Mathematical modelling radiation impact on nanostructures
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- Voronina, E.N. & Novikov, L.S. Bull. Russ. Acad. Sci. Phys. (2013) 77: 814. doi:10.3103/S1062873813070289
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.