中国物理B ›› 2018, Vol. 27 ›› Issue (2): 26501-026501.doi: 10.1088/1674-1056/27/2/026501

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Thermal conductivity of carbon nanotube superlattices: Comparative study with defective carbon nanotubes

Kui-Kui Zhou(周魁葵), Ning Xu(徐 宁), Guo-Feng Xie(谢国锋)   

  1. 1. Hunan Key Laboratory of Micro-Nano Energy Materials and Devices, School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, China;
    2. Deparment of Physics, Yancheng Institute of Technology, Yancheng 224051, China
  • 收稿日期:2017-09-26 修回日期:2017-11-08 出版日期:2018-02-05 发布日期:2018-02-05
  • 通讯作者: Ning Xu, Guo-Feng Xie E-mail:xuning79530@126.com;gfxie@xtu.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11404278 and 11275163) and the Science Foundation of Hunan Province, China (Grant No. 2016JJ2131).

Thermal conductivity of carbon nanotube superlattices: Comparative study with defective carbon nanotubes

Kui-Kui Zhou(周魁葵)1,2, Ning Xu(徐 宁)1,2, Guo-Feng Xie(谢国锋)1   

  1. 1. Hunan Key Laboratory of Micro-Nano Energy Materials and Devices, School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, China;
    2. Deparment of Physics, Yancheng Institute of Technology, Yancheng 224051, China
  • Received:2017-09-26 Revised:2017-11-08 Online:2018-02-05 Published:2018-02-05
  • Contact: Ning Xu, Guo-Feng Xie E-mail:xuning79530@126.com;gfxie@xtu.edu.cn
  • About author:65.80.-g; 63.22.-m
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11404278 and 11275163) and the Science Foundation of Hunan Province, China (Grant No. 2016JJ2131).

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摘要： We use molecular dynamics simulation to calculate the thermal conductivities of (5, 5) carbon nanotube superlattices (CNTSLs) and defective carbon nanotubes (DCNTs), where CNTSLs and DCNTs have the same size. It is found that the thermal conductivity of DCNT is lower than that of CNTSL at the same concentration of Stone-Wales (SW) defects. We perform the analysis of heat current autocorrelation functions and observe the phonon coherent resonance in CNTSLs, but do not observe the same effect in DCNTs. The phonon vibrational eigen-mode analysis reveals that all modes of phonons are strongly localized by SW defects. The degree of localization of CNTSLs is lower than that of DCNTs, because the phonon coherent resonance results in the phonon tunneling effect in the longitudinal phonon mode. The results are helpful in understanding and tuning the thermal conductivity of carbon nanotubes by defect engineering.

关键词: thermal conductivity, carbon nanotube superlattices, defective carbon nanotubes, phonon coherent resonance

Abstract: We use molecular dynamics simulation to calculate the thermal conductivities of (5, 5) carbon nanotube superlattices (CNTSLs) and defective carbon nanotubes (DCNTs), where CNTSLs and DCNTs have the same size. It is found that the thermal conductivity of DCNT is lower than that of CNTSL at the same concentration of Stone-Wales (SW) defects. We perform the analysis of heat current autocorrelation functions and observe the phonon coherent resonance in CNTSLs, but do not observe the same effect in DCNTs. The phonon vibrational eigen-mode analysis reveals that all modes of phonons are strongly localized by SW defects. The degree of localization of CNTSLs is lower than that of DCNTs, because the phonon coherent resonance results in the phonon tunneling effect in the longitudinal phonon mode. The results are helpful in understanding and tuning the thermal conductivity of carbon nanotubes by defect engineering.

Key words: thermal conductivity, carbon nanotube superlattices, defective carbon nanotubes, phonon coherent resonance

中图分类号:  (Thermal properties of small particles, nanocrystals, nanotubes, and other related systems)

  • 65.80.-g
63.22.-m (Phonons or vibrational states in low-dimensional structures and nanoscale materials)