Issue 9, 2011

Thermal conductivity reduction through isotope substitution in nanomaterials: predictions from an analytical classical model and nonequilibrium molecular dynamics simulations

Abstract

We introduce an analytical model to rapidly determine the thermal conductivity reduction due to mass disorder in nanomaterials. Although this simplified classical model depends only on the masses of the different atoms, it adequately describes the changes in thermal transport as the concentrations of these atoms vary. Its predictions compare satisfactorily with nonequilibrium molecular dynamics simulations of the thermal conductivity of 14C–12C carbon nanotubes as well as with previous simulations of other materials. We present it as a simple tool to quantitatively estimate the thermal conductivity decrease that is induced by isotope substitution in various materials.

Graphical abstract: Thermal conductivity reduction through isotope substitution in nanomaterials: predictions from an analytical classical model and nonequilibrium molecular dynamics simulations

Article information

Article type
Paper
Submitted
24 Apr 2011
Accepted
07 Jun 2011
First published
27 Jul 2011

Nanoscale, 2011,3, 3714-3720

Thermal conductivity reduction through isotope substitution in nanomaterials: predictions from an analytical classical model and nonequilibrium molecular dynamics simulations

G. Balasubramanian, I. K. Puri, M. C. Böhm and F. Leroy, Nanoscale, 2011, 3, 3714 DOI: 10.1039/C1NR10421G

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