Atomic loyalty model of CuZr binary amorphous formation

This article uses molecular dynamics simulations to study the amorphous formation process of CuZr binary alloy, and the atomic loyalty model is used to identify the atomic changes during the amorphous formation process. It was found in this study that as the temperature decreases, the loyalty atoms connected to one another more closely and more freedom atoms will be converted into loyalty atoms increasingly. In the process of amorphous formation, the chain structure of loyalty atoms forms a fixed frame, and freedom atoms shuttle between them until the system is completely solidified. In the CuZr binary system, with the Cu atom as the center atom and the Zr atom as the loyalty atom, it is easier to form a stable structure. This also explains that binary alloys are more likely to form an amorphous state rather than a univalent alloy from the structural perspective.