中国物理B ›› 2015, Vol. 24 ›› Issue (12): 126102-126102.doi: 10.1088/1674-1056/24/12/126102

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Relationship between Voronoi entropy and the viscosity of Zr36Cu64 alloy melt based on molecular dynamics

高伟, 冯士东, 张世良, 戚力, 刘日平   

  1. State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China
  • 收稿日期:2015-06-01 修回日期:2015-08-12 出版日期:2015-12-05 发布日期:2015-12-05
  • 通讯作者: Liu Ri-Ping E-mail:riping@ysu.edu.cn
  • 基金资助:
    Project supported by the National Basic Research Program of China (Grant No. 2013CB733000) and the National Natural Science Foundation of China (Grant Nos. 51271161 and 51271162).

Relationship between Voronoi entropy and the viscosity of Zr36Cu64 alloy melt based on molecular dynamics

Gao Wei (高伟), Feng Shi-Dong (冯士东), Zhang Shi-Liang (张世良), Qi Li (戚力), Liu Ri-Ping (刘日平)   

  1. State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China
  • Received:2015-06-01 Revised:2015-08-12 Online:2015-12-05 Published:2015-12-05
  • Contact: Liu Ri-Ping E-mail:riping@ysu.edu.cn
  • Supported by:
    Project supported by the National Basic Research Program of China (Grant No. 2013CB733000) and the National Natural Science Foundation of China (Grant Nos. 51271161 and 51271162).

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摘要： Molecular dynamics simulation is used to investigate the relationship between Voronoi entropy and viscosity for rapid solidification processing of Zr36Cu64 binary alloy melt. The simulation results at different temperatures, cooling rates, and pressures, show that Voronoi entropy is able to accurately describe the relationship of the transition between the cluster structure and the viscosity of Zr36Cu64 binary alloy melt through Voronoi polyhedron analysis. That is, the higher the degree of order of the microstructure, the lower the Voronoi entropy is and the higher the viscosity is. The simulation provides an important reference for studying metallic glass with high glass-forming ability.

关键词: alloy melt, molecular dynamics simulation, Voronoi entropy, viscosity

Abstract: Molecular dynamics simulation is used to investigate the relationship between Voronoi entropy and viscosity for rapid solidification processing of Zr36Cu64 binary alloy melt. The simulation results at different temperatures, cooling rates, and pressures, show that Voronoi entropy is able to accurately describe the relationship of the transition between the cluster structure and the viscosity of Zr36Cu64 binary alloy melt through Voronoi polyhedron analysis. That is, the higher the degree of order of the microstructure, the lower the Voronoi entropy is and the higher the viscosity is. The simulation provides an important reference for studying metallic glass with high glass-forming ability.

Key words: alloy melt, molecular dynamics simulation, Voronoi entropy, viscosity

中图分类号:  (Computer simulation of liquid structure)

  • 61.20.Ja
61.43.Dq (Amorphous semiconductors, metals, and alloys) 61.43.Bn (Structural modeling: serial-addition models, computer simulation)