DIFFRACTION STUDY OF LI2O.SIO2 GLASS WITH COMPUTER-SIMULATION

被引：12

作者：

AKASAKA, Y ^{[1
]}

INOUE, H ^{[1
]}

YASUI, I ^{[1
]}

机构：

[1] UNIV TOKYO,FAC ENGN,BUNKYO KU,TOKYO 113,JAPAN

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 1992年 / 150卷 / 1-3期

关键词：

D O I：

10.1016/0022-3093(92)90101-O

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The structure of Li2O.SiO2 glass has been determined by the pair-function analysis of the radial distribution function (RDF) obtained by X-ray and neutron diffraction measurements. The structure models were constructed by the molecular dynamics method (MD). The calculated RDFs, the summation of the pair-functions of the model, were compared with the observed RDFs while varying the MD parameters. Taking advantage of the negative scattering length of Li for neutron diffraction, the glass structure was investigated in detail, and it was found that the chains of SiO4 tetrahedra bend at 20-degrees, which is a little less than for the crystal (23.48-degrees). It is known that the larger the size of the alkali ions (Na+ --> K+ --> Cs+), the smaller the bending angle of the chains. It was found that this rule also applies to Li+.

引用

页码：92 / 96

页数：5

共 6 条

[1]

HASEGAWA H, 1980, J CERAM SOC JPN, V88, P271

[2]

INOUE H, 1987, PHYS CHEM GLASSES, V28, P63

[3]

OKADA I, 1982, B CHEM SOC JPN, P910

[4] MOLECULAR DYNAMIC CALCULATION OF THE STRUCTURE OF SODIUM-SILICATE GLASSES [J].