中国物理B ›› 2016, Vol. 25 ›› Issue (2): 27901-027901.doi: 10.1088/1674-1056/25/2/027901

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Molecular dynamics simulation of Cun clusters scattering from a single-crystal Cu (111) surface: The influence of surface structure

Xianwen Luo(罗先文), Meng Wang(王勐), Bitao Hu(胡碧涛)   

  1. 1. Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, China;
    2. School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China
  • 收稿日期:2015-08-09 修回日期:2015-09-21 出版日期:2016-02-05 发布日期:2016-02-05
  • 通讯作者: Xianwen Luo E-mail:18681630692@163.com
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 11405166).

Molecular dynamics simulation of Cun clusters scattering from a single-crystal Cu (111) surface: The influence of surface structure

Xianwen Luo(罗先文)1, Meng Wang(王勐)1, Bitao Hu(胡碧涛)2   

  1. 1. Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, China;
    2. School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China
  • Received:2015-08-09 Revised:2015-09-21 Online:2016-02-05 Published:2016-02-05
  • Contact: Xianwen Luo E-mail:18681630692@163.com
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 11405166).

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摘要： By performing a molecular dynamics simulation, fragmentation of Cun clusters scattering from a single-crystal Cu (111) surface is studied. The interactions among copper atoms are modeled by tight-binding potential, and the positions of the copper clusters at each time step are calculated by integrating the Newton equations of motion. The percentage of unfragmented clusters depends on the incident velocities, angles of incidence, and surface structure. The influence of surface structure on the fragment distribution is discussed, and the clusters appear to be more stable under an axial channeling condition. The fragment distribution shifting toward the small fragment range for cluster scattering along a random direction is confirmed, indicating that the cluster undergoes more intensive fragmentation.

关键词: cluster, scattering, channeling effect

Abstract: By performing a molecular dynamics simulation, fragmentation of Cun clusters scattering from a single-crystal Cu (111) surface is studied. The interactions among copper atoms are modeled by tight-binding potential, and the positions of the copper clusters at each time step are calculated by integrating the Newton equations of motion. The percentage of unfragmented clusters depends on the incident velocities, angles of incidence, and surface structure. The influence of surface structure on the fragment distribution is discussed, and the clusters appear to be more stable under an axial channeling condition. The fragment distribution shifting toward the small fragment range for cluster scattering along a random direction is confirmed, indicating that the cluster undergoes more intensive fragmentation.

Key words: cluster, scattering, channeling effect

中图分类号:  (Atomic, molecular, and ion beam impact and interactions with surfaces)

  • 79.20.Rf
61.85.+p (Channeling phenomena (blocking, energy loss, etc.) ?)