›› 2014, Vol. 23 ›› Issue (8): 83101-083101.doi: 10.1088/1674-1056/23/8/083101

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

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

冯雅a b, 祝捷a, 唐大伟a   

  1. a Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing 100190, China;
    b University of Chinese Academy of Sciences, Beijing 100049, China
  • 收稿日期:2013-10-13 修回日期:2013-12-24 出版日期:2014-08-15 发布日期:2014-08-15
  • 基金资助:
    Project supported by the National Basic Research Program of China (Grant No. 2012CB933200) and the National Natural Science Foundation of China (Grant No. 51206167).

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

Feng Ya (冯雅)a b, Zhu Jie (祝捷)a, Tang Da-Wei (唐大伟)a   

  1. a Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing 100190, China;
    b University of Chinese Academy of Sciences, Beijing 100049, China
  • Received:2013-10-13 Revised:2013-12-24 Online:2014-08-15 Published:2014-08-15
  • Contact: Zhu Jie E-mail:zhujie@iet.cn
  • Supported by:
    Project supported by the National Basic Research Program of China (Grant No. 2012CB933200) and the National Natural Science Foundation of China (Grant No. 51206167).

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摘要： 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.

关键词: single-walled carbon nanotube, thermal conductivity, chiral angle, molecular dynamics simulation

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.

Key words: single-walled carbon nanotube, thermal conductivity, chiral angle, molecular dynamics simulation

中图分类号:  (Molecule transport characteristics; molecular dynamics; electronic structure of polymers)

  • 31.15.at
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))