Phase stability of fcc- and hcp-based intermetallics: The Ti-Al and Cd-Mg systems

摘要

In this paper we summarize results of first-principles phase stability studies of fcc- and hcp-based Ti-Al alloys and of the hcp-based Cd-Mg system. In particular, heats of formation for ordered alloy compounds are calculated with the linear muffin tin orbital method; effective cluster interactions are determined from the results of these calculations and are used to derive thermodynamic properties and composition-temperature phase diagrams.