Molecular dynamics and phenomenological simulations of an aluminum nanoparticle

被引：10
|
作者：
Fedorov, A. V. [1 ]
Shulgin, A. V. [1 ]
机构：
[1] Russian Acad Sci, Khristianovich Inst Theoret & Appl Mech, Siberian Branch, Novosibirsk 630090, Russia
来源：
COMBUSTION EXPLOSION AND SHOCK WAVES | 2016年 / 52卷 / 03期
基金：
俄罗斯基础研究基金会;
关键词：
molecular dynamics; nanoparticles; melting; specific heat; thermal conductivity; IRREVERSIBLE-PROCESSES; SIZE;
D O I：
10.1134/S0010508216030060
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
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.
引用
收藏
页码：294 / 299
页数：6
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