ArticleRSC advances2026
First-principles prediction of yield strength and hardness in body-centered cubic refractory-based medium, high, and super high entropy alloys.
Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Refractory-based high-entropy alloys (RHEAs) are compelling materials for super-high-temperature (1500-2000 K) applications, such as jet-engines, gas turbines, and nuclear powerplants. However, only a small portion of their vast compositional design space has been explored, while many potentially interesting RHEAs remain to be discovered. In this work, a large region of 9-refractory elements: Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W design space is computationally explored to identify 18 RHEAs with simultaneously high yield strength and body-centered cubic (BCC) solid solution stability. We provide a comprehensive analysis of the impact of elemental variations on yield strength, lattice distortion, and thermodynamic properties within 18 RHEAs. We show that these specific elemental variations in composition lead to significant changes in the calculated properties, such as a significant large yield strength of 2693.618 MPa for the alloy Ti
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