Boltzmann equation solver for the electron energy distribution function based on the two-term approximation. More...
#include <EEDFTwoTermApproximation.h>
Boltzmann equation solver for the electron energy distribution function based on the two-term approximation.
This class implements a solver for the electron energy distribution function based on a steady-state solution to the Boltzmann equation using the classical two-term expansion, applicable to weakly ionized plasmas. The numerical approach and theory are primarily derived from the work of Hagelaar and Pitchford [14].
The two-term approximation assumes that the EEDF can be represented as:
\[ f(\epsilon, \mu) = f_0(\epsilon) + \mu f_1(\epsilon), \]
where \( \epsilon \) is the electron energy and \( \mu \) is the cosine of the angle between the electron velocity vector and the electric field. The Boltzmann equation is projected onto the zeroth moment over mu to obtain an equation for \( f_0(\epsilon) \) , the isotropic part of the distribution. The first-order anisotropic term \( f_1(\epsilon) \) is not solved directly, but is approximated and substituted into the drift and collision terms. This results in a second-order differential equation for \( f_0(\epsilon) \) alone.
The governing equation for \( f_0(\epsilon) \) is discretized on an energy grid using a finite difference method and solved using a tridiagonal matrix algorithm.
Definition at line 48 of file EEDFTwoTermApproximation.h.
Public Member Functions | |
| EEDFTwoTermApproximation (PlasmaPhase *s) | |
| Constructor combined with the initialization function. | |
| int | calculateDistributionFunction () |
| compute the EEDF given an electric field CQM The solver will take the species to consider and the set of cross-sections from the PlasmaPhase object. | |
| void | setLinearGrid (double kTe_max, size_t ncell) |
| Sets a linear energy grid for the EEDF solver, defined by the maximum energy and the number of grid cells. | |
| void | setQuadraticGrid (double kTe_max, size_t ncell) |
| Sets a quadratic energy grid for the EEDF solver, defined by the maximum energy and the number of grid cells. | |
| void | setGeometricGrid (double kTe_max, size_t ncell, double ratio=1.01) |
| Sets a geometric energy grid for the EEDF solver, defined by the maximum energy and the number of grid cells. | |
| void | setCustomGrid (span< const double > levels) |
| Sets a custom energy grid for the EEDF solver, defined by the user-provided vector of energy levels. | |
| void | setGridCache () |
| Build or rebuild the grid-dependent cache used for scattering matrices. | |
| void | setInitialGridParameters (double initialMaxEnergy, size_t nGridCells, const string &gridType) |
| Set the initial grid parameters used by generated EEDF grids. | |
| void | enableGridAdaptation (bool enabled) |
| Enable or disable automatic grid adaptation for the EEDF solver energy grid. | |
| void | setGridAdaptationParameters (double minDecayDecades, double maxDecayDecades, double updateFactor, size_t maxIterations, bool maxwellianReset) |
| Set parameters controlling automatic adaptation of the EEDF energy grid. | |
| span< const double > | getGridEdge () const |
| Return the electron energy grid edges [eV]. | |
| span< const double > | getEEDFEdge () const |
| Return the EEDF values interpolated at the electron energy grid edges. | |
| double | getElectronMobility () const |
| Return the latest value of the computed electron mobility computed from the EEDF. | |
| void | setReducedElectricFieldThresholdForMaxwellian (double threshold) |
| Sets the threshold in reduced electric field below which a Maxwellian is imposed instead of computing the EEDF. | |
Protected Member Functions | |
| void | converge (Eigen::VectorXd &f0) |
| Iterate f0 (EEDF) until convergence. | |
| Eigen::VectorXd | iterate (const Eigen::VectorXd &f0, double delta) |
| An iteration of solving electron energy distribution function. | |
| double | integralPQ (double a, double b, double u0, double u1, double g, double x0) |
| The integral in [a, b] of \(x u(x) \exp[g (x_0 - x)]\) assuming that u is linear with u(a) = u0 and u(b) = u1. | |
| vector< double > | vector_g (const Eigen::VectorXd &f0) |
