Ab initio property predictions of quinary solid solutions using small binary cells - Kuner, Matthew C.; Rothchild, Eric; Asta, Mark D.; Chrzan, Daryl C. (Computational materials science, 2024)
Keywords: Disorder; High entropy alloys (HEAs); High-throughput density functional theory (HT-DFT); Random solid solutions; Set of small ordered structures (SSOS); Small structures; Set of small ordered structures (SSOS); High entropy alloys (HEAs); Random solid solutions; High-throughput density functional theory (HT-DFT); Disorder; Small structures