Prediction of Stable Nanocrystalline Alloys in Compound Forming Systems

Provided in one embodiment is a method of identifying a stable phase of an ordering binary alloy system comprising a solute element and a solvent element, the method comprising: determining at least three thermodynamic parameters associated with grain boundary segregation, phase separation, and intermetallic compound formation of the ordering binary alloy system; and identifying the stable phase of the ordering binary alloy system based on the first thermodynamic parameter, the second thermodynamic parameter and the third thermodynamic parameter by comparing the first thermodynamic parameter, the second thermodynamic parameter and the third thermodynamic parameter with a predetermined set of respective thermodynamic parameters to identify the stable phase; wherein the stable phase is one of a stable nanocrystalline phase, a metastable nanocrystalline phase, and a non-nanocrystalline phase.