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Combustion, Explosion and Shock Waves

2013 year, number 4

Complex Modeling of Melting of an Aluminum Nanoparticle

A. V. Fedorov, A. V. Shulgin
Keywords: molecular dynamics, nanoparticles, melting, specific heat


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 alculated by the model of molecular dynamics and by the phenomenological model reveals reasonable agreement in terms of the melting time.