constants

Constants.

constants.R = 8.314

Ideal gas constant in J K-1 mol-1.

Type:

float

constants.EV = 1.602e-19

Electronvolt in J/eV.

Type:

float

constants.NA = 6.022e+23

Avogadro number in mol-1.

Type:

float

constants.KB = 8.617e-05

Boltzmann constant in eV/K.

Type:

float

constants.GV0 = np.float64(18633.37978773849)

Energy of vacancy end-member in J/mol.

Type:

float

constants.factory_default_parameters = {'Fourier_number': 0.25, 'L_mean_kind': 'arithmetic', 'geometry': 'planar', 'grid_type': 'linear', 'min_atom_fraction': 1e-09, 'min_number_time_steps': 20, 'num_out': 2, 'nz': 60, 'partial_molar_volume': 1e-05, 'q': 1.02, 'vacancy_formation_energy': [200000.0, 50]}

Factory default parameters.

‘min_atom_fraction’str

Minimum atom fraction accepted in initial profiles and boundary conditions.

‘min_number_time_steps’int

Minimum number of time steps.

‘num_out’int

Number of saved time steps (see Time [time]).

‘grid’: str

Type of space grid (see Space [space]).

‘nz’int

Number of space steps (see Space [space]).

‘q’float

Common ratio for geometric grid (see Space [space]).

‘Fourier_number’float

Fourier number (see Time step).

‘geometry’str

Domain geometry (see Space [space]).

‘L_mean_kind’str

Kind of mean used to compute L values at nodes (see L_mean_kind).

‘partial_molar_volume’float

Partial molar volume in m3/mol.

‘vacancy_formation_energy’list of floats

Vacancy formation enthalpy and entropy, [HfV, SfV] in [J/mol, J/mol/K] GfV = HfV - T*SfV

Type:

dict