- densityThe logarithmic of the accelerated density.
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:The logarithmic of the accelerated density.
- position_unitsUnits of position.
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Units of position.
- variableThe name of the variable that this residual object operates on
C++ Type:NonlinearVariableName
Unit:(no unit assumed)
Controllable:No
Description:The name of the variable that this residual object operates on
CoeffDiffusionForShootMethod
The derivative of the generic diffusion term used to calculate the sensitivity value for the shoothing method.(Densities must be in logarithmic form)
Overview
CoeffDiffusionForShootMethod is the derivative of the generic diffusion term CoeffDiffusion used to calculate the sensitivity value for the shoothing method. For more information on the implementation of the shoothing method within Zapdos, please reference ShootMethodLog.
Example Input File Syntax
An example of how to use CoeffDiffusionForShootMethod can be found in the test file Acceleration_By_Shooting_Method_SensitivityMatrix.i.
[Kernels]
[SM_Ar*_diffusion]
type = CoeffDiffusionForShootMethod
variable = SMDeriv
density = Ar*
position_units = ${dom0Scale}
[]
[]
Input Parameters
- blockThe list of blocks (ids or names) that this object will be applied
C++ Type:std::vector<SubdomainName>
Unit:(no unit assumed)
Controllable:No
Description:The list of blocks (ids or names) that this object will be applied
- displacementsThe displacements
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:The displacements
- prop_getter_suffixAn optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.
C++ Type:MaterialPropertyName
Unit:(no unit assumed)
Controllable:No
Description:An optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.
- use_interpolated_stateFalseFor the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.
Default:False
C++ Type:bool
Unit:(no unit assumed)
Controllable:No
Description:For the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.
Optional Parameters
- absolute_value_vector_tagsThe tags for the vectors this residual object should fill with the absolute value of the residual contribution
C++ Type:std::vector<TagName>
Unit:(no unit assumed)
Controllable:No
Description:The tags for the vectors this residual object should fill with the absolute value of the residual contribution
- extra_matrix_tagsThe extra tags for the matrices this Kernel should fill
C++ Type:std::vector<TagName>
Unit:(no unit assumed)
Controllable:No
Description:The extra tags for the matrices this Kernel should fill
- extra_vector_tagsThe extra tags for the vectors this Kernel should fill
C++ Type:std::vector<TagName>
Unit:(no unit assumed)
Controllable:No
Description:The extra tags for the vectors this Kernel should fill
- matrix_tagssystemThe tag for the matrices this Kernel should fill
Default:system
C++ Type:MultiMooseEnum
Unit:(no unit assumed)
Options:nontime, system
Controllable:No
Description:The tag for the matrices this Kernel should fill
- vector_tagsnontimeThe tag for the vectors this Kernel should fill
Default:nontime
C++ Type:MultiMooseEnum
Unit:(no unit assumed)
Options:nontime, time
Controllable:No
Description:The tag for the vectors this Kernel should fill
Tagging Parameters
- control_tagsAdds user-defined labels for accessing object parameters via control logic.
C++ Type:std::vector<std::string>
Unit:(no unit assumed)
Controllable:No
Description:Adds user-defined labels for accessing object parameters via control logic.
- diag_save_inThe name of auxiliary variables to save this Kernel's diagonal Jacobian contributions to. Everything about that variable must match everything about this variable (the type, what blocks it's on, etc.)
C++ Type:std::vector<AuxVariableName>
Unit:(no unit assumed)
Controllable:No
Description:The name of auxiliary variables to save this Kernel's diagonal Jacobian contributions to. Everything about that variable must match everything about this variable (the type, what blocks it's on, etc.)
- enableTrueSet the enabled status of the MooseObject.
Default:True
C++ Type:bool
Unit:(no unit assumed)
Controllable:Yes
Description:Set the enabled status of the MooseObject.
- implicitTrueDetermines whether this object is calculated using an implicit or explicit form
Default:True
C++ Type:bool
Unit:(no unit assumed)
Controllable:No
Description:Determines whether this object is calculated using an implicit or explicit form
- save_inThe name of auxiliary variables to save this Kernel's residual contributions to. Everything about that variable must match everything about this variable (the type, what blocks it's on, etc.)
C++ Type:std::vector<AuxVariableName>
Unit:(no unit assumed)
Controllable:No
Description:The name of auxiliary variables to save this Kernel's residual contributions to. Everything about that variable must match everything about this variable (the type, what blocks it's on, etc.)
- seed0The seed for the master random number generator
Default:0
C++ Type:unsigned int
Unit:(no unit assumed)
Controllable:No
Description:The seed for the master random number generator
- use_displaced_meshFalseWhether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.
Default:False
C++ Type:bool
Unit:(no unit assumed)
Controllable:No
Description:Whether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.
