Energy of mixing and entropy of mixing for Cu$_{x}$Al$_{1-x}$ liquid binary alloys

TL;DR

This study systematically investigates the energy and entropy of mixing in Cu-Al liquid alloys using electronic theory and perturbation methods, achieving good agreement with experimental data.

Contribution

It applies a combined electronic and perturbation approach to accurately compute mixing properties of Cu-Al alloys, including entropy without adjustable parameters.

Findings

Energy of mixing matches experimental data

Entropy of mixing agrees well with experiments

Method provides a reliable way to study alloy thermodynamics

Abstract

The free energy of mixing and the entropy of mixing for Cu$_{x}$Al$_{1-x}$ liquid binary alloys have been systematically investigated by using the electronic theory of metals along with the perturbation approach at a thermodynamic state $T=1373$ K. The interionic interaction and a reference liquid are the fundamental components of the theory. The interionic interaction is described by a local pseudopotential. A liquid of hard spheres (HS) of two different effective diametres is used to describe the reference system for alloys. The results of the calculations for energy of mixing agree well with the available experimental data. Calculation of entropy of mixing is parameter free and, the agreement with experiment, in this case, is found to be fairly good.