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

doi:10.1088/1674-1056/27/2/026501

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. 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. 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).

摘要/Abstract

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)

周魁葵, 徐宁, 谢国锋. Thermal conductivity of carbon nanotube superlattices: Comparative study with defective carbon nanotubes[J]. 中国物理B, 2018, 27(2): 26501-026501.

Kui-Kui Zhou(周魁葵), Ning Xu(徐宁), Guo-Feng Xie(谢国锋). Thermal conductivity of carbon nanotube superlattices: Comparative study with defective carbon nanotubes[J]. Chin. Phys. B, 2018, 27(2): 26501-026501.

参考文献 45

[1]	Iijima S 1991 Nature 354 56
[2]	De Volder M F, Tawfick S H, Baughman R H and Hart A J 2013 Science 339 535
[3]	Javey A, Qi P, Wang Q and Dai H 2004 Proc. Natl. Acad. Sci. USA 101 13408
[4]	Pop E, Mann D, Wang Q, Goodson K and Dai H 2006 Nano Lett. 6 96
[5]	Deng F and Zheng Q S 2008 Appl. Phys. Lett. 92 071902
[6]	Ujereh S, Fisher T and Mudawar I 2007 Int. J. Heat Mass Transfer 50 4023
[7]	Cola B A, Xu X and Fisher T S 2007 Appl. Phys. Lett. 90 093513
[8]	Zhang K, Chai Y, Yuen M M F, Xiao D G W and Chan P C H 2008 Nanotechnology 19 215706
[9]	Balandin A A 2011 Nat. Mater. 10 569
[10]	Sadeghi M M, Pettes M T and Shi L 2012 Solid State Commun. 152 1321
[11]	Zhang G and Li B 2010 Nanoscale 2 1058
[12]	Li N, Ren J, Wang L, Zhang G, H? nggi P and Li B 2012 Rev. Mod. Phys. 84 1045
[13]	Marconnet A M, Panzer M A and Goodson K E 2013 Rev. Mod. Phys. 85 1295
[14]	Yang N, Xu X, Zhang G and Li B 2012 AIP Adv. 2 041410
[15]	Zhan H, Zhang Y, Bell J M, Mai Y-W and Gu Y 2014 Carbon 77 416
[16]	Maruyama S 2002 Physica B 323 193
[17]	Zhang G and Li B 2005 J. Chem. Phys. 123 114714
[18]	Chang C W, Okawa D, Garcia H, Majumdar A and Zettl A 2008 Phys. Rev. Lett. 101 075903
[19]	Pan R Q, Xu Z J, and Dai C X 2014 Chin. Phys. Lett. 31 16501
[20]	Che J, Cagin T and Goddard Ⅲ W A 2000 Nanotechnology 11 65
[21]	Kondo N, Yamamoto T and Watanabe K 2006 e-J. Surf. Sci. Nanotech. 4 239
[22]	Feng D L, Feng Y H, Chen Y, Li W and Zhang X X 2013 Chin. Phys. B 22 016501
[23]	Li W, Feng Y H, Peng J and Zhang X X 2012 J. Heat Transfer 134 092401
[24]	Xie G F, Shen Y L, Wei X L, Yang L W, Xiao H P, Zhong J X and Zhang G 2014 Sci. Rep. 4 5085
[25]	Wang Y C, Zhang K W and Xie G F 2016 Appl. Surf. Sci. 360 107
[26]	Xie G F, Guo Y, Wei X L, Zhang K W, Sun L Z, Zhong J X, Zhang G and Zhang Y W 2014 Appl. Phys. Lett. 104 233901
[27]	Li W, Feng Y H, Chen Y, and Zhang X X 2012 Acta Phys. Sin. 61 136102(in Chinese)
[28]	Xie G F, and Shen Y L 2015 Phys. Chem. Chem. Phys. 17 8822
[29]	M"uller-Plathe F 1997 J. Chem. Phys. 106 6082
[30]	Stuart S J, Tutein A B and Harrison J A 2000 J. Chem. Phys. 112 6472
[31]	Brenner D W, Shenderova O A, Harrison J A, Stuart S J, Ni B and Sinnott S B 2002 J. Phys.:Condens. Matter 14 783
[32]	Grujicic M, Cao G and Gersten B 2004 Matter Sci. Eng. B 107 204
[33]	Ren C, Zhang W, Xu Z, Zhu Z and Huai P 2010 J. Phys. Chem. C 114 5786
[34]	Xu Z and Buehler M J 2009 Nanotechnology 20 185701
[35]	Wei N, Xu L, Wang H Q and Zheng J C 2011 Nanotechnology 22 105705
[36]	Plimpton S 1995 J. Comput. Phys. 117 1
[37]	Mizoguchi K, Matsutani K, Hase M, Nakashima S and Nakayama M 1998 Physica B 249 887
[38]	Chen J, Zhang G and Li B 2011 J. Chem. Phys. 135 104508
[39]	Che J, Çağin T, Deng W and Goddard W A 2000 J. Chem. Phys. 113 6888
[40]	McGaughey A J H and Kaviany M 2004 Int. J. Heat Mass Transfer 47 1783
[41]	Chen J, Zhang G and Li B 2010 Phys. Lett. A 374 2392
[42]	Bodapati A, Schelling P K, Phillpot S R and Keblinski P 2006 Phys. Rev. B 74 245207
[43]	Xie G F, Li B H, Yang L W, Cao J X, Guo Z X, Tang M H and Zhong J X 2013 J. Appl. Phys. 113 083501
[44]	Schelling P K and Phillpot S R 2001 J. Am. Ceram. Soc. 84 2997
[45]	Chen G 1999 J. Heat Transfer 121 945

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

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

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