Abstract
Radiation damage is traditionally modelled using cascade simulations, and the effect ofinelastic scattering by electrons, if included, is introduced via a friction term in theequation of motion. We have developed a model in which the molecular dynamicssimulation is coupled to a model for the electronic energy, which evolves via the heatdiffusion equation. Energy lost by the atoms, due electronic stopping or electron–ioninteractions, is input to the electronic system via a source term in the diffusion equation.Energy is fed back to the atomic system from the hot electrons by means of a Langevinthermostat, which depends on the local electronic temperature. Results of the model arepresented for 10 keV cascades in Fe.
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