Estimation of the effects of Y and Zn atoms on the elastic properties of Mg solid solution

TL;DR

This paper presents a thermodynamical model, based on first-principles density functional theory calculations, to estimate how Y and Zn atoms influence the elastic properties of magnesium solid solutions, relevant for aerospace and automotive applications.

Contribution

The study introduces a simple thermodynamical model derived from first-principles calculations to predict the effects of Y and Zn atoms on Mg alloy elasticity.

Findings

Model accurately estimates Y and Zn effects on Mg compressibility

First-principles calculations validate the thermodynamical approach

Potential for improved alloy design in aerospace and automotive industries

Abstract

Mg-based alloys have recently attracted major interest in view of their potential applications in the aerospace, aircraft and automotive industries. Here, we show that the effects of Y and Zn atoms on their compressibility can be reliably estimated by a simple thermodynamical model deduced by means of first-principles calculations based on density functional theory that just appeared.