Structural properties of medium-range order in CuNiZr alloy

The evolution characteristics of icosahedral clusters during the rapid solidification of Cu 50 Ni 10 Zr 40 alloy at cooling rate of 10 11 K s −1 are investigated based on molecular dynamics simulations. The structural properties of the short-range order and medium-range order of Cu 50 Ni 10 Zr 40 alloy are analyzed by several structural characterization methods. The results reveal that the icosahedral clusters are the dominant short-range order structure, and that they assemble themselves into medium-range order by interpenetrating connections. The different morphologies of medium-range order are found in the system and include chain, triangle, tetrahedral, and their combination structures. The tetrahedral morphologies of medium-range order have excellent structural stability with decreasing temperature. The Zr atoms are favorable to form longer chains, while the Cu atoms are favorable to form shorter chains in the system. Those chains interlocked with each other to improve the structural stability.