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

被引：35

作者：

DELLAVALLE, RG ^{[1
]}

VENUTI, E ^{[1
]}

机构：

[1] UNIV VENEZIA,DIPARTIMENTO CHIM FIS,I-30123 VENICE,ITALY

来源：

CHEMICAL PHYSICS | 1994年 / 179卷 / 03期

关键词：

D O I：

10.1016/0301-0104(94)87017-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We have performed a molecular dynamics calculation of the vibrational spectrum of glassy silica. The simulated spectra compare favourably with the neutron scattering experiments, in both frequency and momentum space. A detailed analysis of one-body and two-body correlation functions yields an assignment of the spectrum which exhibits a high degree of internal consistency and agrees with the current understanding of the experimental data.

引用

页码：411 / 419

页数：9

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