potential driving force for conservative cahn hilliard vacancy diffusion
This commit is contained in:
Pratheek Shanthraj
parent
20437b2ae0
commit
a4584fecd2
|
|
@ -48,6 +48,7 @@ module constitutive
|
|||
constitutive_getVacancyConcentration, &
|
||||
constitutive_getVacancyDiffusion33, &
|
||||
constitutive_getVacancyMobility33, &
|
||||
constitutive_getVacancyPotentialDrivingForce, &
|
||||
constitutive_postResults
|
||||
|
||||
private :: &
|
||||
|
|
@ -1730,8 +1731,6 @@ end function constitutive_getVacancyDiffusion33
|
|||
function constitutive_getVacancyMobility33(ipc, ip, el)
|
||||
use prec, only: &
|
||||
pReal
|
||||
use lattice, only: &
|
||||
lattice_VacancyDiffusion33
|
||||
use material, only: &
|
||||
material_phase, &
|
||||
LOCAL_VACANCY_generation_ID, &
|
||||
|
|
@ -1762,6 +1761,42 @@ function constitutive_getVacancyMobility33(ipc, ip, el)
|
|||
|
||||
end function constitutive_getVacancyMobility33
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns vacancy chemical potential driving force
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function constitutive_getVacancyPotentialDrivingForce(ipc, ip, el)
|
||||
use prec, only: &
|
||||
pReal
|
||||
use material, only: &
|
||||
material_phase, &
|
||||
LOCAL_VACANCY_generation_ID, &
|
||||
phase_vacancy
|
||||
use vacancy_generation, only: &
|
||||
vacancy_generation_getVacancyPotentialDrivingForce
|
||||
|
||||
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
|
||||
|
||||
select case(phase_vacancy(material_phase(ipc,ip,el)))
|
||||
case (LOCAL_VACANCY_generation_ID)
|
||||
call constitutive_getAccumulatedSlip(nSlip,accumulatedSlip,ipc,ip,el)
|
||||
constitutive_getVacancyMobility33 = &
|
||||
vacancy_generation_getVacancyPotentialDrivingForce(constitutive_getDamage(ipc, ip, el), &
|
||||
ipc,ip,el)
|
||||
|
||||
end select
|
||||
|
||||
end function constitutive_getVacancyPotentialDrivingForce
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns accumulated slip on each system defined
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -74,8 +74,9 @@ module homogenization
|
|||
field_getThermalConductivity33, &
|
||||
field_getMassDensity, &
|
||||
field_getSpecificHeat, &
|
||||
field_getVacancyMobility, &
|
||||
field_getVacancyMobility33, &
|
||||
field_getVacancyDiffusion33, &
|
||||
field_getVacancyPotentialDrivingForce, &
|
||||
materialpoint_postResults, &
|
||||
field_postResults
|
||||
private :: &
|
||||
|
|
@ -1104,8 +1105,6 @@ end function field_getDamageMobility
|
|||
function field_getVacancyDiffusion33(ip,el)
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use lattice, only: &
|
||||
lattice_vacancyDiffusion33
|
||||
use material, only: &
|
||||
material_homog, &
|
||||
field_vacancy_type, &
|
||||
|
|
@ -1140,20 +1139,59 @@ function field_getVacancyDiffusion33(ip,el)
|
|||
homogenization_Ngrains(mesh_element(3,el))
|
||||
|
||||
end function field_getVacancyDiffusion33
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Returns average mobility for vacancy field at each integration point
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function field_getVacancyMobility(ip,el)
|
||||
function field_getVacancyMobility33(ip,el)
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use lattice, only: &
|
||||
lattice_vacancyMobility
|
||||
use material, only: &
|
||||
material_phase, &
|
||||
material_homog, &
|
||||
field_vacancy_type, &
|
||||
FIELD_VACANCY_NONLOCAL_ID, &
|
||||
homogenization_Ngrains
|
||||
use constitutive, only: &
|
||||
constitutive_getVacancyMobility33
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: &
|
||||
ip, & !< integration point number
|
||||
el !< element number
|
||||
real(pReal), dimension(3,3) :: &
|
||||
field_getVacancyMobility33
|
||||
integer(pInt) :: &
|
||||
ipc
|
||||
|
||||
|
||||
field_getVacancyMobility33 = 0.0_pReal
|
||||
|
||||
select case(field_vacancy_type(material_homog(ip,el)))
|
||||
case (FIELD_VACANCY_NONLOCAL_ID)
|
||||
do ipc = 1, homogenization_Ngrains(mesh_element(3,el))
|
||||
field_getVacancyMobility33 = field_getVacancyMobility33 + constitutive_getVacancyMobility33(ipc,ip,el)
|
||||
enddo
|
||||
|
||||
end select
|
||||
|
||||
field_getVacancyMobility33 = field_getVacancyMobility33/ &
|
||||