| Vector g is used by matrix_P() and matrix_Q(). | |
| Eigen::SparseMatrix< double > | matrix_P (span< const double > g, size_t k) |
| The matrix of scattering-out. | |
| Eigen::SparseMatrix< double > | matrix_Q (span< const double > g, size_t k) |
| The matrix of scattering-in. | |
| Eigen::SparseMatrix< double > | matrix_A (const Eigen::VectorXd &f0) |
| Matrix A (Ax = b) of the equation of EEDF, which is discretized by the exponential scheme of Scharfetter and Gummel,. | |
| double | netProductionFrequency (const Eigen::VectorXd &f0) |
| Reduced net production frequency. | |
| double | electronDiffusivity (const Eigen::VectorXd &f0) |
| Diffusivity. | |
| double | electronMobility (const Eigen::VectorXd &f0) |
| Mobility. | |
| void | initSpeciesIndexCrossSections () |
| Initialize species indices associated with cross-section data. | |
| void | updateCrossSections () |
| Update the total cross sections based on the current state. | |
| void | updateMoleFractions () |
| Update the vector of species mole fractions. | |
| void | calculateTotalElasticCrossSection () |
| Compute the total elastic collision cross section. | |
| void | calculateTotalCrossSection () |
| Compute the total (elastic + inelastic) cross section. | |
| double | norm (const Eigen::VectorXd &f, const Eigen::VectorXd &grid) |
| Compute the L1 norm of a function f defined over a given energy grid. | |
| void | updateGrid (double maxEnergy) |
| Updates the grid according to the grid type and the new maximum energy when running grid adaptation. | |
| void | adaptEnergyGrid () |
| Runs the energy grid adaptation script when this feature is activated. | |
| void | setMaxwellianDistribution (double kTe) |
| Sets a Maxwellian distribution with the specified electron temperature [eV]. | |
| void | projectPreviousEEDFOnCurrentGrid (const Eigen::VectorXd &oldGridCenter, const Eigen::VectorXd &oldF0) |
| Projects a previously converged EEDF onto the current energy grid. | |
| double | linearInterpBounded (double x, span< const double > xpts, span< const double > fpts, double below_value, double above_value) |
| An extension of the linearInterp function that returns specified values when the input is out of bounds instead of returning one of the extremities of the list. | |
Protected Attributes | |
| double | m_delta0 = 1e14 |
| Formerly options for the EEDF solver. | |
| size_t | m_maxn = 200 |
| Maximum number of iterations. | |
| double | m_factorM = 4.0 |
| The factor for step size change. | |
| size_t | m_points = 150 |
| The number of points in the EEDF grid. | |
| double | m_rtol = 1e-5 |
| Error tolerance for convergence. | |
| std::string | m_growth = "temporal" |
| The growth model of EEDF. | |
| double | m_moleFractionThreshold = 0.01 |
| The threshold for species mole fractions. | |
| double | m_init_kTe = 2.0 |
| The initial electron temperature [eV]. | |
| PlasmaPhase * | m_phase |
| Pointer to the PlasmaPhase object used to initialize this object. | |
| double | m_electronMobility |
| Electron mobility [m²/V·s]. | |
| Eigen::VectorXd | m_gridCenter |
| Grid of electron energy (cell center) [eV]. | |
| vector< double > | m_gridEdge |
| Grid of electron energy (cell boundary i-1/2) [eV]. | |
| vector< vector< size_t > > | m_j |
| Location of cell j for grid cache. | |
| vector< vector< size_t > > | m_i |
| Location of cell i for grid cache. | |
| vector< vector< vector< double > > > | m_sigma |
| Cross section at the boundaries of the overlap of cell i and j. | |
| vector< vector< vector< double > > > | m_eps |
| The energy boundaries of the overlap of cell i and j. | |
| Eigen::VectorXd | m_f0 |
| Normalized electron energy distribution function. | |
| vector< double > | m_f0_edge |
| EEDF at grid edges (cell boundaries) | |
| vector< double > | m_totalCrossSectionCenter |
| Total electron cross section on the cell center of energy grid. | |
| vector< double > | m_totalCrossSectionEdge |
| Total electron cross section on the cell boundary (i-1/2) of energy grid. | |
| vector< double > | m_sigmaElastic |
| Vector of total elastic cross section weighted with mass ratio. | |
| vector< size_t > | m_kTargets |
| List of target species indices in global Cantera numbering (1 index per cs) | |
