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

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.