Abstract
The thermal conductivity of (5, 5) single-walled carbon nanotubes (SWNTs) with an internal heat source is investigated by using nonequilibrium molecular dynamics (NEMD) simulation incorporating uniform heat source and heat source-and-sink schemes. Compared with SWNTs without an internal heat source, i.e., by a fixed-temperature difference scheme, the thermal conductivity of SWNTs with an internal heat source is much lower, by as much as half in some cases, though it still increases with an increase of the tube length. Based on the theory of phonon dynamics, a function called the phonon free path distribution is defined to develop a simple one-dimensional heat conduction model considering an internal heat source, which can explain diffusive-ballistic heat transport in carbon nanotubes well.
Similar content being viewed by others
References
Iijima S.: Nature 354, 56 (1991)
Baughman R.H., Zakhidov A.A., de Heer W.A.: Science 297, 787 (2002)
Kim P., Shi L., Majumdar A., McEuen P.L.: Phys. Rev. Lett. 87, 215502 (2001)
Fujii M., Zhang X., Xie H.Q., Ago H., Takahashi K., Ikuta T.: Phys. Rev. Lett. 95, 065502 (2005)
Yu C., Shi L., Yao Z., Li D.Y., Majumdar A.: Nanotechnol. Lett. 5, 1842 (2005)
Pop E., Mann D., Wang Q., Goodson K., Dai H.J.: Nanotechnol. Lett. 6, 96 (2006)
Cao J.X., Yan X.H., Xiao Y., Ding J.W.: Phys. Rev. B 69, 073407 (2004)
Mingo N., Broido D.A.: Nanotechnol. Lett. 5, 1221 (2005)
Berber S., Kwon Y.K., Tomanek D.: Phys. Rev. Lett. 84, 4613 (2000)
Li B.W., Wang J., Wang L., Zhang G.: Chaos 15, 015121 (2005)
Bi K.D., Chen Y.F., Yang J.K., Wang Y.J., Chen M.H.: Phys. Lett. A 350, 150 (2005)
Q.W. Hou, B.Y. Cao, Z.Y. Guo, Acta Phys. Sin. 58, 7809 (2009) (in Chinese)
Cao B.Y., Li Y.W.: J. Chem. Phys. 133, 024106 (2010)
Brenner D.W.: Phys. Rev. B 42, 9458 (1990)
Allen M.P., Tildesley D.J.: Computer Simulation of Liquids. Oxford University, New York (1989)
Hoover W.G.: Phys. Rev. A 31, 1695 (1985)
Müller-Plathe F.: J. Chem. Phys. 106, 6082 (1997)
Jiang J.W., Chen J., Wang J.S., Li B.W.: Phys. Rev. B 80, 052301 (2009)
Peierls R.E.: Quantum Theory of Solids. Oxford University, New York (1955)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Li, YW., Cao, BY. Thermal Conductivity of Single-Walled Carbon Nanotube with Internal Heat Source Studied by Molecular Dynamics Simulation. Int J Thermophys 34, 2361–2370 (2013). https://doi.org/10.1007/s10765-011-1004-0
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10765-011-1004-0