cleaning up and meaningful renaming
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Pratheek Shanthraj
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9c474796ac
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@ -27,14 +27,14 @@ module vacancy_generation
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real(pReal), dimension(:), allocatable, public :: &
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vacancy_generation_aTol, &
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vacancy_generation_freq, &
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vacancy_generation_energy, &
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vacancy_generation_C1, &
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vacancy_generation_C2, &
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vacancy_generation_formationEnergy, &
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vacancy_generation_diffusionEnergy, &
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vacancy_generation_stressCoeff, &
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vacancy_generation_jogHeight, & !< the height of jogs in Burgers vectors
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vacancy_generation_jogSeparation, & !< the jog seperation
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vacancy_generation_nLatticeSites, & !< the number of lattice sites per unit volume
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vacancy_generation_burgersVec, & !< the Burgers vector
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vacancy_generateFactorbyDislocation
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vacancy_generation_dislocationCoeff
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real(pReal), parameter, private :: &
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kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
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@ -132,15 +132,15 @@ subroutine vacancy_generation_init(fileUnit)
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allocate(vacancy_generation_Noutput(maxNinstance), source=0_pInt)
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allocate(vacancy_generation_aTol(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_freq(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_energy(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_C1(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_C2(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_formationEnergy(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_diffusionEnergy(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_stressCoeff(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_jogHeight(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_jogSeparation(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_nLatticeSites(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_burgersVec(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generateFactorbyDislocation(maxNinstance), source=0.0_pReal)
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allocate(vacancy_generation_dislocationCoeff(maxNinstance), source=0.0_pReal)
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rewind(fileUnit)
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phase = 0_pInt
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@ -181,21 +181,24 @@ subroutine vacancy_generation_init(fileUnit)
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case ('vacancy_frequency')
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vacancy_generation_freq(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_energy')
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vacancy_generation_energy(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_formationEnergy')
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vacancy_generation_formationEnergy(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_C1')
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vacancy_generation_C1(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_diffusionEnergy')
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vacancy_generation_diffusionEnergy(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_C2')
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vacancy_generation_C2(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_stressCoeff')
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vacancy_generation_stressCoeff(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_jogHeight')
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vacancy_generation_jogHeight(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_jogSeparation')
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vacancy_generation_jogSeparation(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_nLatticeSites')
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vacancy_generation_nLatticeSites(instance) = IO_floatValue(line,positions,2_pInt)
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case ('vacancy_burgersVec')
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vacancy_generation_burgersVec(instance) = IO_floatValue(line,positions,2_pInt)
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@ -208,6 +211,14 @@ subroutine vacancy_generation_init(fileUnit)
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NofMyPhase=count(material_phase==phase)
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instance = phase_vacancyInstance(phase)
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!--------------------------------------------------------------------------------------------------
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! Calculate the coefficient for dislocation motion induced vacancy generation
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vacancy_generation_dislocationCoeff(instance) = vacancy_generation_jogHeight(instance)/ &
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vacancy_generation_jogSeparation(instance)/ &
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vacancy_generation_nLatticeSites(instance)/ &
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vacancy_generation_burgersVec(instance)/ &
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vacancy_generation_burgersVec(instance)
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!--------------------------------------------------------------------------------------------------
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! Determine size of postResults array
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outputsLoop: do o = 1_pInt,vacancy_generation_Noutput(instance)
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@ -245,14 +256,8 @@ subroutine vacancy_generation_init(fileUnit)
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allocate(vacancyState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
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if (any(numerics_integrator == 5_pInt)) &
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allocate(vacancyState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal)
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! Calculate the coefficient which decribes the rate of vacancy concentration induced by dislocation motion.
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vacancy_generateFactorbyDislocation(instance) = vacancy_generation_jogHeight(instance)/ &
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vacancy_generation_jogSeparation(instance)/ &
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vacancy_generation_nLatticeSites(instance)/ &
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vacancy_generation_burgersVec(instance)/ &
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vacancy_generation_burgersVec(instance)
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call vacancy_generation_stateInit(phase,instance)
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call vacancy_generation_stateInit(phase)
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call vacancy_generation_aTolState(phase,instance)
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endif
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@ -262,19 +267,17 @@ end subroutine vacancy_generation_init
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!--------------------------------------------------------------------------------------------------
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!> @brief sets the relevant NEW state values for a given instance of this vacancy model
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!--------------------------------------------------------------------------------------------------
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subroutine vacancy_generation_stateInit(phase,instance)
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subroutine vacancy_generation_stateInit(phase)
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use material, only: &
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vacancyState
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use lattice, only: &
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lattice_equilibriumVacancyConcentration
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implicit none
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integer(pInt), intent(in) :: instance !< number specifying the instance of the vacancy
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integer(pInt), intent(in) :: phase !< number specifying the phase of the vacancy
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real(pReal), dimension(vacancyState(phase)%sizeState) :: tempState
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tempState(1) = lattice_equilibriumVacancyConcentration(phase)
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tempState = lattice_equilibriumVacancyConcentration(phase)
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vacancyState(phase)%state = spread(tempState,2,size(vacancyState(phase)%state(1,:)))
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vacancyState(phase)%state0 = vacancyState(phase)%state
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vacancyState(phase)%partionedState0 = vacancyState(phase)%state
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@ -293,7 +296,7 @@ subroutine vacancy_generation_aTolState(phase,instance)
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instance ! number specifying the current instance of the vacancy
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real(pReal), dimension(vacancyState(phase)%sizeState) :: tempTol
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tempTol = vacancy_generation_aTol
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tempTol = vacancy_generation_aTol(instance)
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vacancyState(phase)%aTolState = tempTol
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end subroutine vacancy_generation_aTolState
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@ -336,9 +339,9 @@ subroutine vacancy_generation_dotState(nSlip, accumulatedSlip, Tstar_v, Temperat
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vacancyState(phase)%dotState(1,constituent) = &
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vacancy_generation_freq(instance)* &
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exp(-(vacancy_generation_energy(instance) - vacancy_generation_C2(instance)*pressure)/ &
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exp(-(vacancy_generation_formationEnergy(instance) - vacancy_generation_stressCoeff(instance)*pressure)/ &
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(kB*Temperature)) + &
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sum(accumulatedSlip) * vacancy_generateFactorbyDislocation(instance) !< Induced by dislocation motion.
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sum(accumulatedSlip) * vacancy_generation_dislocationCoeff(instance) !< Induced by dislocation motion.
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end subroutine vacancy_generation_dotState
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@ -415,8 +418,7 @@ function vacancy_generation_getVacancyDiffusion33(nSlip,accumulatedSlip,temperat
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vacancy_generation_getVacancyDiffusion33 = &
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lattice_VacancyDiffusion33(1:3,1:3,phase)* &
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(1.0_pReal + vacancy_generation_C2(instance)*sum(accumulatedSlip))* &
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exp(-vacancy_generation_energy(instance)/(kB*temperature))
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exp(-vacancy_generation_diffusionEnergy(instance)/(kB*temperature))
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end function vacancy_generation_getVacancyDiffusion33
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