THEORETICAL-STUDY OF THE INTERSTICE STATISTICS OF THE OXYGEN SUBLATTICE IN VITREOUS SIO2

被引:79
作者
CHAN, SL
ELLIOTT, SR
机构
[1] Department of Physical Chemistry, University of Cambridge, Cambridge CB2 1EP, Lensfield Road
来源
PHYSICAL REVIEW B | 1991年 / 43卷 / 05期
关键词
D O I
10.1103/PhysRevB.43.4423
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The interstice statistics of the oxygen sublattice of the canonical inorganic glass-former silica have been investigated theoretically for a number of structural models of upsilon-SiO2. It is found that spheres with radii smaller than 2.41 angstrom minus the oxygen radius can travel freely through a model of upsilon-SiO2 made by Feuston and Garofalini. The nonoverlapping interstice size distribution can be described by a log-normal function. The concentrations of interstitial sites in these models with radii greater than the size of rare-gas atoms agree with the experimental values from gas-solubility studies.
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页码:4423 / 4432
页数:10
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