DEPENDENCE OF COMPUTER-MODEL STRUCTURE OF AN AMORPHOUS SOLID ON HARDNESS OF THE REPULSIVE POTENTIAL

Citation
Vp. Voloshin et Yi. Naberukhin, DEPENDENCE OF COMPUTER-MODEL STRUCTURE OF AN AMORPHOUS SOLID ON HARDNESS OF THE REPULSIVE POTENTIAL, Journal of structural chemistry, 34(5), 1993, pp. 735-746
Citations number
16
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
ISSN journal
00224766
Volume
34
Issue
5
Year of publication
1993
Pages
735 - 746
Database
ISI
SICI code
0022-4766(1993)34:5<735:DOCSOA>2.0.ZU;2-R
Abstract
In models of an amorphous solid with a potential U = ar(-n)(n = 3-20), the main structural elements were found to be tetrahedron and quartoc tahedron. At lower n there are more tetrahedra and less quartoctahedra . In addition to the form and size of separate Delaunay simplices, the ir mutual arrangement has been studied by percolation analysis. For th at we used the coloring of the Voronoi network. according to tetrahedr icity of simplices to identify dense atomic configurations, and accord ing to the radii of mouths of cavities (passages between simplices) to identify the cavities. We have found percolative cavities in liquids and percolating dense configurations in all amorphous solid models.