Advanced Parameters
Input Files
(test/tests/accelerations/Acceleration_By_Shooting_Method_SensitivityMatrix.i)
dom0Scale = 25.4e-3
[GlobalParams]
potential_units = kV
use_moles = true
[]
[Mesh]
[file]
type = FileMeshGenerator
file = 'Lymberopoulos_paper.msh'
[]
[left]
type = SideSetsFromNormalsGenerator
normals = '-1 0 0'
new_boundary = 'left'
input = file
[]
[right]
type = SideSetsFromNormalsGenerator
normals = '1 0 0'
new_boundary = 'right'
input = left
[]
[]
[Problem]
type = FEProblem
[]
[Variables]
[em]
[]
[Ar+]
[]
[Ar*]
[]
[mean_en]
[]
[potential]
[]
[SMDeriv]
[]
[]
[Kernels]
#Electron Equations (Same as in paper)
#Time Derivative term of electron
[em_time_deriv]
type = ElectronTimeDerivative
variable = em
[]
#Advection term of electron
[em_advection]
type = EFieldAdvection
variable = em
potential = potential
position_units = ${dom0Scale}
[]
#Diffusion term of electrons
[em_diffusion]
type = CoeffDiffusion
variable = em
position_units = ${dom0Scale}
[]
#Net electron production from ionization
[em_ionization]
type = ADEEDFReactionLog
variable = em
electrons = em
target = Ar
reaction = 'em + Ar -> em + em + Ar+'
coefficient = 1
[]
#Net electron production from step-wise ionization
[em_stepwise_ionization]
type = ADEEDFReactionLog
variable = em
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
coefficient = 1
[]
#Net electron production from metastable pooling
[em_pooling]
type = ADReactionSecondOrderLog
variable = em
v = Ar*
w = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
coefficient = 1
[]
#Argon Ion Equations (Same as in paper)
#Time Derivative term of the ions
[Ar+_time_deriv]
type = ElectronTimeDerivative
variable = Ar+
[]
#Advection term of ions
[Ar+_advection]
type = EFieldAdvection
variable = Ar+
potential = potential
position_units = ${dom0Scale}
[]
[Ar+_diffusion]
type = CoeffDiffusion
variable = Ar+
position_units = ${dom0Scale}
[]
#Net ion production from ionization
[Ar+_ionization]
type = ADEEDFReactionLog
variable = Ar+
electrons = em
target = Ar
reaction = 'em + Ar -> em + em + Ar+'
coefficient = 1
[]
#Net ion production from step-wise ionization
[Ar+_stepwise_ionization]
type = ADEEDFReactionLog
variable = Ar+
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
coefficient = 1
[]
#Net ion production from metastable pooling
[Ar+_pooling]
type = ADReactionSecondOrderLog
variable = Ar+
v = Ar*
w = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
coefficient = 1
[]
#Argon Excited Equations (Same as in paper)
#Time Derivative term of excited Argon
[Ar*_time_deriv]
type = ElectronTimeDerivative
variable = Ar*
[]
#Diffusion term of excited Argon
[Ar*_diffusion]
type = CoeffDiffusion
variable = Ar*
position_units = ${dom0Scale}
[]
#Net excited Argon production from excitation
[Ar*_excitation]
type = ADEEDFReactionLog
variable = Ar*
electrons = em
target = Ar
reaction = 'em + Ar -> em + Ar*'
coefficient = 1
[]
#Net excited Argon loss from step-wise ionization
[Ar*_stepwise_ionization]
type = ADEEDFReactionLog
variable = Ar*
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
coefficient = -1
[]
#Net excited Argon loss from superelastic collisions
[Ar*_collisions]
type = ADEEDFReactionLog
variable = Ar*
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + Ar'
coefficient = -1
[]
#Net excited Argon loss from quenching to resonant
[Ar*_quenching]
type = ADEEDFReactionLog
variable = Ar*
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + Ar_r'
coefficient = -1
[]
#Net excited Argon loss from metastable pooling
[Ar*_pooling]
type = ADReactionSecondOrderLog
variable = Ar*
v = Ar*
w = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
coefficient = -2
_v_eq_u = true
_w_eq_u = true
[]
#Net excited Argon loss from two-body quenching
[Ar*_2B_quenching]
type = ADReactionSecondOrderLog
variable = Ar*
v = Ar*
w = Ar
reaction = 'Ar* + Ar -> Ar + Ar'
coefficient = -1
_v_eq_u = true
[]
#Net excited Argon loss from three-body quenching
[Ar*_3B_quenching]
type = ADReactionThirdOrderLog
variable = Ar*
v = Ar*
w = Ar
x = Ar
reaction = 'Ar* + Ar + Ar -> Ar_2 + Ar'
coefficient = -1
_v_eq_u = true
[]
#Voltage Equations (Same as in paper)
#Voltage term in Poissons Eqaution
[potential_diffusion_dom0]
type = CoeffDiffusionLin
variable = potential
position_units = ${dom0Scale}
[]
#Ion term in Poissons Equation
[Ar+_charge_source]
type = ChargeSourceMoles_KV
variable = potential
charged = Ar+
[]
#Electron term in Poissons Equation
[em_charge_source]
type = ChargeSourceMoles_KV
variable = potential
charged = em
[]
#Since the paper uses electron temperature as a variable, the energy equation is in
