Full Content is available to subscribers

Subscribe/Learn More  >

Molecular Dynamic Simulation of Thermal Conductivity of Carbon Nano-Peapods

[+] Author Affiliations
Liu Cui, Yanhui Feng, Xinxin Zhang, Wei Li

University of Science and Technology Beijing, Beijing, China

Paper No. HT2013-17589, pp. V004T14A020; 6 pages
  • ASME 2013 Heat Transfer Summer Conference collocated with the ASME 2013 7th International Conference on Energy Sustainability and the ASME 2013 11th International Conference on Fuel Cell Science, Engineering and Technology
  • Volume 4: Heat and Mass Transfer Under Extreme Conditions; Environmental Heat Transfer; Computational Heat Transfer; Visualization of Heat Transfer; Heat Transfer Education and Future Directions in Heat Transfer; Nuclear Energy
  • Minneapolis, Minnesota, USA, July 14–19, 2013
  • Conference Sponsors: Heat Transfer Division
  • ISBN: 978-0-7918-5550-8
  • Copyright © 2013 by ASME


The thermal conductivity of carbon nano-peapods, carbon nanotube (10,10) filled with fullerene molecules, is investigated by Equilibrium Molecular Dynamic Simulation based on Green-Kubo’s equation. Carbon nano-peapods structures are built by HyperChem. C-C bonding interactions are determined by the AIREBO potential, and the Lennard-Jones potential is used for expressing nonbonding interactions. The results show that filled fullerenes lead to the increment of thermal conductivity, relative to the bare carbon nanotubes. The thermal conductivity of carbon nano-peapods always increases with the rising filling ratio only if the filling ration is less than 100%. Once the nanotube is fully filled with fullerene molecules, a sudden drop in the thermal conductivity appears due to the restriction of molecules’ axially translational motion. Thermal conductivity of carbon nano-peapods reduces first and then increases with the increasing temperature. In addition, the thermal conductivity increases sharply with the increasing length. The length of thermal conductivity convergence for carbon nano-peapods seems much shorter than for bare carbon nanotubes.

Copyright © 2013 by ASME



Interactive Graphics


Country-Specific Mortality and Growth Failure in Infancy and Yound Children and Association With Material Stature

Use interactive graphics and maps to view and sort country-specific infant and early dhildhood mortality and growth failure data and their association with maternal

Citing articles are presented as examples only. In non-demo SCM6 implementation, integration with CrossRef’s "Cited By" API will populate this tab (http://www.crossref.org/citedby.html).

Some tools below are only available to our subscribers or users with an online account.

Related Content

Customize your page view by dragging and repositioning the boxes below.

Related eBook Content
Topic Collections

Sorry! You do not have access to this content. For assistance or to subscribe, please contact us:

  • TELEPHONE: 1-800-843-2763 (Toll-free in the USA)
  • EMAIL: asmedigitalcollection@asme.org
Sign In