The thermal rectification in nanotubes with a mass gradient is studied by reverse non-equilibrium molecular dynamics simulations. We predict a preferred heat flow from light to heavy atoms which differs from the preferential direction in one-dimensional monoatomic systems. This behavior of nanotubes is explained by anharmonicities caused by transverse motions which are stronger at the low-mass end. The present simulations show an enhanced rectification with increasing tube length, diameter and mass gradient. Implications of the present findings for applied topics are mentioned concisely.
%0 Journal Article
%1 alaghemandi2010thermal
%A Alaghemandi, Mohammad
%A Leroy, Frédéric
%A Algaer, Elena
%A Böhm, Michael C
%A Müller-Plathe, Florian
%D 2010
%J Nanotechnology
%K Heat-Transfer Heat-Transfer-Solids NEMD myown
%N 7
%P 075704
%T Thermal rectification in mass-graded nanotubes: a model approach in the framework of reverse non-equilibrium molecular dynamics simulations
%U http://iopscience.iop.org/0957-4484/21/7/075704/
%V 21
%X The thermal rectification in nanotubes with a mass gradient is studied by reverse non-equilibrium molecular dynamics simulations. We predict a preferred heat flow from light to heavy atoms which differs from the preferential direction in one-dimensional monoatomic systems. This behavior of nanotubes is explained by anharmonicities caused by transverse motions which are stronger at the low-mass end. The present simulations show an enhanced rectification with increasing tube length, diameter and mass gradient. Implications of the present findings for applied topics are mentioned concisely.
@article{alaghemandi2010thermal,
abstract = {The thermal rectification in nanotubes with a mass gradient is studied by reverse non-equilibrium molecular dynamics simulations. We predict a preferred heat flow from light to heavy atoms which differs from the preferential direction in one-dimensional monoatomic systems. This behavior of nanotubes is explained by anharmonicities caused by transverse motions which are stronger at the low-mass end. The present simulations show an enhanced rectification with increasing tube length, diameter and mass gradient. Implications of the present findings for applied topics are mentioned concisely.},
added-at = {2011-11-03T08:02:38.000+0100},
author = {Alaghemandi, Mohammad and Leroy, Frédéric and Algaer, Elena and Böhm, Michael C and Müller-Plathe, Florian},
biburl = {https://www.bibsonomy.org/bibtex/2a2b42d1e424a7535f6c01927c401bfc7/fhrleroy},
interhash = {c7456e4e7b18b896167110481f520771},
intrahash = {a2b42d1e424a7535f6c01927c401bfc7},
journal = {Nanotechnology},
keywords = {Heat-Transfer Heat-Transfer-Solids NEMD myown},
number = 7,
pages = 075704,
timestamp = {2012-08-12T14:04:15.000+0200},
title = {Thermal rectification in mass-graded nanotubes: a model approach in the framework of reverse non-equilibrium molecular dynamics simulations},
url = {http://iopscience.iop.org/0957-4484/21/7/075704/},
volume = 21,
year = 2010
}