homogenization_Ngrains(mesh_element(3,el))
|
||||
|
||||
end function field_getVacancyMobility33
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Returns average driving for vacancy chemical potential at each integration point
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function field_getVacancyPotentialDrivingForce(ip,el)
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use material, only: &
|
||||
material_homog, &
|
||||
field_vacancy_type, &
|
||||
FIELD_VACANCY_NONLOCAL_ID, &
|
||||
homogenization_Ngrains
|
||||
use constitutive, only: &
|
||||
constitutive_getVacancyPotentialDrivingForce
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: &
|
||||
|
|
@ -1163,20 +1201,21 @@ real(pReal) function field_getVacancyMobility(ip,el)
|
|||
ipc
|
||||
|
||||
|
||||
field_getVacancyMobility =0.0_pReal
|
||||
field_getVacancyPotentialDrivingForce = 0.0_pReal
|
||||
|
||||
select case(field_vacancy_type(material_homog(ip,el)))
|
||||
case (FIELD_VACANCY_NONLOCAL_ID)
|
||||
do ipc = 1, homogenization_Ngrains(mesh_element(3,el))
|
||||
field_getVacancyMobility = field_getVacancyMobility + lattice_VacancyMobility(material_phase(ipc,ip,el))
|
||||
field_getVacancyPotentialDrivingForce = field_getVacancyPotentialDrivingForce + &
|
||||
constitutive_getVacancyPotentialDrivingForce(ipc,ip,el)
|
||||
enddo
|
||||
|
||||
end select
|
||||
|
||||
field_getVacancyMobility = field_getVacancyMobility/ &
|
||||
field_getVacancyPotentialDrivingForce = field_getVacancyPotentialDrivingForce/ &
|
||||
homogenization_Ngrains(mesh_element(3,el))
|
||||
|
||||
end function field_getVacancyMobility
|
||||
end function field_getVacancyPotentialDrivingForce
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief ToDo
|
||||
|
|
|
|||
|
|
@ -55,6 +55,7 @@ module vacancy_generation
|
|||
vacancy_generation_getConcentration, &
|
||||
vacancy_generation_getVacancyDiffusion33, &
|
||||
vacancy_generation_getVacancyMobility33, &
|
||||
vacancy_generation_getVacancyPotentialDrivingForce, &
|
||||
vacancy_generation_postResults
|
||||
|
||||
contains
|
||||
|
|
@ -427,6 +428,8 @@ end function vacancy_generation_getVacancyDiffusion33
|
|||
!> @brief returns generation vacancy mobility tensor
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function vacancy_generation_getVacancyMobility33(nSlip,accumulatedSlip,temperature,ipc,ip,el)
|
||||
use math, only: &
|
||||
math_I3
|
||||
use material, only: &
|
||||
mappingConstitutive, &
|
||||
phase_vacancyInstance
|
||||
|
|
@ -451,6 +454,7 @@ function vacancy_generation_getVacancyMobility33(nSlip,accumulatedSlip,temperatu
|
|||
instance = phase_vacancyInstance(phase)
|
||||
|
||||
vacancy_generation_getVacancyMobility33 = &
|
||||
math_I3* &
|
||||
vacancy_generation_surfaceEnergy(instance)* &
|
||||
vacancy_generation_diffusionCoeff0(instance)* &
|
||||
exp(-vacancy_generation_migrationEnergy(instance)/(kB*temperature))/ &
|
||||
|
|
@ -458,6 +462,34 @@ function vacancy_generation_getVacancyMobility33(nSlip,accumulatedSlip,temperatu
|
|||
|
||||
end function vacancy_generation_getVacancyMobility33
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns generation vacancy mobility tensor
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function vacancy_generation_getVacancyPotentialDrivingForce(damage,ipc,ip,el)
|
||||
use material, only: &
|
||||
mappingConstitutive, &
|
||||
phase_vacancyInstance
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: &
|
||||
ipc, & !< grain number
|
||||
ip, & !< integration point number
|
||||
el !< element number
|
||||
real(pReal), intent(in) :: &
|
||||
damage
|
||||
integer(pInt) :: &
|
||||
phase, constituent, instance
|
||||
|
||||
phase = mappingConstitutive(2,ipc,ip,el)
|
||||
constituent = mappingConstitutive(1,ipc,ip,el)
|
||||
instance = phase_vacancyInstance(phase)
|
||||
|
||||
vacancy_generation_getVacancyPotentialDrivingForce = &
|
||||
1.0_pReal - damage - damage*damage*vacancy_generation_formationEnergy(instance)/ &
|
||||
vacancy_generation_surfaceEnergy(instance)
|
||||
|
||||
end function vacancy_generation_getVacancyPotentialDrivingForce
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of constitutive results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
Loading…
Reference in New Issue