Theoretical Study on the Propagation of Acoustic Phonon Modes in Single-Wall Carbon Nanotubes by Different Potential Models

被引：0

作者：

Cao Bing ^{[1
,2
]}

Zhang Wei ^{[1
]}

Huai Ping ^{[1
]}

Zhu Zhi-Yuan ^{[1
]}

机构：

[1] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China

[2] Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China

来源：

CHINESE PHYSICS LETTERS | 2009年 / 26卷 / 08期

关键词：

THERMAL-CONDUCTIVITY; HYDROCARBONS;

D O I：

10.1088/0256-307X/26/8/087101

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Propagation of a heat pulse in (10,0) zig-zag carbon nanotubes, modeled by the Brenner-II and Tersoff bond-order potentials, respectively, is investigated using a molecular dynamics simulation. The longitudinal acoustic mode, twisting phonon mode, and second sound waves are observed in the simulation. The time variations of speed and intensity of the above three phonon modes are in good agreement with the previous works based on the Brenner-I potential. Higher speed and weaker peak intensity are observed in the simulation of the Tersoff potential. The inherent over-binding of radicals and the non-local effects in Tersoff's covalent-bonding formula may play an important role in the heat pulse propagating simulation.

引用

页数：3

共 16 条

[1] Unusually high thermal conductivity of carbon nanotubes [J].

Berber, S ;

Kwon, YK ;

Tománek, D .

PHYSICAL REVIEW LETTERS, 2000, 84 (20) :4613-4616

[2] EMPIRICAL POTENTIAL FOR HYDROCARBONS FOR USE IN SIMULATING THE CHEMICAL VAPOR-DEPOSITION OF DIAMOND FILMS [J].

BRENNER, DW .

PHYSICAL REVIEW B, 1990, 42 (15) :9458-9471

[3] A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons [J].

Brenner, DW ;

Shenderova, OA ;

Harrison, JA ;

Stuart, SJ ;

Ni, B ;

Sinnott, SB .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (04) :783-802

[4] Anomalous thermal conductivity enhancement in nanotube suspensions [J].

Choi, SUS ;

Zhang, ZG ;

Yu, W ;

Lockwood, FE ;

Grulke, EA .

APPLIED PHYSICS LETTERS, 2001, 79 (14) :2252-2254

[5] Molecular dynamic simulation of heat pulse propagation in multiwall carbon nanotubes [J].

Kim, Taejin ;

Osman, Mohamed A. ;

Richards, Cecilia D. ;

Bahr, David F. ;

Richard, Robert F. .

PHYSICAL REVIEW B, 2007, 76 (15)

[6] Flexure modes in carbon nanotubes [J].

Mahan, GD ;

Jeon, GS .

PHYSICAL REVIEW B, 2004, 70 (07) :075405-1

[7] Oscillations of a thin hollow cylinder: Carbon nanotubes [J].

Mahan, GD .

PHYSICAL REVIEW B, 2002, 65 (23) :1-7

[8] A molecular dynamics simulation of heat conduction in finite length SWNTs [J].

Maruyama, S .

PHYSICA B-CONDENSED MATTER, 2002, 323 (1-4) :193-195

[9] HEAT PULSES IN NAF . ONSET OF SECOND SOUND [J].

MCNELLY, TF ;

ROGERS, SJ ;

CHANNIN, DJ ;

ROLLEFSON, RJ ;

GOUBAU, WM ;

SCHMIDT, GE ;

KRUMHANSL, JA ;

POHL, RO .

PHYSICAL REVIEW LETTERS, 1970, 24 (03) :100-+

[10] Molecular dynamics simulation of heat pulse propagation in single-wall carbon nanotubes [J].

Osman, MA ;

Srivastava, D .

PHYSICAL REVIEW B, 2005, 72 (12)

← 1 2 →