#a different form but should be the same physics
#Time Derivative term of electron energy
[mean_en_time_deriv]
type = ElectronTimeDerivative
variable = mean_en
[]
#Advection term of electron energy
[mean_en_advection]
type = EFieldAdvection
variable = mean_en
potential = potential
position_units = ${dom0Scale}
[]
#Diffusion term of electrons energy
[mean_en_diffusion]
type = CoeffDiffusion
variable = mean_en
position_units = ${dom0Scale}
[]
#Joule Heating term
[mean_en_joule_heating]
type = JouleHeating
variable = mean_en
potential = potential
em = em
position_units = ${dom0Scale}
[]
#Energy loss from ionization
[Ionization_Loss]
type = ADEEDFEnergyLog
variable = mean_en
electrons = em
target = Ar
reaction = 'em + Ar -> em + em + Ar+'
threshold_energy = -15.7
[]
#Energy loss from excitation
[Excitation_Loss]
type = ADEEDFEnergyLog
variable = mean_en
electrons = em
target = Ar
reaction = 'em + Ar -> em + Ar*'
threshold_energy = -11.56
[]
#Energy loss from step-wise ionization
[Stepwise_Ionization_Loss]
type = ADEEDFEnergyLog
variable = mean_en
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
threshold_energy = -4.14
[]
#Energy gain from superelastic collisions
[Collisions_Loss]
type = ADEEDFEnergyLog
variable = mean_en
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + Ar'
threshold_energy = 11.56
[]
#Argon Excited Equations For Shooting Method
#Time Derivative term of excited Argon
[SM_Ar*_time_deriv]
type = TimeDerivative
variable = SMDeriv
[]
#Diffusion term of excited Argon
[SM_Ar*_diffusion]
type = CoeffDiffusionForShootMethod
variable = SMDeriv
density = Ar*
position_units = ${dom0Scale}
[]
#Net excited Argon loss from step-wise ionization
[SM_Ar*_stepwise_ionization]
type = EEDFReactionLogForShootMethod
variable = SMDeriv
density = Ar*
electron = em
energy = mean_en
reaction = 'em + Ar* -> em + em + Ar+'
coefficient = -1
[]
#Net excited Argon loss from superelastic collisions
[SM_Ar*_collisions]
type = EEDFReactionLogForShootMethod
variable = SMDeriv
density = Ar*
electron = em
energy = mean_en
reaction = 'em + Ar* -> em + Ar'
coefficient = -1
[]
#Net excited Argon loss from quenching to resonant
[SM_Ar*_quenching]
type = ReactionSecondOrderLogForShootMethod
variable = SMDeriv
density = Ar*
v = em
reaction = 'em + Ar* -> em + Ar_r'
coefficient = -1
[]
#Net excited Argon loss from metastable pooling
[SM_Ar*_pooling]
type = ReactionSecondOrderLogForShootMethod
variable = SMDeriv
density = Ar*
v = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
coefficient = -2
[]
#Net excited Argon loss from two-body quenching
[SM_Ar*_2B_quenching]
type = ReactionSecondOrderLogForShootMethod
variable = SMDeriv
density = Ar*
v = Ar
reaction = 'Ar* + Ar -> Ar + Ar'
coefficient = -1
[]
#Net excited Argon loss from three-body quenching
[SM_Ar*_3B_quenching]
type = ReactionThirdOrderLogForShootMethod
variable = SMDeriv
density = Ar*
v = Ar
w = Ar
reaction = 'Ar* + Ar + Ar -> Ar_2 + Ar'
coefficient = -1
[]
[]
[AuxVariables]
[emDeBug]
[]
[Ar+_DeBug]
[]
[Ar*_DeBug]
[]
[mean_enDeBug]
[]
[Te]
order = CONSTANT
family = MONOMIAL
[]
[x]
order = CONSTANT
family = MONOMIAL
[]
[x_node]
[]
[rho]
order = CONSTANT
family = MONOMIAL
[]
[em_lin]
order = CONSTANT
family = MONOMIAL
[]
[Ar+_lin]
order = CONSTANT
family = MONOMIAL
[]
[Ar*_lin]
order = CONSTANT
family = MONOMIAL
[]
[Ar]
[]
[Efield]
order = CONSTANT
family = MONOMIAL
[]
[Current_em]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[Current_Ar]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[emRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[exRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[swRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[deexRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[quRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[poolRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[TwoBRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[ThreeBRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[]
[AuxKernels]
[emDeBug]
type = DebugResidualAux
variable = emDeBug
debug_variable = em
#execute_on = 'LINEAR NONLINEAR TIMESTEP_BEGIN'
[]
[Ar+_DeBug]
type = DebugResidualAux
variable = Ar+_DeBug
debug_variable = Ar+
#execute_on = 'LINEAR NONLINEAR TIMESTEP_BEGIN'
[]
[mean_enDeBug]
type = DebugResidualAux
variable = mean_enDeBug
debug_variable = mean_en
#execute_on = 'LINEAR NONLINEAR TIMESTEP_BEGIN'
[]
[Ar*_DeBug]
type = DebugResidualAux
variable = Ar*_DeBug
debug_variable = Ar*
#execute_on = 'LINEAR NONLINEAR TIMESTEP_BEGIN'
[]
[emRate]
