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
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.