Thermal rectification of a single-wall carbon nanotube: a molecular dynamics study

We have investigated the thermal rectification phenomenon in a single-wall mass graded carbon nanotube by molecular dynamics simulation. Second generation Brenner potential has been used to model the inter atomic carbon interaction. Fixed boundary condition has been taken into account. We compare ou...

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Bibliographic Details
Published in:arXiv.org 2014-09
Main Authors: M Ebrahim Foulaadvand, Saeedi, Azadeh, Yousefi, Farrokh, Khadesadr, Saeed
Format: Article
Language:English
Subjects:
Boundary conditions
Carbon
Computer simulation
Dependence
Molecular dynamics
Nanotubes
Single wall carbon nanotubes
Online Access:Get full text
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Summary:We have investigated the thermal rectification phenomenon in a single-wall mass graded carbon nanotube by molecular dynamics simulation. Second generation Brenner potential has been used to model the inter atomic carbon interaction. Fixed boundary condition has been taken into account. We compare our findings to a previous study by Alaghemandi et al which has been done with a different potential and boundary condition. The dependence of the rectification factor \(R\) on temperature, nanotube diameter and length as well as mass gradient are obtained. It is shown that by increasing the temperature, the rectification decreases whereas by increasing the other parameters namely the mass gradient, diameter and the tube length it increases.
ISSN:2331-8422
DOI:10.48550/arxiv.1409.5342