Nose-Hoover thermostat length effect on thermal conductivity of single wall carbon nanotubes

被引：29

作者：

Shelly, Robert A. ^{[1
]}

Toprak, Kasim ^{[1
]}

Bayazitoglu, Yildiz ^{[1
]}

机构：

[1] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA

来源：

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER | 2010年 / 53卷 / 25-26期

关键词：

Molecular dynamics; Conduction; Carbon nanotube; Thermal conductivity; MOLECULAR-DYNAMICS SIMULATIONS; HEAT-CONDUCTION;

D O I：

10.1016/j.ijheatmasstransfer.2010.06.054

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

Non-equilibrium molecular dynamics simulations are used to determine the thermal conductivities of single wall carbon nanotubes. By fixing opposing ends of an armchair single wall carbon nanotube with a Nose-Hoover thermostat, the length dependence of thermal conductivities of single wall carbon nanotubes were studied in a vacuum. Specifically, single wall carbon nanotubes of 12.3 nm, 24.6 nm, and 36.9 nm lengths with varying fixed end temperatures were analyzed to determine thermal conductivities. In addition, the fixed end temperature lengths of single wall carbon nanotubes were varied to see convergence of the temperature profiles. (C) 2010 Elsevier Ltd. All rights reserved.

引用

页码：5884 / 5887

页数：4

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