Combustion, Explosion, and Shock Waves

, Volume 49, Issue 4, pp 442–449

Complex modeling of melting of an aluminum nanoparticle

Article

DOI: 10.1134/S0010508213040072

Cite this article as:
Fedorov, A.V. & Shulgin, A.V. Combust Explos Shock Waves (2013) 49: 442. doi:10.1134/S0010508213040072
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Abstract

A semi-empirical model of molecular dynamics is proposed within the molecular dynamics approach. The model is verified against the experimental dependence of the melting temperature of aluminum nanoparticles on their size. The specific heat of the particle and the phase transition heat are determined as functions of the initial size and temperature of the particle. It is demonstrated that these dependences tend to the limiting dependences, which describe the particle size in the volume phase, as the particle size increases. A comparison of the aluminum nanoparticle melting characteristics calculated by the model of molecular dynamics and by the phenomenological model reveals reasonable agreement in terms of the melting time.

Keywords

molecular dynamicsnanoparticlesmeltingspecific heat

Copyright information

© Pleiades Publishing, Ltd. 2013

Authors and Affiliations

  1. 1.Khristianovich Institute of Theoretical and Applied Mechanics, Siberian BranchRussian Academy of SciencesNovosibirskRussia