Abstract Scope |
Element distribution in high-entropy alloys influences critically the materials properties: from mechanical strength and fracture mechanisms, chemical reactivity, thermodynamic stability, to electronic structures. However, due to its short length scale (often less than nm) and complex nature tied with composition, microstructure, and processing conditions, it is challenging to experimentally probe and understand the relationship between the short-range order (SRO) and materials properties. In our first-principles based Monte Carlo study we identified the low-energy element distribution in the bulk, grain boundary (GB), stacking fault (SF) and surface of CrMnFeCoNi alloy. The predicted SRO in bulk is globally applicable to GB, SF, and surface structures, while the distinct local segregation was observed in GB, SF, and surface. The contributing factors to the local segregation and implication of SRO to the materials property will be discussed and compared with findings from other literature. |