type = ADProcRateForRateCoeff
variable = emRate
v = em
w = Ar
reaction = 'em + Ar -> em + em + Ar+'
[]
[exRate]
type = ADProcRateForRateCoeff
variable = exRate
v = em
w = Ar*
reaction = 'em + Ar -> em + Ar*'
[]
[swRate]
type = ADProcRateForRateCoeff
variable = swRate
v = em
w = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
[]
[deexRate]
type = ADProcRateForRateCoeff
variable = deexRate
v = em
w = Ar*
reaction = 'em + Ar* -> em + Ar'
[]
[quRate]
type = ADProcRateForRateCoeff
variable = quRate
v = em
w = Ar*
reaction = 'em + Ar* -> em + Ar_r'
[]
[poolRate]
type = ADProcRateForRateCoeff
variable = poolRate
v = Ar*
w = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
[]
[TwoBRate]
type = ADProcRateForRateCoeff
variable = TwoBRate
v = Ar*
w = Ar
reaction = 'Ar* + Ar -> Ar + Ar'
[]
[ThreeBRate]
type = ADProcRateForRateCoeffThreeBody
variable = ThreeBRate
v = Ar*
w = Ar
x = Ar
reaction = 'Ar* + Ar + Ar -> Ar_2 + Ar'
[]
[Te]
type = ElectronTemperature
variable = Te
electron_density = em
mean_en = mean_en
[]
[x_g]
type = Position
variable = x
position_units = ${dom0Scale}
[]
[x_ng]
type = Position
variable = x_node
position_units = ${dom0Scale}
[]
[em_lin]
type = DensityMoles
variable = em_lin
density_log = em
[]
[Ar+_lin]
type = DensityMoles
variable = Ar+_lin
density_log = Ar+
[]
[Ar*_lin]
type = DensityMoles
variable = Ar*_lin
density_log = Ar*
[]
[Ar_val]
type = ConstantAux
variable = Ar
# value = 3.22e22
value = -2.928623
execute_on = INITIAL
[]
[Efield_calc]
type = Efield
component = 0
potential = potential
variable = Efield
position_units = ${dom0Scale}
[]
[Current_em]
type = ADCurrent
potential = potential
density_log = em
variable = Current_em
art_diff = false
block = 0
position_units = ${dom0Scale}
[]
[Current_Ar]
type = ADCurrent
potential = potential
density_log = Ar+
variable = Current_Ar
art_diff = false
block = 0
position_units = ${dom0Scale}
[]
[]
[BCs]
#Voltage Boundary Condition, same as in paper
[potential_left]
type = FunctionDirichletBC
variable = potential
boundary = 'left'
function = potential_bc_func
preset = false
[]
[potential_dirichlet_right]
type = DirichletBC
variable = potential
boundary = 'right'
value = 0
preset = false
[]
#New Boundary conditions for electons, same as in paper
[em_physical_right]
type = LymberopoulosElectronBC
variable = em
boundary = 'right'
emission_coeffs = 0.01
#gamma = 1
ks = 1.19e5
#ks = 0.0
ions = Ar+
potential = potential
position_units = ${dom0Scale}
[]
[em_physical_left]
type = LymberopoulosElectronBC
variable = em
boundary = 'left'
emission_coeffs = 0.01
#gamma = 1
ks = 1.19e5
#ks = 0.0
ions = Ar+
potential = potential
position_units = ${dom0Scale}
[]
#New Boundary conditions for ions, should be the same as in paper
[Ar+_physical_right_advection]
type = LymberopoulosIonBC
variable = Ar+
potential = potential
boundary = 'right'
position_units = ${dom0Scale}
[]
[Ar+_physical_left_advection]
type = LymberopoulosIonBC
variable = Ar+
potential = potential
boundary = 'left'
position_units = ${dom0Scale}
[]
#New Boundary conditions for ions, should be the same as in paper
#(except the metastables are not set to zero, since Zapdos uses log form)
[Ar*_physical_right_diffusion]
type = LogDensityDirichletBC
variable = Ar*
boundary = 'right'
value = 1e-5
[]
[Ar*_physical_left_diffusion]
type = LogDensityDirichletBC
variable = Ar*
boundary = 'left'
value = 1e-5
[]
#New Boundary conditions for mean energy, should be the same as in paper
[mean_en_physical_right]
type = ElectronTemperatureDirichletBC
variable = mean_en
electrons = em
value = 0.5
boundary = 'right'
[]
[mean_en_physical_left]
type = ElectronTemperatureDirichletBC
variable = mean_en
electrons = em
value = 0.5
boundary = 'left'
[]
[]
[Functions]
[potential_bc_func]
type = ParsedFunction
expression = '0.100*sin(2*pi*13.56e6*t)'
[]
[]
[Materials]
[GasBasics]
type = GasElectronMoments
interp_trans_coeffs = false
interp_elastic_coeff = false
ramp_trans_coeffs = false
user_p_gas = 133.322
em = em
potential = potential
mean_en = mean_en
user_electron_mobility = 30.0
user_electron_diffusion_coeff = 119.8757763975
property_tables_file = Argon_reactions_paper_RateCoefficients/electron_moments.txt
[]
[gas_species_0]
type = ADHeavySpecies
heavy_species_name = Ar+
heavy_species_mass = 6.64e-26
heavy_species_charge = 1.0
mobility = 0.144409938
diffusivity = 6.428571e-3
[]
[gas_species_1]
type = ADHeavySpecies
heavy_species_name = Ar*
heavy_species_mass = 6.64e-26
heavy_species_charge = 0.0
diffusivity = 7.515528e-3
[]
[gas_species_2]
type = ADHeavySpecies
heavy_species_name = Ar
