quscope.utils

Shared physical constants and scattering-factor parameterizations.

Physical Constants and Common Calculations for Electron Microscopy

This module contains fundamental physical constants and utility functions commonly used in electron microscopy simulations.

class quscope.utils.constants.PhysicalConstants

Bases: object

Physical constants and utility calculations for electron microscopy.

m0c2 = 511000.0

hc = 12.398

a0 = 0.529177

e_charge = 1.602176634e-19

m_e = 9.1093837015e-31

h = 6.62607015e-34

c = 299792458

static calculate_wavelength(beam_energy)

Calculate relativistic electron wavelength.

Parameters:

beam_energyfloat

Electron beam energy in eV.

Returns:

wavelengthfloat

Electron wavelength in Angstroms.

static calculate_sigma(beam_energy)

Calculate interaction parameter σ for weak phase object.

Parameters:

beam_energyfloat

Electron beam energy in eV.

Returns:

sigmafloat

Interaction parameter in rad/eV.

Kirkland Atomic Potential Calculations

This module implements the Kirkland atomic potential parameterization for electron scattering calculations in TEM simulations.

Reference: E. J. Kirkland, “Advanced Computing in Electron Microscopy”, 2nd Edition Appendix C - Atomic Potentials and Scattering Factors

class quscope.utils.kirkland.KirklandPotential(params_file=None)

Bases: object

Calculate atomic potentials using Kirkland parametrization.

load_parameters()

kirkland_potential_2d(x_grid, y_grid, atom_x, atom_y, Z, element=None)

get_element_symbol(Z)