Molecular Dynamics and Phenomenological Simulations of an Aluminum Nanoparticle
A. V. Fedorov, A. V. Shulgin
Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia
Keywords: молекулярная динамика, наночастицы, плавление, теплоемкость, теплопроводность, molecular dynamics, nanoparticles, melting, specific heat, thermal conductivity
Abstract
Molecular dynamics simulations of melting of aluminum nanoparticles are performed with the use of the DL_POLY software package and embedded atom potential method for determining the thermal conductivity. Analytical approximations for the dependences of the thermal conductivity and specific heat on the temperature and particle size are reported. Based on the thermophysical parameters obtained in the study, the problem of nanoparticle melting is solved within the framework of the phenomenological approach.
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