Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2019 Impact factor 1.556

Nuclear Science and Techniques ›› 2015, Vol. 26 ›› Issue (6): 060603 doi: 10.13538/j.1001-8042/nst.26.060603

• NUCLEAR ENERGY SCIENCE AND ENGINEERING • Previous Articles    

Molecular dynamics simulation of displacement cascades in Ni-Mo alloy

HU Neng-Wen,1, 2 QI Mei-Ling, 2 XIAO Shi-Fang, 3 DENG Hui-Qiu, 3  REN Cui-Lan, 4 HU Wang-Yu 1, 3   

  1. 1College of Materials Science and Engineering, Hunan University, Changsha 410082, China
    2Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China
    3Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082, China
    4Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China
  • Contact: DENG Hui-Qiu, HU Wang-Yu E-mail:hqdeng@hnu.edu.cn;wyhu@hnu.edu.cn
  • Supported by:

    Supported by the Strategic Leading Science & Technology Program of the Chinese Academy of Sciences (No. XD02004140), National Natural Science Foundation of China (Nos. 51371080 and 11076012) and Fundamental Research Funds for the Central Universities, Hunan University

HU Neng-Wen, QI Mei-Ling, XIAO Shi-Fang, DENG Hui-Qiu, REN Cui-Lan, HU Wang-Yu . Molecular dynamics simulation of displacement cascades in Ni-Mo alloy.Nuclear Science and Techniques, 2015, 26(6): 060603     doi: 10.13538/j.1001-8042/nst.26.060603

Abstract:

Molecular dynamics method is used to investigate the displacement cascades in Ni-Mo binary alloy. Effects of the irradiation temperature, energy of the primary knock-on atoms and concentration of solute Mo atoms are taken into consideration on radiation damage to the Ni-Mo alloy. It is found that Mo atoms reduce production of the Frenkel pairs at 100 K, while they enhance defect production at 300K and 600 K. Size of the largest defect clusters decreases with increasing concentrations of Mo atoms (CMo) at 100 K, but it increases with CMo at 300K and 600 K. Most of the point defects get clustered in cascades leaving only a few vacancies and interstitials isolated.

Key words: Molecular dynamics method, Displacement cascade, Ni-Mo alloy