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金属玻璃切削中原子结构演化分子动力学研究

Molecular Dynamics Study of Evolution of Atomic Structure in Metal Glass Cutting
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摘要 金属玻璃具有中短程有序、长程无序的结构特性,这些中短程有序结构对金属玻璃的加工过程极为敏感。为研究金属玻璃原子结构的特点,分析在纳米切削过程中金属玻璃原子结构的演化趋势,应用分子动力学方法,以0.1 K/s的冷却速率制备Zr52Cu20Ti16Ni12金属玻璃模型,并对模型进行室温纳米切削模拟。采用径向分布函数分析法和Voronoi多面体分析法对纳米切削过程中原子组态的演化进行分析,分析结果表明,配位数为12的原子结构是局域应变的主要承担者。 Metallic glasses have the structural properties of short and medium-range ordered and long-range disordered.These short and medium-range ordered structures are extremely sensitive to the processing of metallic glasses.In order to study the characteristics of the atomic structure of metallic glasses and analyze the evolution trend of the atomic structure of metallic glasses during the nano-cutting process,the molecular dynamics method was applied to prepare a Zr 52 Cu 20 Ti 16 Ni 12 metallic glass model with a cooling rate of 0.1 K/s,and the model was simulated by nano-cutting at room temperature.Radial distribution function analysis and Voronoi polyhedral analysis were used to analyze the evolution of atomic grouping during the nano-cutting process.The analysis results show that the atomic structure with coordination number 12 is mainly undertaker of local strain.
作者 崔晓庆 郝正茂 刘寅 孙兴伟 杨赫然 CUI Xiao-qing;HAO Zheng-mao;LIU Yin;SUN Xing-wei;YANG He-ran(School of Mechanical Engineering,Shenyang University of Technology,Shenyang 110870,China;Key Laboratory of Numerical Control Manufacturing Technology for Complex Surfaces of Liaoning Province,Shenyang 110870,China;Dezhou United Petroleum Technology Co.,Ltd.,Dezhou 253034,China)
出处 《机械工程与自动化》 2023年第5期28-29,32,共3页 Mechanical Engineering & Automation
基金 辽宁省应用基础研究计划项目(2022JH2/101300214)。
关键词 金属玻璃 Voronoi多面体 纳米切削 分子动力学 metallic glasses Voronoi polyhedra nano-cutting molecular dynamics
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参考文献2

  • 1高晓泽..金属非晶与纳米晶界面微观结构与界面行为的模拟研究[D].上海交通大学,2015:
  • 2贾丽静..相分离非晶合金Cu50Ag50的结构和力学相关性[D].山东大学,2019:

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