| vector< size_t > | m_klocTargets |
| List of target species indices in local X EEDF numbering (1 index per cs) | |
| vector< size_t > | m_kOthers |
| Indices of species which has no cross-section data. | |
| vector< size_t > | m_k_lg_Targets |
| Local to global indices. | |
| vector< double > | m_X_targets |
| Mole fraction of targets. | |
| vector< double > | m_X_targets_prev |
| Previous mole fraction of targets used to compute eedf. | |
| vector< int > | m_inFactor |
| In factor. | |
| double | m_gamma |
| Defined by the formula: pow(2.0 * ElectronCharge / ElectronMass, 0.5) and comupted during phase initialization. | |
| bool | m_has_EEDF |
| Flag of having an EEDF. | |
| bool | m_first_call |
| First call to calculateDistributionFunction. | |
| string | m_gridType = "linear" |
| Energy grid spacing type. Can be linear, quadratic or geometric. | |
| double | m_kTeMax = 60.0 |
| Maximum value of the energy grid [eV]. | |
| size_t | m_initialGridCells = 301 |
| Number of cells for the starting energy grid. | |
| bool | m_adaptGrid = false |
| Flag activating or deactivating automatic grid adaptation. | |
| double | m_minEedfDecay = 10 |
| Minimum amount of decades decay at the tail of the EEDF when grid adaptation is on. | |
| double | m_maxEedfDecay = 12.0 |
| Maximum amount of decades decay at the tail of the EEDF when grid adaptation is on. | |
| double | m_gridUpdateFactor = 0.1 |
| Factor by which the EEDF grid maximum energy is increased of shrunk when grid adaptation is on. | |
| size_t | m_maxGridAdaptIterations = 1000 |
| Maximum number of iterations on the maximum energy accepted for grid adaptation. | |
| double | m_thresholdToMaxwellian = 1 |
| The threshold in reduced electric field [townsend, Td] below which no EEDF will be computed, but a Maxwellian at the gas temperature will be imposed instead. | |
| double | m_geometricRatio = 1.01 |
| In the case where a geometric grid is employed, this stores the corresponding geometric ratio. | |
| bool | m_maxwellianReset = true |
| Boolean flag to reset the EEDF to a Maxwellian distribution at the gas temperature when the grid is adapted. | |
Constructor combined with the initialization function.
This constructor initializes the EEDFTwoTermApproximation object with everything it needs to start solving EEDF.
| s | PlasmaPhase object that will be used in the solver calls. |
Definition at line 23 of file EEDFTwoTermApproximation.cpp.
| int calculateDistributionFunction | ( | ) |
compute the EEDF given an electric field CQM The solver will take the species to consider and the set of cross-sections from the PlasmaPhase object.
It will write the EEDF and its grid into the PlasmaPhase object. Successful returns are indicated by a return value of 0.
Definition at line 176 of file EEDFTwoTermApproximation.cpp.
| void setLinearGrid | ( | double | kTe_max, |
| size_t | ncell | ||
| ) |
Sets a linear energy grid for the EEDF solver, defined by the maximum energy and the number of grid cells.
| kTe_max | maximum grid energy in eV |
| ncell | number of cell to discretize the grid. |
Definition at line 32 of file EEDFTwoTermApproximation.cpp.
| void setQuadraticGrid | ( | double | kTe_max, |
| size_t | ncell | ||
| ) |
Sets a quadratic energy grid for the EEDF solver, defined by the maximum energy and the number of grid cells.
| kTe_max | maximum grid energy in eV |
| ncell | number of cell to discretize the grid. |
Definition at line 48 of file EEDFTwoTermApproximation.cpp.
| void setGeometricGrid | ( | double | kTe_max, |
| size_t | ncell, | ||
| double | ratio = 1.01 |
||
| ) |
Sets a geometric energy grid for the EEDF solver, defined by the maximum energy and the number of grid cells.
| kTe_max | maximum grid energy in eV |
| ncell | number of cell to discretize the grid. |
| ratio | the geometric growth ratio. |
Definition at line 71 of file EEDFTwoTermApproximation.cpp.
| void setCustomGrid | ( | span< const double > | levels | ) |
Sets a custom energy grid for the EEDF solver, defined by the user-provided vector of energy levels.
Definition at line 141 of file EEDFTwoTermApproximation.cpp.
| void setGridCache | ( | ) |
Build or rebuild the grid-dependent cache used for scattering matrices.
