Influence of chirality on the thermal conductivity of single-walled carbon nanotubes

doi:10.1088/1674-1056/23/8/083101

Abstract The influence of chirality on the thermal conductivity of single-walled carbon nanotubes (SWNTs) is discussed in this paper, using a non-equilibrium molecular dynamics (NEMD) method. The tube lengths of the SWNTs studied here are 20, 50, and 100 nm, respectively, and at each length the relationship between chiral angle and thermal conductivity of a SWNT is revealed. We find that if the tube length is relatively short, the influence of chirality on the thermal conductivity of a SWNT is more obvious and that a SWNT with a larger chiral angle has a greater thermal conductivity. Moreover, the thermal conductivity of a zigzag SWNT is smaller than that of an armchair one. As the tube length becomes longer, the thermal conductivity increases while the influence of chirality on the thermal conductivity decreases.

Keywords: single-walled carbon nanotube thermal conductivity chiral angle molecular dynamics simulation

Received: 13 October 2013
Revised: 24 December 2013
Accepted manuscript online:

PACS:	31.15.at	(Molecule transport characteristics; molecular dynamics; electronic structure of polymers)
	63.22.-m	(Phonons or vibrational states in low-dimensional structures and nanoscale materials)
	65.80.-g	(Thermal properties of small particles, nanocrystals, nanotubes, and other related systems)
	68.70.+w	(Whiskers and dendrites (growth, structure, and nonelectronic properties))

Fund: Project supported by the National Basic Research Program of China (Grant No. 2012CB933200) and the National Natural Science Foundation of China (Grant No. 51206167).

Corresponding Authors: Zhu Jie
E-mail: zhujie@iet.cn

Cite this article:

Feng Ya (冯雅), Zhu Jie (祝捷), Tang Da-Wei (唐大伟) Influence of chirality on the thermal conductivity of single-walled carbon nanotubes 2014 Chin. Phys. B 23 083101

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Influence of chirality on the thermal conductivity of single-walled carbon nanotubes

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