This article is cited in 7 papers

Numerical analysis of the atomic structure and shape of metal nanoparticles

A. V. Vakhrouchev, A. M. Lipanov

Institute of Mathematics and Mechanics, Ural Division, Russian Academy of Sciences, ul. T. Baramzinoi 34, Izhevsk, 426067, Russia

Abstract: Numerical simulation methods in the framework of molecular dynamics are used to study the emergence and development of amorphous, crystalline, and polycrystalline phases and their spread to the entire volume of a nanoparticle as it increases. Numerical results are presented for the parameters characterizing these processes in metal nanoparticles produced by top-down techniques. The basic features of nanoparticle formation in top-down processes and the properties of the nanoparticle structure are described.

Key words: nanoparticles, structure, molecular dynamics method, numerical modeling, metal nanoparticles.

UDC: 519.634

Received: 01.03.2006
Revised: 08.12.2006

 English version: Computational Mathematics and Mathematical Physics, 2007, 47:10, 1702–1711

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