Molecular dynamics study on thermal conductivity of nanoscale thin films

Citation
Xl. Feng et al., Molecular dynamics study on thermal conductivity of nanoscale thin films, CHIN SCI B, 46(7), 2001, pp. 604-607
Citations number
17
Categorie Soggetti
Multidisciplinary
Journal title
CHINESE SCIENCE BULLETIN
ISSN journal
10016538 → ACNP
Volume
46
Issue
7
Year of publication
2001
Pages
604 - 607
Database
ISI
SICI code
1001-6538(200104)46:7<604:MDSOTC>2.0.ZU;2-2
Abstract
A simple and effective model of heat conduction across thin films is set up and molecular dynamics simulations are implemented to explore the thermal conductivity of nanoscale thin dielectric films in the direction perpendicu lar to the film plane. Solid argon is selected as the model system due to i ts reliable experimental data and potential function. Size effects of the t hermal conductivity across thin films are found by computer simulations: in a film thickness range of 2-10 nm, the conductivity values are remarkably lower than the corresponding bulk experimental data and increase as the thi ckness increases. The consistency between the approximate solution of the p honon Boltzmann transport equation and the simulation results ascribes the thermal conductivity size effect to the phonon scattering at film boundarie s.