Interatomic potentials for simulating radiation damage effects in metals

被引:24
|
作者
Nordlund, Kai [1 ]
Dudarev, Sergei L. [2 ,3 ]
机构
[1] Univ Helsinki, Assoc EURATOM TEKES, Accelerator Lab, FI-00014 Helsinki, Finland
[2] UKAEA Euratom Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England
[3] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England
基金
英国工程与自然科学研究理事会;
关键词
neutron irradiation; radiation damage;
D O I
10.1016/j.crhy.2007.10.012
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
We critically review the recent developments in the field of semi-empirical interatomic potentials for molecular dynamics simulations, with particular emphasis on the requirements and criteria associated with the simulations of radiation damage effects in metals. We address a range of issues including the suitability of potentials for large-scale simulations, the role of electronic excitations and electron energy losses, and the part played by the dynamics of internal degrees of freedom of atoms, for example magnetic excitations.
引用
收藏
页码:343 / 352
页数:10
相关论文
共 50 条
  • [41] Study of cascades damage in Ni by MD with different interatomic potentials
    Yao, Z.
    Caturla, M. J.
    Schaeublin, R.
    JOURNAL OF NUCLEAR MATERIALS, 2007, 367 : 298 - 304
  • [42] RADIATION DAMAGE OF METALS
    SERPAN, CZ
    HAWTHORN.JR
    REPORT OF NRL PROGRESS, 1967, (JUN): : 35 - &
  • [43] Machine-learning interatomic potential for radiation damage effects in bcc-iron
    Wang, Yi
    Liu, Jianbo
    Li, Jiahao
    Mei, Jinna
    Li, Zhengcao
    Lai, Wensheng
    Xue, Fei
    COMPUTATIONAL MATERIALS SCIENCE, 2022, 202
  • [44] Interatomic potentials
    Grimes, RW
    Harker, AH
    Lidiard, AB
    PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1996, 73 (01): : 1 - 1
  • [45] Interatomic potential for vanadium suitable for radiation damage simulations
    Han, SW
    Zepeda-Ruiz, LA
    Ackland, GJ
    Car, R
    Srolovitz, DJ
    JOURNAL OF APPLIED PHYSICS, 2003, 93 (06) : 3328 - 3335
  • [46] METHOD TO DERIVE INTERATOMIC POTENTIALS IN METALS FROM EXPERIMENTAL PHONON SPECTRA
    BROSENS, F
    CORNELIS, J
    WALLACE, DC
    DEVREESE, JT
    PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1977, 81 (02): : 557 - 564
  • [47] Interatomic potential for vanadium suitable for radiation damage simulations
    Han, S. (srol@princeton.edu), 1600, American Institute of Physics Inc. (93):
  • [48] 1ST-PRINCIPLES INTERATOMIC POTENTIALS IN TRANSITION-METALS
    MORIARTY, JA
    PHYSICAL REVIEW LETTERS, 1985, 55 (14) : 1502 - 1505
  • [49] INTERATOMIC POTENTIALS FOR DESCRIBING IMPURITY ATOMS OF LIGHT ELEMENTS IN FCC METALS
    Poletaev, G. M.
    Zorya, I., V
    Rakitin, R. Y.
    Iliina, M. A.
    MATERIALS PHYSICS AND MECHANICS, 2019, 42 (04): : 380 - 388
  • [50] Embedded-atom interatomic potentials for hydrogen in metals and intermetallic alloys
    Ruda, M
    Farkas, D
    Abriata, J
    PHYSICAL REVIEW B, 1996, 54 (14): : 9765 - 9774