Material¶

Material definition.

Example

Create a material definition for copper:

mat = Material('copper', {29: 1.0}, 8.9)
with open('copper.mat.in', 'w') as fp:
    mat.write_input(fp)

Using the material program of PENELOPE in the pendbase folder, run:

material.exe < copper.mat.in

There should now be a copper.mat in the pendbase folder.

class pypenelopetools.material.Material(name, composition, density_g_per_cm3, mean_excitation_energy_eV=None, oscillator_strength_fcb=None, plasmon_energy_wcb_eV=None)[source]¶

Bases: object

Creates a new material.

Parameters:

name (str) – Name of material.
composition (dict) – Composition in weight fraction. The composition is specified by a dictionary. The keys are atomic numbers and the values are weight fraction between ]0.0, 1.0].
density_g_per_cm3 (float) – Material’s density in g/cm3.
mean_excitation_energy_eV (float, optional) – mean excitation energy. If None, it will be calculated by PENELOPE.
oscillator_strength_fcb (float, optional) – oscillator strength of plasmon excitation. If None, it will be estimated by PENELOPE.
plasmon_energy_wcb_eV (float, optional) – energy of plasmon excitation in eV. If None, it will be estimated by PENELOPE.

name¶: str – Name of material.

composition¶: dict – Composition in weight fraction. The composition is specified by a dictionary. The keys are atomic numbers and the values are weight fraction between ]0.0, 1.0].

density_g_per_cm3¶: float – Material’s density in g/cm3.

mean_excitation_energy_eV¶: float, optional – mean excitation energy. If None, it will be calculated by PENELOPE.

oscillator_strength_fcb¶: float, optional – oscillator strength of plasmon excitation. If None, it will be estimated by PENELOPE.

plasmon_energy_wcb_eV¶: float, optional – energy of plasmon excitation in eV. If None, it will be estimated by PENELOPE.

filename¶

classmethod read_input(fileobj)[source]¶

Reads the input file created by this class (see write_input).

Parameters:	fileobj (file object) – file object opened with read access.
Returns:	new material.
Return type:	Material

classmethod read_material(fileobj)[source]¶

Reads a PENELOPE generated material file (.mat).

Parameters:	fileobj (file object) – file object opened with read access.
Returns:	new material.
Return type:	Material

write_input(fileobj)[source]¶

Writes the input file to create this material. The material program should be called with this input file as standard input:

material.exe < material.in

Parameters:	fileobj (file object) – file object opened with write access.

pypenelopetools.material.VACUUM = <Material(Vacuum)>¶: Material representing vacuum.