip,el)
damage = damage_phaseField_getDamage(ipc, ip, el)
damage_phaseField_getDamagedC66 = &
damage*damage*C
end function damage_phaseField_getDamagedC66
!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results
!--------------------------------------------------------------------------------------------------
function damage_phaseField_postResults(ipc,ip,el)
use material, only: &
mappingConstitutive, &
phase_damageInstance,&
damageState
implicit none
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), dimension(damage_phaseField_sizePostResults(phase_damageInstance(mappingConstitutive(2,ipc,ip,el)))) :: &
damage_phaseField_postResults
integer(pInt) :: &
instance, phase, constituent, o, c
phase = mappingConstitutive(2,ipc,ip,el)
constituent = mappingConstitutive(1,ipc,ip,el)
instance = phase_damageInstance(phase)
c = 0_pInt
damage_phaseField_postResults = 0.0_pReal
do o = 1_pInt,damage_phaseField_Noutput(instance)
select case(damage_phaseField_outputID(o,instance))
case (local_damage_ID)
damage_phaseField_postResults(c+1_pInt) = damageState(phase)%state(2,constituent)
c = c + 1
end select
enddo
end function damage_phaseField_postResults
end module damage_phaseField

7
code/material.f90
View File

@ -33,6 +33,7 @@ module material
LOCAL_DAMAGE_anisoBrittle_LABEL= 'anisobrittle', &
LOCAL_DAMAGE_anisoDuctile_LABEL= 'anisoductile', &
LOCAL_DAMAGE_gurson_LABEL = 'gurson', &
LOCAL_DAMAGE_phaseField_LABEL = 'phasefield', &
LOCAL_THERMAL_isothermal_label = 'isothermal', &
LOCAL_THERMAL_adiabatic_label = 'adiabatic', &
LOCAL_VACANCY_constant_label = 'constant', &
@ -69,7 +70,8 @@ module material
LOCAL_DAMAGE_isoDuctile_ID, &
LOCAL_DAMAGE_anisoBrittle_ID, &
LOCAL_DAMAGE_anisoDuctile_ID, &
LOCAL_DAMAGE_gurson_ID
LOCAL_DAMAGE_gurson_ID, &
LOCAL_DAMAGE_phaseField_ID
end enum
enum, bind(c)
enumerator :: LOCAL_THERMAL_isothermal_ID, &
@ -244,6 +246,7 @@ module material
LOCAL_DAMAGE_anisoBrittle_ID, &
LOCAL_DAMAGE_anisoDuctile_ID, &
LOCAL_DAMAGE_gurson_ID, &
LOCAL_DAMAGE_phaseField_ID, &
LOCAL_THERMAL_isothermal_ID, &
LOCAL_THERMAL_adiabatic_ID, &
LOCAL_VACANCY_constant_ID, &
@ -859,6 +862,8 @@ subroutine material_parsePhase(fileUnit,myPart)
phase_damage(section) = LOCAL_DAMAGE_anisoDuctile_ID
case (LOCAL_DAMAGE_gurson_label)
phase_damage(section) = LOCAL_DAMAGE_gurson_ID
case (LOCAL_DAMAGE_phaseField_label)
phase_damage(section) = LOCAL_DAMAGE_phaseField_ID
case default
call IO_error(200_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
end select

235
code/vacancy_generation.f90
View File

@ -28,21 +28,11 @@ module vacancy_generation
vacancy_generation_aTol, &
vacancy_generation_freq, &
vacancy_generation_formationEnergy, &
vacancy_generation_diffusionEnergy, &
vacancy_generation_diffusionCoeff0, & !< the temperature-independent pre-exponential of diffusion coefficient D_0
vacancy_generation_stressCoeff, &
vacancy_generation_jogHeight, & !< the height of jogs in Burgers vectors
vacancy_generation_jogSeparation, & !< the jog seperation
vacancy_generation_nLatticeSites, & !< the number of lattice sites per unit volume
vacancy_generation_burgersVec, & !< the Burgers vector
vacancy_generation_dislocationCoeff, &
vacancy_generation_equilibConcentration !< the equilibrium concentration of vacancy
real(pReal), dimension(:), allocatable, public :: &
pore_nucleation_surfaceEnergy, & !< surface energy of metal which controls the necleation of pores
pore_nucleation_atomVolume, & !< the volume of atom
pore_nucleation_shellThickness, & !< the thickness of spherical shell surrounding the pore
pore_nucleation_concentrationCoeff0 !< the pre-exponential of equilibrium concentration of critical pore
vacancy_generation_migrationEnergy, &
vacancy_generation_diffusionCoeff0, & !< the temperature-independent diffusion coefficient D_0
vacancy_generation_atomicVol, &
vacancy_generation_surfaceEnergy, &
vacancy_generation_plasticityCoeff
real(pReal), parameter, private :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
@ -60,9 +50,11 @@ module vacancy_generation
vacancy_generation_stateInit, &
vacancy_generation_aTolState, &
vacancy_generation_dotState, &
vacancy_generation_getLocalConcentration, &
vacancy_generation_putLocalConcentration, &
vacancy_generation_getConcentration, &
vacancy_generation_putConcentration, &
vacancy_generation_getVacancyDiffusion33, &
vacancy_generation_getVacancyMobility33, &
vacancy_generation_postResults
contains
@ -141,21 +133,10 @@ subroutine vacancy_generation_init(fileUnit)
