Mathematical modelling radiation impact on nanostructures

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Abstract

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.

Original Russian Text © E.N. Voronina, L.S. Novikov, 2013, published in Izvestiya Rossiiskoi Akademii Nauk. Seriya Fizicheskaya, 2013, Vol. 77, No. 7, pp. 897–903.