Thermal conductivity from approach-to-equilibrium molecular dynamics

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

Type de document :

Compte-rendu et recension critique d'ouvrage

DOI :

10.1063/1.4815945

Titre :

Thermal conductivity from approach-to-equilibrium molecular dynamics

Auteur(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]

Titre de la revue :

Journal of Applied Physics

Pagination :

033525

Éditeur :

American Institute of Physics

Date de publication :

2013

ISSN :

0021-8979

Discipline(s) HAL :

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

Résumé en anglais : [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 ...
Lire la suite >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-quartzLire moins >

Langue :

Anglais

Vulgarisation :

Non

Collections :