allocate(vacancy_generation_aTol(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_freq(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_formationEnergy(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_diffusionEnergy(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_stressCoeff(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_jogHeight(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_jogSeparation(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_nLatticeSites(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_burgersVec(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_diffusionCoeff0(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_equilibConcentration(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_dislocationCoeff(maxNinstance), source=0.0_pReal)
allocate(pore_nucleation_surfaceEnergy(maxNinstance), source=0.0_pReal)
allocate(pore_nucleation_atomVolume(maxNinstance), source=0.0_pReal)
allocate(pore_nucleation_shellThickness(maxNinstance), source=0.0_pReal)
allocate(pore_nucleation_concentrationCoeff0(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_migrationEnergy(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_atomicVol(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_surfaceEnergy(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_plasticityCoeff(maxNinstance), source=0.0_pReal)
rewind(fileUnit)
phase = 0_pInt
@ -190,50 +171,29 @@ subroutine vacancy_generation_init(fileUnit)
IO_lc(IO_stringValue(line,positions,2_pInt))
end select
case ('atol_vacancygeneration')
case ('atolvacancygeneration')
vacancy_generation_aTol(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_frequency')
case ('debyefrequency')
vacancy_generation_freq(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_formationenergy')
case ('vacancyformationenergy')
vacancy_generation_formationEnergy(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_equilibconcentration')
vacancy_generation_equilibConcentration(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancymigrationenergy')
vacancy_generation_migrationEnergy(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_diffusionenergy')
vacancy_generation_diffusionEnergy(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_diffusioncoeff0')
case ('vacancydiffusioncoeff0')
vacancy_generation_diffusionCoeff0(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_stresscoeff')
vacancy_generation_stressCoeff(instance) = IO_floatValue(line,positions,2_pInt)
case ('atomicvolume')
vacancy_generation_atomicVol(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_jogheight')
vacancy_generation_jogHeight(instance) = IO_floatValue(line,positions,2_pInt)
case ('surfaceenergy')
vacancy_generation_surfaceEnergy(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_jogseparation')
vacancy_generation_jogSeparation(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_nlatticesites')
vacancy_generation_nLatticeSites(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_burgersvec')
vacancy_generation_burgersVec(instance) = IO_floatValue(line,positions,2_pInt)
case ('pore_surfacefnergy')
pore_nucleation_surfaceEnergy(instance) = IO_floatValue(line,positions,2_pInt)
case ('pore_atomvolume')
pore_nucleation_atomVolume(instance) = IO_floatValue(line,positions,2_pInt)
case ('pore_shellthickness')
pore_nucleation_shellThickness(instance) = IO_floatValue(line,positions,2_pInt)
case ('pore_concentrationcoeff0')
pore_nucleation_concentrationCoeff0(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancyplasticitycoeff')
vacancy_generation_plasticityCoeff(instance) = IO_floatValue(line,positions,2_pInt)
end select
endif; endif
@ -244,14 +204,6 @@ subroutine vacancy_generation_init(fileUnit)
NofMyPhase=count(material_phase==phase)
instance = phase_vacancyInstance(phase)
!--------------------------------------------------------------------------------------------------
! Calculate the coefficient for dislocation motion induced vacancy generation
vacancy_generation_dislocationCoeff(instance) = vacancy_generation_jogHeight(instance)/ &
vacancy_generation_jogSeparation(instance)/ &
vacancy_generation_nLatticeSites(instance)/ &
vacancy_generation_burgersVec(instance)/ &
vacancy_generation_burgersVec(instance)
!--------------------------------------------------------------------------------------------------
! Determine size of postResults array
outputsLoop: do o = 1_pInt,vacancy_generation_Noutput(instance)
