A reverse Monte Carlo study of a titanosilicate glass

被引：16

作者：

Cormier, L

Calas, G

Gaskell, PH

机构：

[1] UNIV PARIS 06, LAB MINERAL CRISTALLOG, F-75252 PARIS 05, FRANCE

[2] UNIV PARIS 07, LAB MINERAL CRISTALLOG, F-75252 PARIS 05, FRANCE

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1997年 / 9卷 / 46期

关键词：

D O I：

10.1088/0953-8984/9/46/011

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Neutron scattering measurements with isotopic substitution of Ti have been carried out on a K2O-TiO2-2SiO(2) glass using Ti-46 and Ti-48 isotopes. The total structure factors and the first difference function (giving all the partial pair correlation functions centred on Ti) were fitted by the reverse Monte Carlo (RMC) technique to generate a three-dimensional structural model of this glass. Information was obtained on the medium-range ordering around Ti. The structure determined with RMC indicates a non-homogeneous distribution of Ti in the glass in agreement with the available scattering data.

引用

页码：10129 / 10136

页数：8

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