A Study of Random Network Models. Characterization of a 300-Unit Tetrahedral Network and Comparison with Vitreous Silica and Liquid Water

摘要

A fully bonded tetrahedral network model was built, by a procedure approximately simulating condensation from vapor, up to a total of 300 units. From the topological data and measured coordinates of the centers and vertices, the ring size distribution, average density, and radial distribution functions were calculated. Although this model contained a large regular nucleus, and therefore does not fully represent the random network theory, the close similarity of its radial distribution with that of vitreous silica indicates that such networks can represent real amorphous structures quite accurately. Matching the densities of liquid water and vitreous silica may require imperfections in bonding of the network. The topological and geometrical data, which define the structure completely, are reproduced in full. (Author)