heavy_species_mass = 6.64e-26
heavy_species_charge = 0.0
[]
[reaction_0]
type = ADZapdosEEDFRateConstant
mean_energy = mean_en
property_file = 'Argon_reactions_paper_RateCoefficients/reaction_em + Ar -> em + Ar*.txt'
reaction = 'em + Ar -> em + Ar*'
electrons = em
[]
[reaction_1]
type = ADZapdosEEDFRateConstant
mean_energy = mean_en
property_file = 'Argon_reactions_paper_RateCoefficients/reaction_em + Ar -> em + em + Ar+.txt'
reaction = 'em + Ar -> em + em + Ar+'
electrons = em
[]
[reaction_2]
type = ADZapdosEEDFRateConstant
mean_energy = mean_en
property_file = 'Argon_reactions_paper_RateCoefficients/reaction_em + Ar* -> em + Ar.txt'
reaction = 'em + Ar* -> em + Ar'
electrons = em
[]
[reaction_3]
type = ADZapdosEEDFRateConstant
mean_energy = mean_en
property_file = 'Argon_reactions_paper_RateCoefficients/reaction_em + Ar* -> em + em + Ar+.txt'
reaction = 'em + Ar* -> em + em + Ar+'
electrons = em
[]
[reaction_4]
type = ADGenericRateConstant
reaction = 'em + Ar* -> em + Ar_r'
#reaction_rate_value = 2e-13
reaction_rate_value = 1.2044e11
[]
[reaction_5]
type = ADGenericRateConstant
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
#reaction_rate_value = 6.2e-16
reaction_rate_value = 373364000
[]
[reaction_6]
type = ADGenericRateConstant
reaction = 'Ar* + Ar -> Ar + Ar'
#reaction_rate_value = 3e-21
reaction_rate_value = 1806.6
[]
[reaction_7]
type = ADGenericRateConstant
reaction = 'Ar* + Ar + Ar -> Ar_2 + Ar'
#reaction_rate_value = 1.1e-43
reaction_rate_value = 39890.9324
[]
[]
#New postprocessor that calculates the inverse of the plasma frequency
[Postprocessors]
[InversePlasmaFreq]
type = PlasmaFrequencyInverse
variable = em
use_moles = true
execute_on = 'INITIAL TIMESTEP_BEGIN'
[]
[]
[Preconditioning]
active = 'smp'
[smp]
type = SMP
full = true
[]
[fdp]
type = FDP
full = true
[]
[]
[Executioner]
type = Transient
end_time = 73.74631268e-9
petsc_options = '-snes_converged_reason -snes_linesearch_monitor'
solve_type = NEWTON
petsc_options_iname = '-pc_type -pc_factor_shift_type -pc_factor_shift_amount -ksp_type -snes_linesearch_minlambda'
petsc_options_value = 'lu NONZERO 1.e-10 fgmres 1e-3'
nl_rel_tol = 1e-08
#nl_abs_tol = 7.6e-5 #Commit out do to test falure on Mac
dtmin = 1e-14
l_max_its = 20
scheme = bdf2
dt = 1e-9
[]
[Outputs]
perf_graph = true
[out]
type = Exodus
[]
[]
(test/tests/accelerations/Acceleration_By_Shooting_Method_SensitivityMatrix.i)
dom0Scale = 25.4e-3
[GlobalParams]
potential_units = kV
use_moles = true
[]
[Mesh]
[file]
type = FileMeshGenerator
file = 'Lymberopoulos_paper.msh'
[]
[left]
type = SideSetsFromNormalsGenerator
normals = '-1 0 0'
new_boundary = 'left'
input = file
[]
[right]
type = SideSetsFromNormalsGenerator
normals = '1 0 0'
new_boundary = 'right'
input = left
[]
[]
[Problem]
type = FEProblem
[]
[Variables]
[em]
[]
[Ar+]
[]
[Ar*]
[]
[mean_en]
[]
[potential]
[]
[SMDeriv]
[]
[]
[Kernels]
#Electron Equations (Same as in paper)
#Time Derivative term of electron
[em_time_deriv]
type = ElectronTimeDerivative
variable = em
[]
#Advection term of electron
[em_advection]
type = EFieldAdvection
variable = em
potential = potential
position_units = ${dom0Scale}
[]
#Diffusion term of electrons
[em_diffusion]
type = CoeffDiffusion
variable = em
position_units = ${dom0Scale}
[]
#Net electron production from ionization
[em_ionization]
type = ADEEDFReactionLog
variable = em
electrons = em
target = Ar
reaction = 'em + Ar -> em + em + Ar+'
coefficient = 1
[]
#Net electron production from step-wise ionization
[em_stepwise_ionization]
type = ADEEDFReactionLog
variable = em
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
coefficient = 1
[]
#Net electron production from metastable pooling
[em_pooling]
type = ADReactionSecondOrderLog
variable = em
v = Ar*
w = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
coefficient = 1
[]
#Argon Ion Equations (Same as in paper)
#Time Derivative term of the ions
[Ar+_time_deriv]
type = ElectronTimeDerivative
variable = Ar+
[]
#Advection term of ions
[Ar+_advection]
type = EFieldAdvection
variable = Ar+
potential = potential
position_units = ${dom0Scale}
[]
[Ar+_diffusion]
type = CoeffDiffusion
variable = Ar+
position_units = ${dom0Scale}
[]
#Net ion production from ionization
[Ar+_ionization]
type = ADEEDFReactionLog
variable = Ar+
electrons = em
target = Ar
reaction = 'em + Ar -> em + em + Ar+'
coefficient = 1
[]
#Net ion production from step-wise ionization
[Ar+_stepwise_ionization]
type = ADEEDFReactionLog
variable = Ar+
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
coefficient = 1
[]
#Net ion production from metastable pooling
