A first-principles approach to modeling alloy phase equilibria

This paper presents a brief overview of recent developments in the application of first-principles calculations to the study of bulk and interfacial thermodynamic properties and phase equilibria in alloys. Among the applications discussed are calculations of. bulk thermodynamic properties, phase boundaries, interfacial free energies, and precipitate morphologies. The article concludes by highlighting some further recent developments that are likely to lead to increasing applications of these modeling techniques.