@ -337,17 +289,13 @@ end subroutine vacancy_generation_aTolState
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
subroutine vacancy_generation_dotState(nSlip, accumulatedSlip, Tstar_v, Temperature, ipc, ip, el)
use lattice, only: &
lattice_massDensity, &
lattice_specificHeat
use material, only: &
mappingConstitutive, &
phase_vacancyInstance, &
vacancyState
use math, only: &
math_Mandel6to33, &
math_trace33, &
pi
math_trace33
implicit none
integer(pInt), intent(in) :: &
@ -362,70 +310,29 @@ subroutine vacancy_generation_dotState(nSlip, accumulatedSlip, Tstar_v, Temperat
real(pReal), intent(in) :: &
Temperature !< 2nd Piola Kirchhoff stress tensor (Mandel)
real(pReal) :: &
pressure !< 2nd Piola Kirchhoff stress tensor (Mandel)
pressure, &
energyBarrier
integer(pInt) :: &
instance, phase, constituent
real(pReal) :: &
vacancyConcentration, & !< current vacancy concentration
vacancyDiffusion, & !< the diffusion coefficient D_v
poleZeldovichCoeff, & !< Zeldovich factor of pore nucleation
vacancyAbsorpRateCoeff, & !< vacancy absorption rate
chemicalPotential, & !< the chemical potential due to vacancy concentration
criticalRadius, & !< the critical pore radius
Gibbs4Pore, & !< the Gibbs free energy for generating a critical pore
equilibPoreConcentration, & !< the equilibrium pore concentration
nucleationRatePore, & !< the nucleation rate of pore
ratioCvCve !< the ratio of Cv with respect to Cve
real(pReal) :: &
threshold4ratioCvCve = 2.0_pReal !< the threshold value for Cv/Cve
phase = mappingConstitutive(2,ipc,ip,el)
constituent = mappingConstitutive(1,ipc,ip,el)
instance = phase_vacancyInstance(phase)
pressure = math_trace33(math_Mandel6to33(Tstar_v))
energyBarrier = vacancy_generation_formationEnergy(instance) - &
pressure*vacancy_generation_atomicVol(instance) - &
sum(accumulatedSlip)*vacancy_generation_plasticityCoeff(instance)
!--------------------------------------------------------------------------------------------------
vacancyConcentration = vacancy_generation_getConcentration(ipc, ip, el)
ratioCvCve = vacancyConcentration/vacancy_generation_equilibConcentration(instance)
if(ratioCvCve < threshold4ratioCvCve) then
nucleationRatePore = 0.0_pReal
else
! Calculate nucleation rate of pore
vacancyDiffusion = vacancy_generation_diffusionCoeff0(instance)* &
exp( -vacancy_generation_diffusionEnergy(instance)/(kB*temperature) )
chemicalPotential = kB*Temperature * log(vacancyConcentration/ &
vacancy_generation_equilibConcentration(instance))
criticalRadius = 2_pReal/chemicalPotential* &
pore_nucleation_surfaceEnergy(instance) * pore_nucleation_atomVolume(instance)
Gibbs4Pore = 4_pReal/3_pReal * pi * pore_nucleation_surfaceEnergy(instance)* &
criticalRadius * criticalRadius
equilibPoreConcentration = pore_nucleation_concentrationCoeff0(instance)* &
exp( -Gibbs4Pore/(kB*temperature) )
vacancyAbsorpRateCoeff = 2_pReal/pore_nucleation_shellThickness(instance) * &
vacancyDiffusion * vacancyConcentration
poleZeldovichCoeff = pore_nucleation_atomVolume(instance)* &
sqrt( pore_nucleation_surfaceEnergy(instance)/(kB*temperature) )
nucleationRatePore = poleZeldovichCoeff * vacancyAbsorpRateCoeff* equilibPoreConcentration
endif
!--------------------------------------------------------------------------------------------------
! the net generating rate vacancy
vacancyState(phase)%dotState(1,constituent) = &
vacancy_generation_freq(instance)* &
exp(-(vacancy_generation_formationEnergy(instance) - vacancy_generation_stressCoeff(instance)*pressure)/ &
(kB*Temperature)) + &
sum(accumulatedSlip) * vacancy_generation_dislocationCoeff(instance)- & !< Induced by dislocation motion
nucleationRatePore * (4_pReal/3_pReal * pi * criticalRadius**3_pReal)/ & !< Reduced by the formation of pore
pore_nucleation_atomVolume(instance)
exp(-energyBarrier/(kB*Temperature))
end subroutine vacancy_generation_dotState
!--------------------------------------------------------------------------------------------------
!> @brief returns vacancy concentration based on state layout
!--------------------------------------------------------------------------------------------------
function vacancy_generation_getConcentration(ipc, ip, el)
function vacancy_generation_getLocalConcentration(ipc, ip, el)
use material, only: &
mappingConstitutive, &
vacancyState
@ -435,17 +342,17 @@ function vacancy_generation_getConcentration(ipc, ip, el)
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal) :: vacancy_generation_getConcentration