[Ar+_pooling]
type = ADReactionSecondOrderLog
variable = Ar+
v = Ar*
w = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
coefficient = 1
[]
#Argon Excited Equations (Same as in paper)
#Time Derivative term of excited Argon
[Ar*_time_deriv]
type = ElectronTimeDerivative
variable = Ar*
[]
#Diffusion term of excited Argon
[Ar*_diffusion]
type = CoeffDiffusion
variable = Ar*
position_units = ${dom0Scale}
[]
#Net excited Argon production from excitation
[Ar*_excitation]
type = ADEEDFReactionLog
variable = Ar*
electrons = em
target = Ar
reaction = 'em + Ar -> em + Ar*'
coefficient = 1
[]
#Net excited Argon loss from step-wise ionization
[Ar*_stepwise_ionization]
type = ADEEDFReactionLog
variable = Ar*
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
coefficient = -1
[]
#Net excited Argon loss from superelastic collisions
[Ar*_collisions]
type = ADEEDFReactionLog
variable = Ar*
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + Ar'
coefficient = -1
[]
#Net excited Argon loss from quenching to resonant
[Ar*_quenching]
type = ADEEDFReactionLog
variable = Ar*
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + Ar_r'
coefficient = -1
[]
#Net excited Argon loss from metastable pooling
[Ar*_pooling]
type = ADReactionSecondOrderLog
variable = Ar*
v = Ar*
w = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
coefficient = -2
_v_eq_u = true
_w_eq_u = true
[]
#Net excited Argon loss from two-body quenching
[Ar*_2B_quenching]
type = ADReactionSecondOrderLog
variable = Ar*
v = Ar*
w = Ar
reaction = 'Ar* + Ar -> Ar + Ar'
coefficient = -1
_v_eq_u = true
[]
#Net excited Argon loss from three-body quenching
[Ar*_3B_quenching]
type = ADReactionThirdOrderLog
variable = Ar*
v = Ar*
w = Ar
x = Ar
reaction = 'Ar* + Ar + Ar -> Ar_2 + Ar'
coefficient = -1
_v_eq_u = true
[]
#Voltage Equations (Same as in paper)
#Voltage term in Poissons Eqaution
[potential_diffusion_dom0]
type = CoeffDiffusionLin
variable = potential
position_units = ${dom0Scale}
[]
#Ion term in Poissons Equation
[Ar+_charge_source]
type = ChargeSourceMoles_KV
variable = potential
charged = Ar+
[]
#Electron term in Poissons Equation
[em_charge_source]
type = ChargeSourceMoles_KV
variable = potential
charged = em
[]
#Since the paper uses electron temperature as a variable, the energy equation is in
#a different form but should be the same physics
#Time Derivative term of electron energy
[mean_en_time_deriv]
type = ElectronTimeDerivative
variable = mean_en
[]
#Advection term of electron energy
[mean_en_advection]
type = EFieldAdvection
variable = mean_en
potential = potential
position_units = ${dom0Scale}
[]
#Diffusion term of electrons energy
[mean_en_diffusion]
type = CoeffDiffusion
variable = mean_en
position_units = ${dom0Scale}
[]
#Joule Heating term
[mean_en_joule_heating]
type = JouleHeating
variable = mean_en
potential = potential
em = em
position_units = ${dom0Scale}
[]
#Energy loss from ionization
[Ionization_Loss]
type = ADEEDFEnergyLog
variable = mean_en
electrons = em
target = Ar
reaction = 'em + Ar -> em + em + Ar+'
threshold_energy = -15.7
[]
#Energy loss from excitation
[Excitation_Loss]
type = ADEEDFEnergyLog
variable = mean_en
electrons = em
target = Ar
reaction = 'em + Ar -> em + Ar*'
threshold_energy = -11.56
[]
#Energy loss from step-wise ionization
[Stepwise_Ionization_Loss]
type = ADEEDFEnergyLog
variable = mean_en
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
threshold_energy = -4.14
[]
#Energy gain from superelastic collisions
[Collisions_Loss]
type = ADEEDFEnergyLog
variable = mean_en
electrons = em
target = Ar*
reaction = 'em + Ar* -> em + Ar'
threshold_energy = 11.56
[]
#Argon Excited Equations For Shooting Method
#Time Derivative term of excited Argon
[SM_Ar*_time_deriv]
type = TimeDerivative
variable = SMDeriv
[]
#Diffusion term of excited Argon
[SM_Ar*_diffusion]
type = CoeffDiffusionForShootMethod
variable = SMDeriv
density = Ar*
position_units = ${dom0Scale}
[]
#Net excited Argon loss from step-wise ionization
[SM_Ar*_stepwise_ionization]
type = EEDFReactionLogForShootMethod
variable = SMDeriv
density = Ar*
electron = em
energy = mean_en
reaction = 'em + Ar* -> em + em + Ar+'
coefficient = -1
[]
#Net excited Argon loss from superelastic collisions
[SM_Ar*_collisions]
type = EEDFReactionLogForShootMethod
variable = SMDeriv
density = Ar*
electron = em
energy = mean_en
reaction = 'em + Ar* -> em + Ar'
coefficient = -1
[]
#Net excited Argon loss from quenching to resonant
[SM_Ar*_quenching]
type = ReactionSecondOrderLogForShootMethod
variable = SMDeriv
density = Ar*
v = em
