cleaning up and meaningful renaming
This commit is contained in:
Pratheek Shanthraj
parent
a72a9ed8ec
commit
9c474796ac
|
|
@ -27,14 +27,14 @@ module vacancy_generation
|
|||
real(pReal), dimension(:), allocatable, public :: &
|
||||
vacancy_generation_aTol, &
|
||||
vacancy_generation_freq, &
|
||||
vacancy_generation_energy, &
|
||||
vacancy_generation_C1, &
|
||||
vacancy_generation_C2, &
|
||||
vacancy_generation_formationEnergy, &
|
||||
vacancy_generation_diffusionEnergy, &
|
||||
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_generateFactorbyDislocation
|
||||
vacancy_generation_dislocationCoeff
|
||||
|
||||
real(pReal), parameter, private :: &
|
||||
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
|
||||
|
|
@ -132,15 +132,15 @@ subroutine vacancy_generation_init(fileUnit)
|
|||
allocate(vacancy_generation_Noutput(maxNinstance), source=0_pInt)
|
||||
allocate(vacancy_generation_aTol(maxNinstance), source=0.0_pReal)
|
||||
allocate(vacancy_generation_freq(maxNinstance), source=0.0_pReal)
|
||||
allocate(vacancy_generation_energy(maxNinstance), source=0.0_pReal)
|
||||
allocate(vacancy_generation_C1(maxNinstance), source=0.0_pReal)
|
||||
allocate(vacancy_generation_C2(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_generateFactorbyDislocation(maxNinstance), source=0.0_pReal)
|
||||
allocate(vacancy_generation_dislocationCoeff(maxNinstance), source=0.0_pReal)
|
||||
|
||||
rewind(fileUnit)
|
||||
phase = 0_pInt
|
||||
|
|
@ -181,21 +181,24 @@ subroutine vacancy_generation_init(fileUnit)
|
|||
case ('vacancy_frequency')
|
||||
vacancy_generation_freq(instance) = IO_floatValue(line,positions,2_pInt)
|
||||
|
||||
case ('vacancy_energy')
|
||||
vacancy_generation_energy(instance) = IO_floatValue(line,positions,2_pInt)
|
||||
case ('vacancy_formationEnergy')
|
||||
vacancy_generation_formationEnergy(instance) = IO_floatValue(line,positions,2_pInt)
|
||||
|
||||
case ('vacancy_C1')
|
||||
vacancy_generation_C1(instance) = IO_floatValue(line,positions,2_pInt)
|
||||
case ('vacancy_diffusionEnergy')
|
||||
vacancy_generation_diffusionEnergy(instance) = IO_floatValue(line,positions,2_pInt)
|
||||
|
||||
case ('vacancy_C2')
|
||||
vacancy_generation_C2(instance) = IO_floatValue(line,positions,2_pInt)
|
||||
case ('vacancy_stressCoeff')
|
||||
vacancy_generation_stressCoeff(instance) = IO_floatValue(line,positions,2_pInt)
|
||||
|
||||
case ('vacancy_jogHeight')
|
||||
vacancy_generation_jogHeight(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)
|
||||
|
||||
|
|
@ -208,6 +211,14 @@ 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)
|
||||
|
|
@ -244,15 +255,9 @@ subroutine vacancy_generation_init(fileUnit)
|
|||
if (any(numerics_integrator == 4_pInt)) &
|
||||
allocate(vacancyState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
|
||||
if (any(numerics_integrator == 5_pInt)) &
|
||||
allocate(vacancyState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal)
|
||||
! Calculate the coefficient which decribes the rate of vacancy concentration induced by dislocation motion.
|
||||
vacancy_generateFactorbyDislocation(instance) = vacancy_generation_jogHeight(instance)/ &
|
||||
vacancy_generation_jogSeparation(instance)/ &
|
||||
vacancy_generation_nLatticeSites(instance)/ &
|
||||
vacancy_generation_burgersVec(instance)/ &
|
||||
vacancy_generation_burgersVec(instance)
|
||||
allocate(vacancyState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal)
|
||||
|
||||
call vacancy_generation_stateInit(phase,instance)
|
||||
call vacancy_generation_stateInit(phase)
|
||||
call vacancy_generation_aTolState(phase,instance)
|
||||
endif
|
||||
|
||||
|
|
@ -262,19 +267,17 @@ end subroutine vacancy_generation_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets the relevant NEW state values for a given instance of this vacancy model
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine vacancy_generation_stateInit(phase,instance)
|
||||
subroutine vacancy_generation_stateInit(phase)
|
||||
use material, only: &
|
||||
vacancyState
|
||||
use lattice, only: &
|
||||
lattice_equilibriumVacancyConcentration
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: instance !< number specifying the instance of the vacancy
|
||||
integer(pInt), intent(in) :: phase !< number specifying the phase of the vacancy
|
||||
|
||||
integer(pInt), intent(in) :: phase !< number specifying the phase of the vacancy
|
||||
real(pReal), dimension(vacancyState(phase)%sizeState) :: tempState
|
||||
|
||||
tempState(1) = lattice_equilibriumVacancyConcentration(phase)
|
||||
tempState = lattice_equilibriumVacancyConcentration(phase)
|
||||
vacancyState(phase)%state = spread(tempState,2,size(vacancyState(phase)%state(1,:)))
|
||||
vacancyState(phase)%state0 = vacancyState(phase)%state
|
||||
vacancyState(phase)%partionedState0 = vacancyState(phase)%state
|
||||
|
|
@ -293,7 +296,7 @@ subroutine vacancy_generation_aTolState(phase,instance)
|
|||
instance ! number specifying the current instance of the vacancy
|
||||
real(pReal), dimension(vacancyState(phase)%sizeState) :: tempTol
|
||||
|
||||
tempTol = vacancy_generation_aTol
|
||||
tempTol = vacancy_generation_aTol(instance)
|
||||
vacancyState(phase)%aTolState = tempTol
|
||||
end subroutine vacancy_generation_aTolState
|
||||
|
||||
|
|
@ -336,9 +339,9 @@ subroutine vacancy_generation_dotState(nSlip, accumulatedSlip, Tstar_v, Temperat
|
|||
|
||||
vacancyState(phase)%dotState(1,constituent) = &
|
||||
vacancy_generation_freq(instance)* &
|
||||
exp(-(vacancy_generation_energy(instance) - vacancy_generation_C2(instance)*pressure)/ &
|
||||
exp(-(vacancy_generation_formationEnergy(instance) - vacancy_generation_stressCoeff(instance)*pressure)/ &
|
||||
(kB*Temperature)) + &
|
||||
sum(accumulatedSlip) * vacancy_generateFactorbyDislocation(instance) !< Induced by dislocation motion.
|
||||
sum(accumulatedSlip) * vacancy_generation_dislocationCoeff(instance) !< Induced by dislocation motion.
|
||||
|
||||
end subroutine vacancy_generation_dotState
|
||||
|
||||
|
|
@ -415,8 +418,7 @@ function vacancy_generation_getVacancyDiffusion33(nSlip,accumulatedSlip,temperat
|
|||
|
||||
vacancy_generation_getVacancyDiffusion33 = &
|
||||
lattice_VacancyDiffusion33(1:3,1:3,phase)* &
|
||||
(1.0_pReal + vacancy_generation_C2(instance)*sum(accumulatedSlip))* &
|
||||
exp(-vacancy_generation_energy(instance)/(kB*temperature))
|
||||
exp(-vacancy_generation_diffusionEnergy(instance)/(kB*temperature))
|
||||
|
||||
end function vacancy_generation_getVacancyDiffusion33
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue