Atomistic insights into the effect of cooling rates on the structural and mechanical properties of Vanadium monatomic metallic glass

被引：9
作者：
Kotri, A. [1 ]
Belkassmi, Y. [1 ]
Lachtioui, Y. [2 ]
Boughazi, B. [1 ]
Sahal, M. [1 ]
机构：
[1] Ibn Zohr Univ, Polydisciplinary Fac Ouarzazate, Lab Phys Energy & Data Proc, Agadir, Morocco
[2] Sultan Moulay Slimane Univ, Fac Sci & Technol, Lab Energy Engn & Mat LEEM, Beni Mellal, Morocco
来源：
CHINESE JOURNAL OF PHYSICS | 2022年 / 79卷
关键词：
Molecular dynamics; RDF method; EAM potential; Vanadium monatomic metallic glass; Stress; -strain; MOLECULAR DYNAMIC SIMULATION; MEDIUM-RANGE ORDER; RAPID SOLIDIFICATION; MONTE-CARLO; EVOLUTION; ADSORPTION; COMPOSITE; PACKING; LEVEL;
D O I：
10.1016/j.cjph.2022.09.017
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Recently, metallic glasses have received much interest owing to their valuable and unique properties such as high corrosion resistance, high elasticity, fracture resistance, etc. In the present study, Molecular Dynamics (MD) simulation, based on semi-empirical potential described by the Embedded-Atom Method (EAM), was used to investigate the structural and mechanical properties of V-monoatomic Metallic glass. In order to analyze the behavior of this material, the radial distribution function (RDF) method and common neighbor analysis (CNA) were applied. The obtained results indicate a splitting in the second RDF peak with cooling rates of 1014 K/s and 5.1013 K/s. Furthermore, it was found that the total system energy decreases continuously when the high cooling rates of 5.1013 K/s and 1014 K/s are used, supporting the formation of Vanadium metallic glass (V MG). This latter one demonstrates a higher Young's modulus compared to the Vmonatomic in the liquid phase.
引用
收藏
页码：503 / 513
页数：11
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