Atomistic computer simulation for liquid-glass transition in ZrNi alloy

✍ Scribed by Tomoyasu Aihara Jr.; Kiyoshi Aoki; Tsuyoshi Masumoto

• Book ID: 103953362
• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 377 KB
• Volume: 179-180
• Category: Article
• ISSN: 0921-5093
• DOI: 10.1016/0921-5093(94)90205-4

✦ Synopsis

The liquid-glass transition for Zr-Ni alloy is investigated using molecular dynamics simulation and the empirical manybody potential described by the embedded atom method. The structure, distributions of the atomistic local site energy and the mean square force are investigated. The amorphous structure is compared with the crystal structure at room temperature. The potential, kinetic and total site energy distributions exhibit MaxwelI-Bohzmann-type profiles. The liquid-glass transition is clearly detected for the atomistic site energy, and equivalently for each specimen. The results are discussed from the viewpoint of non-equilibration. The mean square force exhibits an exponential dependence on the temperature.