A MOLECULAR-DYNAMICS STUDY OF THE VIBRATIONAL PROPERTIES OF SILICA GLASS

Citation
Rg. Dellavalle et E. Venuti, A MOLECULAR-DYNAMICS STUDY OF THE VIBRATIONAL PROPERTIES OF SILICA GLASS, Chemical physics, 179(3), 1994, pp. 411-419
Citations number
42
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
0301-0104
Volume
179
Issue
3
Year of publication
1994
Pages
411 - 419
Database
ISI
SICI code
0301-0104(1994)179:3<411:AMSOTV>2.0.ZU;2-Z
Abstract
We have performed a molecular dynamics calculation of the vibrational spectrum of glassy silica. The simulated spectra compare favourably wi th the neutron scattering experiments, in both frequency and momentum space. A detailed analysis of one-body and two-body correlation functi ons yields an assignment of the spectrum which exhibits a high degree of internal consistency and agrees with the current understanding of t he experimental data.