real(pReal) :: vacancy_generation_getLocalConcentration
vacancy_generation_getConcentration = &
vacancy_generation_getLocalConcentration = &
vacancyState(mappingConstitutive(2,ipc,ip,el))%state(1,mappingConstitutive(1,ipc,ip,el))
end function vacancy_generation_getConcentration
end function vacancy_generation_getLocalConcentration
!--------------------------------------------------------------------------------------------------
!> @brief returns temperature based on local damage model state layout
!--------------------------------------------------------------------------------------------------
subroutine vacancy_generation_putConcentration(ipc, ip, el, localVacancyConcentration)
subroutine vacancy_generation_putLocalConcentration(ipc, ip, el, localVacancyConcentration)
use material, only: &
mappingConstitutive, &
vacancyState
@ -461,18 +368,68 @@ subroutine vacancy_generation_putConcentration(ipc, ip, el, localVacancyConcentr
vacancyState(mappingConstitutive(2,ipc,ip,el))%state(1,mappingConstitutive(1,ipc,ip,el))= &
localVacancyConcentration
end subroutine vacancy_generation_putConcentration
end subroutine vacancy_generation_putLocalConcentration
!--------------------------------------------------------------------------------------------------
!> @brief returns vacancy concentration based on state layout
!--------------------------------------------------------------------------------------------------
function vacancy_generation_getConcentration(ipc, ip, el)
use material, only: &
mappingHomogenization, &
material_phase, &
fieldVacancy, &
field_vacancy_type, &
FIELD_VACANCY_local_ID, &
FIELD_VACANCY_nonlocal_ID, &
material_homog
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal) :: vacancy_generation_getConcentration
select case(field_vacancy_type(material_homog(ip,el)))
case (FIELD_VACANCY_local_ID)
vacancy_generation_getConcentration = vacancy_generation_getLocalConcentration(ipc, ip, el)
case (FIELD_VACANCY_nonlocal_ID)
vacancy_generation_getConcentration = fieldVacancy(material_homog(ip,el))% &
field(1,mappingHomogenization(1,ip,el)) ! Taylor type
end select
end function vacancy_generation_getConcentration
!--------------------------------------------------------------------------------------------------
!> @brief returns generation vacancy diffusion tensor
!--------------------------------------------------------------------------------------------------
function vacancy_generation_getVacancyDiffusion33(nSlip,accumulatedSlip,temperature,ipc,ip,el)
function vacancy_generation_getVacancyDiffusion33(ipc,ip,el)
use lattice, only: &
lattice_VacancyDiffusion33
use material, only: &
mappingConstitutive
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
vacancy_generation_getVacancyDiffusion33
vacancy_generation_getVacancyDiffusion33 = &
lattice_VacancyDiffusion33(1:3,1:3,mappingConstitutive(2,ipc,ip,el))
end function vacancy_generation_getVacancyDiffusion33
!--------------------------------------------------------------------------------------------------
!> @brief returns generation vacancy mobility tensor
!--------------------------------------------------------------------------------------------------
function vacancy_generation_getVacancyMobility33(nSlip,accumulatedSlip,temperature,ipc,ip,el)
use material, only: &
mappingConstitutive, &
phase_vacancyInstance, &
vacancyState
phase_vacancyInstance
implicit none
integer(pInt), intent(in) :: &
@ -481,7 +438,7 @@ function vacancy_generation_getVacancyDiffusion33(nSlip,accumulatedSlip,temperat
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
vacancy_generation_getVacancyDiffusion33
vacancy_generation_getVacancyMobility33
real(pReal), dimension(nSlip) :: &
accumulatedSlip
real(pReal) :: &
@ -493,11 +450,13 @@ function vacancy_generation_getVacancyDiffusion33(nSlip,accumulatedSlip,temperat
constituent = mappingConstitutive(1,ipc,ip,el)
instance = phase_vacancyInstance(phase)
vacancy_generation_getVacancyDiffusion33 = &
lattice_VacancyDiffusion33(1:3,1:3,phase)* &
exp(-vacancy_generation_diffusionEnergy(instance)/(kB*temperature))
vacancy_generation_getVacancyMobility33 = &
vacancy_generation_surfaceEnergy(instance)* &
vacancy_generation_diffusionCoeff0(instance)* &
exp(-vacancy_generation_migrationEnergy(instance)/(kB*temperature))/ &
(kB*temperature)
end function vacancy_generation_getVacancyDiffusion33
end function vacancy_generation_getVacancyMobility33
!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results