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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Void size distribution in MD-modelled silica glass structures
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Void size distribution in MD-modelled silica glass structures

机译：MD型石英玻璃结构中的空隙尺寸分布

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摘要

The void distribution of different models of the silica glass have been analyzed in terms of the Voronoi-Delaunay description of the void space into a disordered system. The silica glass has been modelled by making use of different pair-pair and three body potentials, previously proposed. The glass structural parameters (bond lengths and bond angles) are compared with known experimental data. A computer algorithm has been implemented to apply the Voronoi-Delaunay approach to a system of non-uniform spheres, and it is fully described. The algorithm furnishes the size distribution of interstices into the bulk structure. From this result, the solubility of noble gasses into the glass is computed, and the values obtained are successfully compared to known experimental data. The correlation between void size distribution and ring size distribution in silica glass is discussed. Both the glass structure and void distribution give better agreement to the experimental data when the pair pair interaction is modelled with the potential developed by Beest et al. [B.W.H. Beest, G.J. Kramer, R.A. Santen, Phys. Rev. Lett. 64 (1990) 1955]. (c) 2005 Elsevier B.V. All rights reserved.
机译：根据Voronoi-Delaunay将空隙空间变成无序系统的描述，分析了不同模型的石英玻璃的空隙分布。石英玻璃已经通过使用先前提出的不同对对和三个体势来建模。将玻璃结构参数（粘结长度和粘结角）与已知实验数据进行比较。已经实现了一种计算机算法，以将Voronoi-Delaunay方法应用于非均匀球体系统，并对其进行了全面描述。该算法将空隙的尺寸分布提供给整体结构。根据该结果，计算出惰性气体在玻璃中的溶解度，并将获得的值成功地与已知的实验数据进行了比较。讨论了石英玻璃中空隙尺寸分布与环尺寸分布之间的相关性。当用Beest等人开发的电势对对相互作用建模时，玻璃结构和空隙分布都与实验数据更好地吻合。 [B.W.H. Beest，G.J.克莱默（R.A.） Santen，物理莱特牧师64（1990）1955]。 （c）2005 Elsevier B.V.保留所有权利。

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