Local Five-Fold Symmetry and Diffusion Behavior of Zr_(64)Cu_(36) Amorphous Alloy Based on Molecular

• 作 者: 高伟 冯士东 戚力 张世良 刘日平
• 机 构: State Key Laboratory of Metastable Materials Science and Technology,Yanshan University,
• 出 处: Chinese Physics Letters
• 发表日期: 2015年11期
• 关键词: symmetry amorphous viewpoint solidification inhibited metallic spatially crystal

A molecular dynamics simulation is performed to investigate the relationship between the local five-fold symmetry and the diffusion behavior involved in the rapid solidification of a Zr_(64)Cu_(36) alloy melt.The Voronoi polyhedron analysis indicates that the icosahedral clusters cannot explain the total amorphous structure,while the local fivefold symmetry shows more advantage in describing the relationship between the transition of the clusters and the diffusion behavior of Zr_(64)Cu_(36) amorphous alloy.It is found that when the fraction of the local five-fold symmetry is less than 0.3,the diffusion coefficient increases significantly,and when the value exceeds 0.7,diffusion behavior is inhibited.The simulation provides a new viewpoint for understanding of the glass-forming mechanism.

A molecular dynamics simulation is performed to investigate the relationship between the local five-fold symmetry and the diffusion behavior involved in the rapid solidification of a Zr 64 Cu 36 alloy melt.The Voronoi polyhedron analysis indicates that the icosahedral clusters can not be explained the total amorphous structure, while the local fivefold symmetry shows more advantage in describing the relationship between the transition of the clusters and the diffusion behavior of Zr_ (64) Cu_ (36) amorphous alloy. It is found that when the fraction of the local five -fold symmetry is less than 0.3, the diffusion coefficient increases significantly, and when the value exceeds 0.7. diffusion behavior is inhibited. The simulation provides a new viewpoint for understanding of the glass-forming mechanism.