metallurgy.enthalpy.calculate_surface_concentration(elements: list[str], volumes: list[Number], composition: dict) Number[source]

Calculates the surface concentration in the Miedema model of mixing enthalpy. See equation 2 of: http://dx.doi.org/10.1016/j.cpc.2016.08.013

Parameters:
elements: list[str]

The elements being used to calculate the surface concentration.

volumes: list[Number]

The atomic volumes of the elements.

composition: dict

Dictionary containing the percentage of each element in the surface composition.


Last update: Jun 08, 2023