Atomistic Simulations of Heat Transport in Carbon Nanotubes Effected by Temperature and Stretch Strain

Abstract:

Carbon nanotubes (CNTs) is a well thermal transport nano materials, however, the thermal conductivity of CNTs has not been well established, only a few groups had reported experimental data and the existed simulation results ranged widely. Specially, the conclusions in low temperature section and dynamic structures were not very clearly. In this paper, the methods based on phonon scattering theory were applied to explore the thermal transport properties CNTs. The investigation was carried out under the conditions of temperature and axial strain. In the consideration of quantum effect, the thermal conductivity increased linearly with the growth of temperature in low-temperature section, and began to decrease gradually when the temperature exceeded a definite value. If an axial strain was concerned, there was an increasing trend of thermal conductivity as the stretch strain increases. However, after the strain exceeded a particular value the thermal conductivity decreased significantly. In addition, the high frequency phonon peak in PDOS was found to be an important parameter in describing thermal transport properties of dynamic structures.

• Periodical: Advanced Materials Research (Volume 320)
• Pages: 38-44
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.320.38
• Online since: August 2011
• Authors: Qing Yuan Meng, Yu Fei Gao, Xian Qin
• Keywords: Carbon Nanotube (CN), Phonon Density of State, Quantum Correction, Thermal Transport Properties

References

[1] J. C. Che¸ T Cagin, W. A. Goddard III Thermal conductivity of carbon nanotubes, Nanotechnology Vol. 11 (2000) , p.65.

[2] C. W. Chang, D. Okawa, H. Garcia, A. Majumdar, A. Zettl Naontube phonon waveguide, Phys. Rev. Lett. Vol. 99 (2007) , p.045901.

DOI: 10.1103/physrevlett.99.045901

[3] C. W. Chang, D. Okawa, A. Majumdar, A. Zettl Solid-state thermal rectifier, Science Vol. 314 (2006) , p.1121.

DOI: 10.1126/science.1132898

[4] C. W. Padgett, O. Shenderova, D.W. Brenner Thermal conductivity of diamond nanorods: molecular simulation and scaling relations, Nano Lett. Vol. 6 (2006) , p.1827.

DOI: 10.1021/nl060588t

[5] N. Mingo, L. Yang, D. Li, A. Majumdar Predicting the thermal conductivity of Si and Ge nanowires, Nano Lett. Vol. 3 (2003) , p.1713.

DOI: 10.1021/nl034721i

[6] I. Ponomareva, D. Srivastava, M. Menon Thermal conductivity in thin silicon nanowires: Phonon confinement effect, Nano Lett. Vol. 7 (2007) , p.1155.

DOI: 10.1021/nl062823d

[7] Z. H. Yao, J. S. Wang, B. W. Li, G. R. Liu Thermal conduction of carbon nanotubes using molecular dynamics, Phys. Rev. B Vol. 71 (2005) , p.085417.

[8] S. Berber, Y. K. Kwon, D. Tomanek Unusually high thermal conductivity of carbon nanotubes, Phys. Rev. Lett. Vol. 84 (2000) , p.4613.

DOI: 10.1103/physrevlett.84.4613

[9] M. A. Osman, D. Srivastava Temperature dependence of the thermal conductivity of single-wall carbon nanotubes, Nanotechnology Vol. 12 (2001) , p.21.

[10] C. W. Padgett, D. W. Brenner Influence of chemisorption on the thermal conductivity of single-wall carbon nanotubes, Nano Lett. Vol. 4 (2004) , p.1051.

DOI: 10.1021/nl049645d

[11] E. Munoz, J. X. Lu, B. I. Yakobson Ballistic thermal conductance of graphene ribbons, Nano Lett. Vol. 10 (2010) , p.1652.

DOI: 10.1021/nl904206d