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
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