Definition at line 772 of file EEDFTwoTermApproximation.cpp.
| void setInitialGridParameters | ( | double | initialMaxEnergy, |
| size_t | nGridCells, | ||
| const string & | gridType | ||
| ) |
Set the initial grid parameters used by generated EEDF grids.
These values are used when creating linear, quadratic, or geometric grids, and are also reused during grid adaptation.
| initialMaxEnergy | Maximum electron energy of the initial grid [eV]. |
| nGridCells | Number of grid cells. The number of grid edges is nGridCells + 1. |
| gridType | Type of grid spacing to use when generating or adapting the electron energy grid. Supported values are "linear", "quadratic", and "geometric". |
Definition at line 854 of file EEDFTwoTermApproximation.cpp.
| void enableGridAdaptation | ( | bool | enabled | ) |
Enable or disable automatic grid adaptation for the EEDF solver energy grid.
Definition at line 880 of file EEDFTwoTermApproximation.cpp.
| void setGridAdaptationParameters | ( | double | minDecayDecades, |
| double | maxDecayDecades, | ||
| double | updateFactor, | ||
| size_t | maxIterations, | ||
| bool | maxwellianReset | ||
| ) |
Set parameters controlling automatic adaptation of the EEDF energy grid.
Grid adaptation adjusts the maximum grid energy based on the number of decades by which the EEDF decays between the low- and high-energy ends of the grid. The number of grid cells is kept fixed.
| minDecayDecades | Minimum acceptable EEDF tail decay in decades. If the decay is smaller, the maximum grid energy is increased. |
| maxDecayDecades | Maximum acceptable EEDF tail decay in decades. If the decay is larger, the maximum grid energy is decreased. |
| updateFactor | Relative factor used to increase or decrease the maximum grid energy during adaptation. |
| maxIterations | Maximum number of grid adaptation iterations per EEDF solve. |
| maxwellianReset | Boolean flag to reset the EEDF to a Maxwellian distribution at the gas temperature when grid adaptation is activated. |
Definition at line 885 of file EEDFTwoTermApproximation.cpp.
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Return the electron energy grid edges [eV].
The returned span contains m_points + 1 values corresponding to cell boundaries.
Definition at line 148 of file EEDFTwoTermApproximation.h.
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Return the EEDF values interpolated at the electron energy grid edges.
These values are copied back to PlasmaPhase after a successful Boltzmann-two-term EEDF solve.
Definition at line 158 of file EEDFTwoTermApproximation.h.
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Return the latest value of the computed electron mobility computed from the EEDF.
Definition at line 164 of file EEDFTwoTermApproximation.h.
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Sets the threshold in reduced electric field below which a Maxwellian is imposed instead of computing the EEDF.
| threshold | The threshold in Td. |
Definition at line 171 of file EEDFTwoTermApproximation.h.
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Iterate f0 (EEDF) until convergence.
Definition at line 339 of file EEDFTwoTermApproximation.cpp.
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An iteration of solving electron energy distribution function.
Definition at line 378 of file EEDFTwoTermApproximation.cpp.
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The integral in [a, b] of \(x u(x) \exp[g (x_0 - x)]\) assuming that u is linear with u(a) = u0 and u(b) = u1.
Definition at line 429 of file EEDFTwoTermApproximation.cpp.
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Vector g is used by matrix_P() and matrix_Q().
\[ g_i = \frac{1}{\epsilon_{i+1} - \epsilon_{i-1}} \ln(\frac{F_{0, i+1}}{F_{0, i-1}}) \]
Definition at line 456 of file EEDFTwoTermApproximation.cpp.
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The matrix of scattering-out.
\[ P_{i,k} = \gamma \int_{\epsilon_i - 1/2}^{\epsilon_i + 1/2} \epsilon \sigma_k exp[(\epsilon_i - \epsilon)g_i] d \epsilon \]
Definition at line 481 of file EEDFTwoTermApproximation.cpp.
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The matrix of scattering-in.
\[ Q_{i,j,k} = \gamma \int_{\epsilon_1}^{\epsilon_2} \epsilon \sigma_k exp[(\epsilon_j - \epsilon)g_j] d \epsilon \]
where the interval \([\epsilon_1, \epsilon_2]\) is the overlap of cell j, and cell i shifted by the threshold energy:
\[ \epsilon_1 = \min(\max(\epsilon_{i-1/2}+u_k, \epsilon_{j-1/2}),\epsilon_{j+1/2}), \]
\[ \epsilon_2 = \min(\max(\epsilon_{i+1/2}+u_k, \epsilon_{j-1/2}),\epsilon_{j+1/2}) \]
Definition at line 500 of file EEDFTwoTermApproximation.cpp.
