MODELS IN PHYSICS AND TECHNOLOGY

Effect of the surface on characteristics of amorphization Ni-Ag system

E. V. Fursov, A. T. Kosilov, A. Yu. Pryadilshchikov

Voronezh state technical university, 14 Moskovskiy pr-t, Voronezh, 394026, Russia

Abstract: Molecular dynamics simulation using the embedded-atom method is applied to study the structural evolution of the particle diameter of 40 Å during the quenching process. Was carried comparative analysis of the structural reconstruction for the particle and the bulk models. Was a reduction in temperature of the beginning and end of the transformation of the particle. In formation of a percolation cluster from interpenetrating and contacting icosahedrons, for model of the particle, it is involved for 10 percent of atoms more, than for model of a bulk.

Keywords: metal nanoparticle, molecular dynamics simulation, icosahedron.

UDC: 538.911:539.213

Received: 23.09.2014
Revised: 16.04.2014

DOI: 10.20537/2076-7633-2014-6-2-263-269