Article

Combustion, Explosion, and Shock Waves

, Volume 49, Issue 4, pp 442-449

Complex modeling of melting of an aluminum nanoparticle

  • A. V. FedorovAffiliated withKhristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch, Russian Academy of Sciences Email author 
  • , A. V. ShulginAffiliated withKhristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch, Russian Academy of Sciences

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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 dynamics nanoparticles melting specific heat