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Matrix A (Ax = b) of the equation of EEDF, which is discretized by the exponential scheme of Scharfetter and Gummel,.
\[ \left[ \tilde{W} F_0 - \tilde{D} \frac{d F_0}{\epsilon} \right]_{i+1/2} = \frac{\tilde{W}_{i+1/2} F_{0,i}}{1 - \exp[-z_{i+1/2}]} + \frac{\tilde{W}_{i+1/2} F_{0,i+1}}{1 - \exp[z_{i+1/2}]} \]
where \( z_{i+1/2} = \tilde{w}_{i+1/2} / \tilde{D}_{i+1/2} \) (Peclet number).
Definition at line 520 of file EEDFTwoTermApproximation.cpp.
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Reduced net production frequency.
Equation (10) of ref. [1] divided by N.
| f0 | EEDF |
Definition at line 617 of file EEDFTwoTermApproximation.cpp.
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Diffusivity.
Definition at line 636 of file EEDFTwoTermApproximation.cpp.
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Mobility.
Definition at line 652 of file EEDFTwoTermApproximation.cpp.
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Initialize species indices associated with cross-section data.
Definition at line 668 of file EEDFTwoTermApproximation.cpp.
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Update the total cross sections based on the current state.
Definition at line 714 of file EEDFTwoTermApproximation.cpp.
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Update the vector of species mole fractions.
Definition at line 722 of file EEDFTwoTermApproximation.cpp.
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Compute the total elastic collision cross section.
Definition at line 755 of file EEDFTwoTermApproximation.cpp.
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Compute the total (elastic + inelastic) cross section.
Definition at line 736 of file EEDFTwoTermApproximation.cpp.
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Compute the L1 norm of a function f defined over a given energy grid.
| f | Vector representing the function values (EEDF) |
| grid | Vector representing the energy grid corresponding to f |
Definition at line 844 of file EEDFTwoTermApproximation.cpp.
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Updates the grid according to the grid type and the new maximum energy when running grid adaptation.
Definition at line 912 of file EEDFTwoTermApproximation.cpp.
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Runs the energy grid adaptation script when this feature is activated.
Definition at line 269 of file EEDFTwoTermApproximation.cpp.
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Sets a Maxwellian distribution with the specified electron temperature [eV].
Definition at line 316 of file EEDFTwoTermApproximation.cpp.
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Projects a previously converged EEDF onto the current energy grid.
Used as first guess after grid adaptation when Maxwellian reset is disabled.
Definition at line 238 of file EEDFTwoTermApproximation.cpp.
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An extension of the linearInterp function that returns specified values when the input is out of bounds instead of returning one of the extremities of the list.
Definition at line 218 of file EEDFTwoTermApproximation.cpp.
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Formerly options for the EEDF solver.
The first step size
Definition at line 180 of file EEDFTwoTermApproximation.h.
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Maximum number of iterations.
Definition at line 183 of file EEDFTwoTermApproximation.h.
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The factor for step size change.
Definition at line 186 of file EEDFTwoTermApproximation.h.
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The number of points in the EEDF grid.
Definition at line 189 of file EEDFTwoTermApproximation.h.
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Error tolerance for convergence.
Definition at line 192 of file EEDFTwoTermApproximation.h.
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The growth model of EEDF.
Definition at line 195 of file EEDFTwoTermApproximation.h.
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The threshold for species mole fractions.
Definition at line 198 of file EEDFTwoTermApproximation.h.
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The initial electron temperature [eV].
Definition at line 201 of file EEDFTwoTermApproximation.h.
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Pointer to the PlasmaPhase object used to initialize this object.
This PlasmaPhase object provides species, element, and cross-section data used by the EEDF solver. It is set during construction and is not modified afterwards. All subsequent calls to compute functions must use the same PlasmaPhase context.
Definition at line 210 of file EEDFTwoTermApproximation.h.
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Electron mobility [m²/V·s].
Definition at line 304 of file EEDFTwoTermApproximation.h.
