Incorporating Electronic Effects in Molecular Dynamics Simulations of Neutron and Ion-Induced Collision Cascades
Molecular dynamics offers an ideal method for investigating the evolution of collision cascades and the formation of the resulting primary radiation damage. However, several modifications to classical molecular dynamics are needed in order to facilitate simulating the highly non-equilibrium cascade process. One such modification, which is still a point of active research, concerns methods by which electronic effects, which are expected to be important in collision cascades, can be included in molecular dynamics simulations, where a priori atoms are treated as classical particles and electrons are only present implicitly through the atomic interactions represented by the interatomic potential. This chapter describes current methods by which electronic effects can be accounted for in cascade simulations, with special focus on the developments in the field that have taken place over the last 10 years.
This work was supported by the Academy of Finland through project No.~311472.
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