reaction = 'em + Ar* -> em + Ar_r'
coefficient = -1
[]
#Net excited Argon loss from metastable pooling
[SM_Ar*_pooling]
type = ReactionSecondOrderLogForShootMethod
variable = SMDeriv
density = Ar*
v = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
coefficient = -2
[]
#Net excited Argon loss from two-body quenching
[SM_Ar*_2B_quenching]
type = ReactionSecondOrderLogForShootMethod
variable = SMDeriv
density = Ar*
v = Ar
reaction = 'Ar* + Ar -> Ar + Ar'
coefficient = -1
[]
#Net excited Argon loss from three-body quenching
[SM_Ar*_3B_quenching]
type = ReactionThirdOrderLogForShootMethod
variable = SMDeriv
density = Ar*
v = Ar
w = Ar
reaction = 'Ar* + Ar + Ar -> Ar_2 + Ar'
coefficient = -1
[]
[]
[AuxVariables]
[emDeBug]
[]
[Ar+_DeBug]
[]
[Ar*_DeBug]
[]
[mean_enDeBug]
[]
[Te]
order = CONSTANT
family = MONOMIAL
[]
[x]
order = CONSTANT
family = MONOMIAL
[]
[x_node]
[]
[rho]
order = CONSTANT
family = MONOMIAL
[]
[em_lin]
order = CONSTANT
family = MONOMIAL
[]
[Ar+_lin]
order = CONSTANT
family = MONOMIAL
[]
[Ar*_lin]
order = CONSTANT
family = MONOMIAL
[]
[Ar]
[]
[Efield]
order = CONSTANT
family = MONOMIAL
[]
[Current_em]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[Current_Ar]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[emRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[exRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[swRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[deexRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[quRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[poolRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[TwoBRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[ThreeBRate]
order = CONSTANT
family = MONOMIAL
block = 0
[]
[]
[AuxKernels]
[emDeBug]
type = DebugResidualAux
variable = emDeBug
debug_variable = em
#execute_on = 'LINEAR NONLINEAR TIMESTEP_BEGIN'
[]
[Ar+_DeBug]
type = DebugResidualAux
variable = Ar+_DeBug
debug_variable = Ar+
#execute_on = 'LINEAR NONLINEAR TIMESTEP_BEGIN'
[]
[mean_enDeBug]
type = DebugResidualAux
variable = mean_enDeBug
debug_variable = mean_en
#execute_on = 'LINEAR NONLINEAR TIMESTEP_BEGIN'
[]
[Ar*_DeBug]
type = DebugResidualAux
variable = Ar*_DeBug
debug_variable = Ar*
#execute_on = 'LINEAR NONLINEAR TIMESTEP_BEGIN'
[]
[emRate]
type = ADProcRateForRateCoeff
variable = emRate
v = em
w = Ar
reaction = 'em + Ar -> em + em + Ar+'
[]
[exRate]
type = ADProcRateForRateCoeff
variable = exRate
v = em
w = Ar*
reaction = 'em + Ar -> em + Ar*'
[]
[swRate]
type = ADProcRateForRateCoeff
variable = swRate
v = em
w = Ar*
reaction = 'em + Ar* -> em + em + Ar+'
[]
[deexRate]
type = ADProcRateForRateCoeff
variable = deexRate
v = em
w = Ar*
reaction = 'em + Ar* -> em + Ar'
[]
[quRate]
type = ADProcRateForRateCoeff
variable = quRate
v = em
w = Ar*
reaction = 'em + Ar* -> em + Ar_r'
[]
[poolRate]
type = ADProcRateForRateCoeff
variable = poolRate
v = Ar*
w = Ar*
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
[]
[TwoBRate]
type = ADProcRateForRateCoeff
variable = TwoBRate
v = Ar*
w = Ar
reaction = 'Ar* + Ar -> Ar + Ar'
[]
[ThreeBRate]
type = ADProcRateForRateCoeffThreeBody
variable = ThreeBRate
v = Ar*
w = Ar
x = Ar
reaction = 'Ar* + Ar + Ar -> Ar_2 + Ar'
[]
[Te]
type = ElectronTemperature
variable = Te
electron_density = em
mean_en = mean_en
[]
[x_g]
type = Position
variable = x
position_units = ${dom0Scale}
[]
[x_ng]
type = Position
variable = x_node
position_units = ${dom0Scale}
[]
[em_lin]
type = DensityMoles
variable = em_lin
density_log = em
[]
[Ar+_lin]
type = DensityMoles
variable = Ar+_lin
density_log = Ar+
[]
[Ar*_lin]
type = DensityMoles
variable = Ar*_lin
density_log = Ar*
[]
[Ar_val]
type = ConstantAux
variable = Ar
# value = 3.22e22
value = -2.928623
execute_on = INITIAL
[]
[Efield_calc]
type = Efield
component = 0
potential = potential
variable = Efield
position_units = ${dom0Scale}
[]
[Current_em]
type = ADCurrent
potential = potential
density_log = em
variable = Current_em
art_diff = false
block = 0
position_units = ${dom0Scale}
[]
[Current_Ar]
type = ADCurrent
potential = potential
density_log = Ar+
variable = Current_Ar
art_diff = false
block = 0
position_units = ${dom0Scale}
[]
[]
[BCs]
#Voltage Boundary Condition, same as in paper
[potential_left]
type = FunctionDirichletBC
variable = potential
boundary = 'left'
function = potential_bc_func
preset = false
[]
[potential_dirichlet_right]
type = DirichletBC
variable = potential
boundary = 'right'
value = 0
preset = false
[]
#New Boundary conditions for electons, same as in paper
[em_physical_right]
type = LymberopoulosElectronBC
