Molecular-dynamics calculation of the thermal conductivity of vitreous silica

Citation
P. Jund et R. Jullien, Molecular-dynamics calculation of the thermal conductivity of vitreous silica, PHYS REV B, 59(21), 1999, pp. 13707-13711
Citations number
30
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
59
Issue
21
Year of publication
1999
Pages
13707 - 13711
Database
ISI
SICI code
0163-1829(19990601)59:21<13707:MCOTTC>2.0.ZU;2-7
Abstract
We use extensive classical molecular-dynamics simulations to calculate the thermal conductivity of a model silica glass. Apart from the potential para meters, this is done with no other adjustable quantity and the standard equ ations of heat transport are used directly in the simulation box. The calcu lations have been done between 10 and 1000 K and the results are in good ag reement with the experimental data at temperatures above 20 K. The plateau observed around 10 K can be accounted for by correcting our results taking into account finite-size effects in a phenomenological way. [S0163-1829(94) 00121-6].