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cleaning up and meaningful renaming

This commit is contained in:
Pratheek Shanthraj 2014-11-06 17:41:34 +00:00
parent a72a9ed8ec
commit 9c474796ac
1 changed files with 34 additions and 32 deletions
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66
code/vacancy_generation.f90
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@ -27,14 +27,14 @@ module vacancy_generation
real(pReal), dimension(:), allocatable, public :: & real(pReal), dimension(:), allocatable, public :: &
vacancy_generation_aTol, & vacancy_generation_aTol, &
vacancy_generation_freq, & vacancy_generation_freq, &
vacancy_generation_energy, & vacancy_generation_formationEnergy, &
vacancy_generation_C1, & vacancy_generation_diffusionEnergy, &
vacancy_generation_C2, & vacancy_generation_stressCoeff, &
vacancy_generation_jogHeight, & !< the height of jogs in Burgers vectors vacancy_generation_jogHeight, & !< the height of jogs in Burgers vectors
vacancy_generation_jogSeparation, & !< the jog seperation vacancy_generation_jogSeparation, & !< the jog seperation
vacancy_generation_nLatticeSites, & !< the number of lattice sites per unit volume vacancy_generation_nLatticeSites, & !< the number of lattice sites per unit volume
vacancy_generation_burgersVec, & !< the Burgers vector vacancy_generation_burgersVec, & !< the Burgers vector
vacancy_generateFactorbyDislocation vacancy_generation_dislocationCoeff
real(pReal), parameter, private :: & real(pReal), parameter, private :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin 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_Noutput(maxNinstance), source=0_pInt)
allocate(vacancy_generation_aTol(maxNinstance), source=0.0_pReal) allocate(vacancy_generation_aTol(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_freq(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_formationEnergy(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_C1(maxNinstance), source=0.0_pReal) allocate(vacancy_generation_diffusionEnergy(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_C2(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_jogHeight(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_jogSeparation(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_nLatticeSites(maxNinstance), source=0.0_pReal)
allocate(vacancy_generation_burgersVec(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) rewind(fileUnit)
phase = 0_pInt phase = 0_pInt
@ -181,21 +181,24 @@ subroutine vacancy_generation_init(fileUnit)
case ('vacancy_frequency') case ('vacancy_frequency')
vacancy_generation_freq(instance) = IO_floatValue(line,positions,2_pInt) vacancy_generation_freq(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_energy') case ('vacancy_formationEnergy')
vacancy_generation_energy(instance) = IO_floatValue(line,positions,2_pInt) vacancy_generation_formationEnergy(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_C1') case ('vacancy_diffusionEnergy')
vacancy_generation_C1(instance) = IO_floatValue(line,positions,2_pInt) vacancy_generation_diffusionEnergy(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_C2') case ('vacancy_stressCoeff')
vacancy_generation_C2(instance) = IO_floatValue(line,positions,2_pInt) vacancy_generation_stressCoeff(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_jogHeight') case ('vacancy_jogHeight')
vacancy_generation_jogHeight(instance) = IO_floatValue(line,positions,2_pInt) vacancy_generation_jogHeight(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_jogSeparation') case ('vacancy_jogSeparation')
vacancy_generation_jogSeparation(instance) = IO_floatValue(line,positions,2_pInt) vacancy_generation_jogSeparation(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_nLatticeSites') case ('vacancy_nLatticeSites')
vacancy_generation_nLatticeSites(instance) = IO_floatValue(line,positions,2_pInt) vacancy_generation_nLatticeSites(instance) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_burgersVec') case ('vacancy_burgersVec')
vacancy_generation_burgersVec(instance) = IO_floatValue(line,positions,2_pInt) vacancy_generation_burgersVec(instance) = IO_floatValue(line,positions,2_pInt)
@ -208,6 +211,14 @@ subroutine vacancy_generation_init(fileUnit)
NofMyPhase=count(material_phase==phase) NofMyPhase=count(material_phase==phase)
instance = phase_vacancyInstance(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 ! Determine size of postResults array
outputsLoop: do o = 1_pInt,vacancy_generation_Noutput(instance) outputsLoop: do o = 1_pInt,vacancy_generation_Noutput(instance)
@ -244,15 +255,9 @@ subroutine vacancy_generation_init(fileUnit)
if (any(numerics_integrator == 4_pInt)) & if (any(numerics_integrator == 4_pInt)) &
allocate(vacancyState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(vacancyState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
if (any(numerics_integrator == 5_pInt)) & if (any(numerics_integrator == 5_pInt)) &
allocate(vacancyState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) 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)
call vacancy_generation_stateInit(phase,instance) call vacancy_generation_stateInit(phase)
call vacancy_generation_aTolState(phase,instance) call vacancy_generation_aTolState(phase,instance)
endif 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 !> @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: & use material, only: &
vacancyState vacancyState
use lattice, only: & use lattice, only: &
lattice_equilibriumVacancyConcentration lattice_equilibriumVacancyConcentration
implicit none 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 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)%state = spread(tempState,2,size(vacancyState(phase)%state(1,:)))
vacancyState(phase)%state0 = vacancyState(phase)%state vacancyState(phase)%state0 = vacancyState(phase)%state
vacancyState(phase)%partionedState0 = 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 instance ! number specifying the current instance of the vacancy
real(pReal), dimension(vacancyState(phase)%sizeState) :: tempTol real(pReal), dimension(vacancyState(phase)%sizeState) :: tempTol
tempTol = vacancy_generation_aTol tempTol = vacancy_generation_aTol(instance)
vacancyState(phase)%aTolState = tempTol vacancyState(phase)%aTolState = tempTol
end subroutine vacancy_generation_aTolState end subroutine vacancy_generation_aTolState
@ -336,9 +339,9 @@ subroutine vacancy_generation_dotState(nSlip, accumulatedSlip, Tstar_v, Temperat
vacancyState(phase)%dotState(1,constituent) = & vacancyState(phase)%dotState(1,constituent) = &
vacancy_generation_freq(instance)* & 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)) + & (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 end subroutine vacancy_generation_dotState
@ -415,8 +418,7 @@ function vacancy_generation_getVacancyDiffusion33(nSlip,accumulatedSlip,temperat
vacancy_generation_getVacancyDiffusion33 = & vacancy_generation_getVacancyDiffusion33 = &
lattice_VacancyDiffusion33(1:3,1:3,phase)* & lattice_VacancyDiffusion33(1:3,1:3,phase)* &
(1.0_pReal + vacancy_generation_C2(instance)*sum(accumulatedSlip))* & exp(-vacancy_generation_diffusionEnergy(instance)/(kB*temperature))
exp(-vacancy_generation_energy(instance)/(kB*temperature))
end function vacancy_generation_getVacancyDiffusion33 end function vacancy_generation_getVacancyDiffusion33