Cluster-Model-Embedded First-Principles Study on Structural Stability of Body-Centered-Cubic-Based Ti-Zr-Hf-Nb Refractory High-Entropy Alloys

Refractory high-entropy alloys (RHEAs) with body-centered-cubic (BCC) structure are a new class of alloy materials and have great potential for high temperature applications. The present work investigated the BCC structural stabilities of Ti-Zr-Nb-Hf RHEAs with both first-principles calculations and experimental characterization. The cluster-plus-glue-atom model (cluster model) for the presentation of chemical short-range ordering (CSRO) in...