Chemical-Affinity Disparity and Exclusivity Drive Atomic Segregation, Short-Range Ordering, and Cluster Formation in High-Entropy Alloys

Recently, atomic segregation, short-range ordering, and cluster formation have been observed experimentally in high-entropy alloys (HEAs). Differences in the atomic size and electronegativity of constituent elements were proposed to be the underlying cause of such ordering. Here, we investigated two HEAs, CoCuFeNiPd and CoCuFeNiTi, using a combination of Monte Carlo and molecular dynamic simulations. Our results show that the CoCuFeNiPd HEA...