03. 03. 2008
Kai Nordlund, Sergei L. Dudarev
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. To cite this article: K. Nordlund, S.L. Dudarev, C. R. Physique 9 (2008).
