Journal
COMPTES RENDUS PHYSIQUE
Volume 9, Issue 3-4, Pages 343-352Publisher
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.crhy.2007.10.012
Keywords
neutron irradiation; radiation damage
Funding
- Engineering and Physical Sciences Research Council [EP/G003955/1, GR/S81155/01] Funding Source: researchfish
- EPSRC [EP/G003955/1] Funding Source: UKRI
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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.
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