Heat conduction of double-walled carbon nanotubes (DWCNTs) with intertube additional carbon atoms was investigated using molecular dynamics (MD) simulation method. The interaction between carbon atoms was modeled using the Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) Potential. The related phonon density of states (DOS) was analyzed to help explain the heat conduction mechanism. It is indicated that intertube additional atoms of DWCNT will weaken the heat conduction along the axis. The addition of intertube atoms, which are covalently bonded to the inner and outer tubes, leads to localized structural deformation, which acting as a phonon barrier for ballistic heat transport. In addition, the intertube atoms become the new centers of phonon scattering and reduce VDOS. The deformation is the primary reason for the reduction of thermal conductivity. With the increasing number of additional atoms, the thermal conductivity of DWCNTs with atoms added at the same cross section drops sharply than that added along the tube axis, because the former addition causes more serious local deformation. Under the situation of addition at the cross section, if the number of intertube atoms is beyond a critical value, the distribution of these atoms seems to have little influences on the heat conduction in the tube.
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ASME 2014 12th International Conference on Nanochannels, Microchannels, and Minichannels collocated with the ASME 2014 4th Joint US-European Fluids Engineering Division Summer Meeting
August 3–7, 2014
Chicago, Illinois, USA
Conference Sponsors:
- Fluids Engineering Division
ISBN:
978-0-7918-4627-8
PROCEEDINGS PAPER
Heat Conduction Simulation in Double-Walled Carbon Nanotubes With Intertube Additional Atoms
Peng Tan,
Peng Tan
University of Science and Technology Beijing, Beijing, China
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Yanhui Feng,
Yanhui Feng
University of Science and Technology Beijing, Beijing, China
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Liu Cui,
Liu Cui
University of Science and Technology Beijing, Beijing, China
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Xinxin Zhang
Xinxin Zhang
University of Science and Technology Beijing, Beijing, China
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Peng Tan
University of Science and Technology Beijing, Beijing, China
Yanhui Feng
University of Science and Technology Beijing, Beijing, China
Liu Cui
University of Science and Technology Beijing, Beijing, China
Xinxin Zhang
University of Science and Technology Beijing, Beijing, China
Paper No:
ICNMM2014-22191, V001T12A014; 8 pages
Published Online:
December 17, 2014
Citation
Tan, P, Feng, Y, Cui, L, & Zhang, X. "Heat Conduction Simulation in Double-Walled Carbon Nanotubes With Intertube Additional Atoms." Proceedings of the ASME 2014 12th International Conference on Nanochannels, Microchannels, and Minichannels collocated with the ASME 2014 4th Joint US-European Fluids Engineering Division Summer Meeting. ASME 2014 12th International Conference on Nanochannels, Microchannels and Minichannels. Chicago, Illinois, USA. August 3–7, 2014. V001T12A014. ASME. https://doi.org/10.1115/ICNMM2014-22191
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