| Abstract Scope |
Short-range order (SRO) in multicomponent alloys is complicated by the number of components, e.g., the number of Warren-Cowley SRO parameters for an M-component alloy is M(M-1)/2. Computational tools such as cluster expansion and machine-learned interatomic potential simulations, can be used to obtain SRO parameters for specific alloy systems. In an effort to find high-throughput descriptors of SRO, we analyze the connection between SRO and LRO/phase diagrams for multicomponent alloys, and also investigate whether multicomponent SRO can be inferred from lower order (e.g., binary, ternary) information. We find that SRO cannot be determined from considerations of LRO alone, but the two can even qualitatively disagree. Based on energetics of ordered, disordered, and coherent phase separated states, we determine simple energetic descriptors of SRO, allowing us to classify SRO types in a variety of high-entropy alloy systems. We show illustrations in high-entropy alloys with applications as structural materials, battery cathodes, and thermoelectrics. |