Numerical modeling of radiation effects in solids: Principal features, limitations and perspectives

P. Geysermans (1)

1 INSP - Institut des Nanosciences de Paris

This paper focuses on atomistic computer modeling of radiation effects with special emphasis on the achievements of this approach as well as on its space and time scales inherent limitations. These last are the principal motivations for the development of a multiscale approach ideally consisting in a succession of models providing input information to the model acting at the immediate next time and space scales. Some methodologies used to bridge the gap between multiple space and time scales are considered together and reasons encountered preventing the approach from being predictive are examined. Moreover, we briefly comment methods improving modeling of radiation in solids.

Mots clés: radiation effects; multiscale modelling; atomistic simulations; molecular dynamics; kinetic monte carlo; density functional theory

Domaines: Matière Condensée [cond-mat]

P. Geysermans. Numerical modeling of radiation effects in solids: Principal features, limitations and perspectives. Conference of the NATO Advanced Study Institute on Materials Issues for Generation IV Systems, Sep 2007, Cargese, Unknown Region. pp.187-202, ⟨10.1007/978-1-4020-8422-5_9⟩. ⟨hal-01293331⟩