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Grid of electron energy (cell center) [eV].
Definition at line 307 of file EEDFTwoTermApproximation.h.
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Grid of electron energy (cell boundary i-1/2) [eV].
Definition at line 310 of file EEDFTwoTermApproximation.h.
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Location of cell j for grid cache.
Definition at line 313 of file EEDFTwoTermApproximation.h.
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Location of cell i for grid cache.
Definition at line 316 of file EEDFTwoTermApproximation.h.
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Cross section at the boundaries of the overlap of cell i and j.
Definition at line 319 of file EEDFTwoTermApproximation.h.
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The energy boundaries of the overlap of cell i and j.
Definition at line 322 of file EEDFTwoTermApproximation.h.
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Normalized electron energy distribution function.
Definition at line 325 of file EEDFTwoTermApproximation.h.
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EEDF at grid edges (cell boundaries)
Definition at line 328 of file EEDFTwoTermApproximation.h.
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Total electron cross section on the cell center of energy grid.
Definition at line 331 of file EEDFTwoTermApproximation.h.
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Total electron cross section on the cell boundary (i-1/2) of energy grid.
Definition at line 335 of file EEDFTwoTermApproximation.h.
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Vector of total elastic cross section weighted with mass ratio.
Definition at line 338 of file EEDFTwoTermApproximation.h.
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List of target species indices in global Cantera numbering (1 index per cs)
Definition at line 341 of file EEDFTwoTermApproximation.h.
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List of target species indices in local X EEDF numbering (1 index per cs)
Definition at line 344 of file EEDFTwoTermApproximation.h.
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Indices of species which has no cross-section data.
Definition at line 347 of file EEDFTwoTermApproximation.h.
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Local to global indices.
Definition at line 350 of file EEDFTwoTermApproximation.h.
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Mole fraction of targets.
Definition at line 353 of file EEDFTwoTermApproximation.h.
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Previous mole fraction of targets used to compute eedf.
Definition at line 356 of file EEDFTwoTermApproximation.h.
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In factor.
This is used for calculating the Q matrix of scattering-in processes.
Definition at line 360 of file EEDFTwoTermApproximation.h.
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Defined by the formula: pow(2.0 * ElectronCharge / ElectronMass, 0.5) and comupted during phase initialization.
Definition at line 364 of file EEDFTwoTermApproximation.h.
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Flag of having an EEDF.
Definition at line 367 of file EEDFTwoTermApproximation.h.
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First call to calculateDistributionFunction.
Definition at line 370 of file EEDFTwoTermApproximation.h.
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Energy grid spacing type. Can be linear, quadratic or geometric.
Definition at line 373 of file EEDFTwoTermApproximation.h.
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Maximum value of the energy grid [eV].
Definition at line 376 of file EEDFTwoTermApproximation.h.
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Number of cells for the starting energy grid.
Definition at line 379 of file EEDFTwoTermApproximation.h.
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Flag activating or deactivating automatic grid adaptation.
Definition at line 382 of file EEDFTwoTermApproximation.h.
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Minimum amount of decades decay at the tail of the EEDF when grid adaptation is on.
Definition at line 386 of file EEDFTwoTermApproximation.h.
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Maximum amount of decades decay at the tail of the EEDF when grid adaptation is on.
Definition at line 390 of file EEDFTwoTermApproximation.h.
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Factor by which the EEDF grid maximum energy is increased of shrunk when grid adaptation is on.
Definition at line 394 of file EEDFTwoTermApproximation.h.
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Maximum number of iterations on the maximum energy accepted for grid adaptation.
Definition at line 397 of file EEDFTwoTermApproximation.h.
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The threshold in reduced electric field [townsend, Td] below which no EEDF will be computed, but a Maxwellian at the gas temperature will be imposed instead.
Definition at line 423 of file EEDFTwoTermApproximation.h.
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In the case where a geometric grid is employed, this stores the corresponding geometric ratio.
Definition at line 427 of file EEDFTwoTermApproximation.h.
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Boolean flag to reset the EEDF to a Maxwellian distribution at the gas temperature when the grid is adapted.
This is a base parameter for the non-pro user for code solidity. It can be disabled by the user and in this case the previous EEDF will be projected onto the new grid instead of being reset to a Maxwellian.
Definition at line 434 of file EEDFTwoTermApproximation.h.