Quantifying Multipoint Ordering in Alloys
Published in Physical Review B, 2021
This work develops a systematic framework for quantifying multipoint ordering in alloy systems, moving beyond traditional pairwise descriptions. By combining cluster expansion methods with DFT calculations, we characterize complex ordering phenomena in Pt–Pd alloys relevant to electrocatalyst design.
Recommended citation: Goff, J., Li, B., Sinnott, S., Dabo, I. (2021). "Quantifying Multipoint Ordering in Alloys." Physical Review B, 104, 054109.
Download Paper