Molecular dynamics simulation of an argon cluster filled inside carbon nanotubes

被引：4

作者：

Cui Shu-Wen ^{[1
,2
,3
]}

Zhu Ru-Zeng ^{[2
,3
]}

Wang Xiao-Song ^{[4
]}

Yang Hong-Xiu ^{[5
]}

机构：

[1] Cangzhou Normal Univ, Dept Phys & Elect Informat, Cangzhou 061001, Peoples R China

[2] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China

[3] Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing 100190, Peoples R China

[4] Henan Polytech Univ, Inst Mech & Power Engn, Jiaozuo 454003, Peoples R China

[5] Cangzhou Normal Univ, Cangzhou Normal Univ Lib, Cangzhou 061001, Peoples R China

来源：

CHINESE PHYSICS B | 2014年 / 23卷 / 10期

基金：

中国国家自然科学基金;

关键词：

carbon nanotubes; argon cluster; molecular dynamics simulation; LIGHT-SCATTERING;

D O I：

10.1088/1674-1056/23/10/106105

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The effects of the diameters of single-walled carbon nanotubes (SWCNTs) (7.83 angstrom to 27.40 angstrom) 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

页数：5

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