Work

Including the effects of electronic stopping and electron–ion interactions in radiation damage simulations

Year: 2006

Type: article

Abstract: Radiation damage is traditionally modelled using cascade simulations, and the effect of inelastic scattering by electrons, if included, is introduced via a friction term in the equation of motion. We have developed a model in which the molecular dynamics simulation is coupled to a model for the electronic energy, which evolves via the heat diffusion equation. Energy lost by the atoms, due electronic stopping or electron–ion interactions, 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 Langevin thermostat, which depends on the local electronic temperature. Results of the model are presented for 10 keV cascades in Fe.

Source: Journal of Physics Condensed Matter

DOI: 10.1088/0953-8984/19/1/016207

Authors: D M Duffy, A M Rutherford

Institution: Culham Science Centre

Language: English

Topic: Fusion materials and technologies

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: European Commission, Engineering and Physical Sciences Research Council

Awards: UK Fusion Programme, G6472774971