Thermal Conductivity of Solid Argon Nano-films from Molecular Dynamics Simulations

被引：1

作者：

Ma Lian-xiang ^{[1
]}

Tang Yuan-zheng ^{[1
]}

He Yan ^{[1
]}

机构：

[1] Qingdao Univ Sci & Technol, Coll Electromech Engn, Shandong Prov Key Lab Polymer Mat Adv Manufactori, Qingdao 266061, Shandong, Peoples R China

来源：

ADVANCED POLYMER SCIENCE AND ENGINEERING | 2011年 / 221卷

关键词：

nano-films; thermal conductivity; molecular dynamics;

D O I：

10.4028/www.scientific.net/AMR.221.598

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

Thermal conductivity of L-J potential solid argon nano-films is calculated by equilibrium molecular dynamics (EMD) and nonequilibrium molecular dynamics (NEMD) simulations in the temperature range from 30K to 80K. A LAMMPS computer program has been modified based on classical molecular dynamics. It can be directly used to calculate the thermal conductivity of nano-films in the direction perpendicular to the film plane. Thermal conductivity calculated from this program is compared with experimental data. It is found that this computer program is competent to calculate the thermal conductivity of solid nano-films. It is also found that thermal conductivity is dependent on the simulation temperature and film thickness.

引用

页码：598 / 603

页数：6

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