Molecular dynamics simulation of an argon cluster filled inside carbon nanotubes

被引：0

作者：

崔树稳 ^{[1
,2
]}

朱如曾 ^{[2
]}

王小松 ^{[3
]}

杨洪秀 ^{[4
,5
]}

机构：

[1] Department of Physics and Electronic Information, Cangzhou Normal University

[2] State Key Laboratory of Nonlinear Mechanics (LNM) and Key Laboratory of Microgravity,Institute of Mechanics, Chinese Academy of Sciences

[3] Institute of Mechanics and Power Engineering, Henan Polytechnic University

[4] Cangzhou Normal University Library

[5] Cangzhou Normal University

来源：

Chinese Physics B | 2014年 / 10期

基金：

中国国家自然科学基金;

关键词：

carbon nanotubes; argon cluster; molecular dynamics simulation;

D O I：

暂无

中图分类号：

TB383.1 [];

学科分类号：

摘要：

The effects of the diameters of single-walled carbon nanotubes(SWCNTs)(7.83  to 27.40 ) and temperature(20 K–45 K) on the equilibrium structure of an argon cluster are systematically studied by molecular dynamics simulation with consideration of the SWCNTs to be fixed. Since the diameters of SWCNTs with different chiralities increase when temperature is fixed at 20 K, the equilibrium structures of the argon cluster transform from monoatomic chains to helical and then to multishell coaxial cylinders. Chirality has almost no noticeable influence on these cylindrosymmetric structures.The effects of temperature and a non-equilibrium sudden heating process on the structures of argon clusters in SWCNTs are also studied by molecular dynamics simulation.

引用

页码：382 / 386

页数：5

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