Proceedings of the International Conference “Nucleus-2012”. “Fundamental Problems of Nuclear Physics, Atomic Power Engineering and Nuclear Technologies” (The 62nd International Conference on Nuclear Spectroscopy and the Structure of Atomic Nuclei)

Bulletin of the Russian Academy of Sciences: Physics

, Volume 77, Issue 7, pp 814-819

First online:

Mathematical modelling radiation impact on nanostructures

  • E. N. VoroninaAffiliated withSkobeltsyn Research Institute of Nuclear Physics, Moscow State University Email author 
  • , L. S. NovikovAffiliated withSkobeltsyn Research Institute of Nuclear Physics, Moscow State University

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The main methods for simulating the impact of radiation on nanostructures are considered. The quantum mechanical density functional method and the semi-empirical density functional tight-binding method are chosen on the basis of an analysis of their applicability to studying the formation of radiation defects in nanostructures in different ranges of space-time. The results from simulating vacancy formation in carbon and boron nitride nanostructures under the impact of H and O atoms with energies of 1–200 eV are presented.