2 papers
cond-mat.mtrl-sci2021
Density functional simulations of pressurized Mg-Zn and Al-Zn alloys
Mohammad Alidoust, David Kleiven, Jaakko Akola
The Mg-Zn and Al-Zn binary alloys have been investigated theoretically under static isotropic pressure. The stable phases of these binaries on both initially hexagonal-close-packed…
cond-mat.mtrl-sci2018
CLEASE: A versatile and user-friendly implementation of Cluster Expansion method
Jin Hyun Chang, David Kleiven, Marko Melander +3
Materials exhibiting a substitutional disorder such as multicomponent alloys and mixed metal oxides/oxyfluorides are of great importance in many scientific and technological sector…