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

Fursov E.V., Kosilov A.T., Pryadilshchikov A.Y.
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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
Citation in English: Fursov E.V., Kosilov A.T., Pryadilshchikov A.Y. Effect of the surface on characteristics of amorphization Ni-Ag system // Computer Research and Modeling, 2014, vol. 6, no. 2, pp. 263-269
Citation in English: Fursov E.V., Kosilov A.T., Pryadilshchikov A.Y. Effect of the surface on characteristics of amorphization Ni-Ag system // Computer Research and Modeling, 2014, vol. 6, no. 2, pp. 263-269
DOI: 10.20537/2076-7633-2014-6-2-263-269
URL: http://crm-en.ics.org.ru/journal/article/2143/
Creative Commons License This work is licensed under a Creative Commons Attribution-NoDerivs 3.0 Unported License.
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