Property maps of single-phase refractory high-entropy alloys

Due to the diversity of element combinations, most material design approaches struggle to comprehensively cover the vast design space of high-entropy alloys (HEAs) within a short timeframe. In this work, to present the property potentials and enhance the development efficiency of novel refractory high-entropy alloys (RHEAs), maps with predicted properties for single-phase RHEAs have been constructed. A substantial composition space containing 182,826 compositions has been firstly generated based on the nine refractory elements: Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W. Compositions of potential body-centered cubic (BCC) single-phase solid solution were then identified based on the criteria of atomic size difference and mixing enthalpy. The yield strength was predicted via a thermally activated edge dislocation strengthening model, while the other properties were estimated using the rule of mixtures. Accordingly, property maps for five-element single-phase RHEAs and Ashby maps comparing the properties of RHEAs with traditional alloys were also established. These comparisons reveal that the RHEAs exhibit superior strength compared to conventional alloys, particularly under high-temperature conditions, demonstrating significant advantages. This study not only outlines the boundaries of properties for five-element single-phase RHEAs, but also provides a composition design tool for developing novel RHEAs with desired properties and low costs.