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Transversal thermal transport in single-walled carbon nanotube bundles: Influence of axial stretching and intertube bonding

Gharib Zahedi, M. R ; Sharif University of Technology | 2013

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  1. Type of Document: Article
  2. DOI: 10.1063/1.4828942
  3. Publisher: 2013
  4. Abstract:
  5. Using reverse nonequilibrium molecular dynamics simulations the influence of intermolecular bridges on the thermal conductivity (λ) in carbon nanotube (CNT) bundles has been investigated. The chosen cross linkers (CH 2, O, CO) strengthen the transversal energy transport relative to the one in CNT bundles without bridges. The results showed that λ does not increase linearly with the linker density. The efficiency of the heat transport is determined by the number of linkers in the direction of the heat flux, the type of the linker, and their spatial ordering. The influence of a forced axial stress on the transversal λ has been also studied. The observed λ reduction with increasing axial stretching in a neat CNT bundle can be (over)compensated by cross linkers. The present computational data emphasize the contribution of phonons to the transversal heat transport in CNT bundles with intertube bonds
  6. Keywords:
  7. Axial stretching ; Computational data ; Energy transport ; Intermolecular bridges ; Reverse nonequilibrium molecular dynamics ; Single-walled carbon nanotube bundle ; Spatial ordering ; Thermal transport ; Heat flux ; Heat transfer ; Molecular dynamics ; Single-walled carbon nanotubes (SWCN) ; Thermal conductivity
  8. Source: Journal of Chemical Physics ; Volume 139, Issue 18 , 2013 ; 00219606 (ISSN)
  9. URL: http://scitation.aip.org/content/aip/journal/jcp/139/18/10.1063/1.4828942