variable = em
boundary = 'right'
emission_coeffs = 0.01
#gamma = 1
ks = 1.19e5
#ks = 0.0
ions = Ar+
potential = potential
position_units = ${dom0Scale}
[]
[em_physical_left]
type = LymberopoulosElectronBC
variable = em
boundary = 'left'
emission_coeffs = 0.01
#gamma = 1
ks = 1.19e5
#ks = 0.0
ions = Ar+
potential = potential
position_units = ${dom0Scale}
[]
#New Boundary conditions for ions, should be the same as in paper
[Ar+_physical_right_advection]
type = LymberopoulosIonBC
variable = Ar+
potential = potential
boundary = 'right'
position_units = ${dom0Scale}
[]
[Ar+_physical_left_advection]
type = LymberopoulosIonBC
variable = Ar+
potential = potential
boundary = 'left'
position_units = ${dom0Scale}
[]
#New Boundary conditions for ions, should be the same as in paper
#(except the metastables are not set to zero, since Zapdos uses log form)
[Ar*_physical_right_diffusion]
type = LogDensityDirichletBC
variable = Ar*
boundary = 'right'
value = 1e-5
[]
[Ar*_physical_left_diffusion]
type = LogDensityDirichletBC
variable = Ar*
boundary = 'left'
value = 1e-5
[]
#New Boundary conditions for mean energy, should be the same as in paper
[mean_en_physical_right]
type = ElectronTemperatureDirichletBC
variable = mean_en
electrons = em
value = 0.5
boundary = 'right'
[]
[mean_en_physical_left]
type = ElectronTemperatureDirichletBC
variable = mean_en
electrons = em
value = 0.5
boundary = 'left'
[]
[]
[Functions]
[potential_bc_func]
type = ParsedFunction
expression = '0.100*sin(2*pi*13.56e6*t)'
[]
[]
[Materials]
[GasBasics]
type = GasElectronMoments
interp_trans_coeffs = false
interp_elastic_coeff = false
ramp_trans_coeffs = false
user_p_gas = 133.322
em = em
potential = potential
mean_en = mean_en
user_electron_mobility = 30.0
user_electron_diffusion_coeff = 119.8757763975
property_tables_file = Argon_reactions_paper_RateCoefficients/electron_moments.txt
[]
[gas_species_0]
type = ADHeavySpecies
heavy_species_name = Ar+
heavy_species_mass = 6.64e-26
heavy_species_charge = 1.0
mobility = 0.144409938
diffusivity = 6.428571e-3
[]
[gas_species_1]
type = ADHeavySpecies
heavy_species_name = Ar*
heavy_species_mass = 6.64e-26
heavy_species_charge = 0.0
diffusivity = 7.515528e-3
[]
[gas_species_2]
type = ADHeavySpecies
heavy_species_name = Ar
heavy_species_mass = 6.64e-26
heavy_species_charge = 0.0
[]
[reaction_0]
type = ADZapdosEEDFRateConstant
mean_energy = mean_en
property_file = 'Argon_reactions_paper_RateCoefficients/reaction_em + Ar -> em + Ar*.txt'
reaction = 'em + Ar -> em + Ar*'
electrons = em
[]
[reaction_1]
type = ADZapdosEEDFRateConstant
mean_energy = mean_en
property_file = 'Argon_reactions_paper_RateCoefficients/reaction_em + Ar -> em + em + Ar+.txt'
reaction = 'em + Ar -> em + em + Ar+'
electrons = em
[]
[reaction_2]
type = ADZapdosEEDFRateConstant
mean_energy = mean_en
property_file = 'Argon_reactions_paper_RateCoefficients/reaction_em + Ar* -> em + Ar.txt'
reaction = 'em + Ar* -> em + Ar'
electrons = em
[]
[reaction_3]
type = ADZapdosEEDFRateConstant
mean_energy = mean_en
property_file = 'Argon_reactions_paper_RateCoefficients/reaction_em + Ar* -> em + em + Ar+.txt'
reaction = 'em + Ar* -> em + em + Ar+'
electrons = em
[]
[reaction_4]
type = ADGenericRateConstant
reaction = 'em + Ar* -> em + Ar_r'
#reaction_rate_value = 2e-13
reaction_rate_value = 1.2044e11
[]
[reaction_5]
type = ADGenericRateConstant
reaction = 'Ar* + Ar* -> Ar+ + Ar + em'
#reaction_rate_value = 6.2e-16
reaction_rate_value = 373364000
[]
[reaction_6]
type = ADGenericRateConstant
reaction = 'Ar* + Ar -> Ar + Ar'
#reaction_rate_value = 3e-21
reaction_rate_value = 1806.6
[]
[reaction_7]
type = ADGenericRateConstant
reaction = 'Ar* + Ar + Ar -> Ar_2 + Ar'
#reaction_rate_value = 1.1e-43
reaction_rate_value = 39890.9324
[]
[]
#New postprocessor that calculates the inverse of the plasma frequency
[Postprocessors]
[InversePlasmaFreq]
type = PlasmaFrequencyInverse
variable = em
use_moles = true
execute_on = 'INITIAL TIMESTEP_BEGIN'
[]
[]
[Preconditioning]
active = 'smp'
[smp]
type = SMP
full = true
[]
[fdp]
type = FDP
full = true
[]
[]
[Executioner]
type = Transient
end_time = 73.74631268e-9
petsc_options = '-snes_converged_reason -snes_linesearch_monitor'
solve_type = NEWTON
petsc_options_iname = '-pc_type -pc_factor_shift_type -pc_factor_shift_amount -ksp_type -snes_linesearch_minlambda'
petsc_options_value = 'lu NONZERO 1.e-10 fgmres 1e-3'
nl_rel_tol = 1e-08
#nl_abs_tol = 7.6e-5 #Commit out do to test falure on Mac
dtmin = 1e-14
l_max_its = 20
scheme = bdf2
dt = 1e-9
[]
[Outputs]
perf_graph = true
[out]
type = Exodus
[]
[]