Thermal conductivity from approach-to-equilibrium molecular dynamics

Lampin, E.; Palla, Pier Luca; Francioso, P.A.; Cleri, Fabrizio

Document type :

Article dans une revue scientifique

DOI :

10.1063/1.4815945

Title :

Thermal conductivity from approach-to-equilibrium molecular dynamics

Author(s) :

Lampin, E. [Auteur]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Palla, Pier Luca [Auteur]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Francioso, P.A. [Auteur]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Cleri, Fabrizio [Auteur]

Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]

Journal title :

Journal of Applied Physics

Pages :

033525

Publisher :

American Institute of Physics

Publication date :

2013

ISSN :

0021-8979

HAL domain(s) :

Physique [physics]/Mécanique [physics]/Thermique [physics.class-ph]

English abstract : [en]

We use molecular dynamics simulations to study the thermal transport properties of a range of poor to good thermal conductors by a method in which two portions are delimited and heated at two different temperatures before ...
Show more >We use molecular dynamics simulations to study the thermal transport properties of a range of poor to good thermal conductors by a method in which two portions are delimited and heated at two different temperatures before the approach-to-equilibrium in the whole structure is monitored. The numerical results are compared to the corresponding solution of the heat equation. Based on this comparison, the observed exponential decay of the temperature difference is interpreted and used to extract the thermal conductivity of homogeneous materials. The method is first applied to bulk silicon and an excellent agreement with previous calculations is obtained. Finally, we predict the thermal conductivity of germanium and α-quartzShow less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Non spécifiée

Popular science :

Non

Collections :