In the quest for materials that can withstand the rigors of modern engineering applications, high-entropy alloys (HEAs) have emerged as a frontier in material science owing to their unprecedented combination of properties. This review focuses on intricate thermodynamic and computational modeling to guide the design and optimization of HEAs. By dissecting the foundational "four core effects" intrinsic to HEAs-high entropy, sluggish diffusion, severe lattice distortion, and cocktail effect-we illuminate the path towards predictable and tailored material properties.
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