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“Perfect” structure regions in amorphous argon

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Abstract

The structure of molecular dynamic models of amorphous argon is investigated by the Voronoi-Delaunay method. It is shown that the majority of Delaunay simplices (determined by quadruplets of the nearest atoms) are “perfect,” i.e., close in their shape either to the ideal tetrahedron or to the ideal quartoctahedron. These two types of structural elements are positioned in a correlated manner relative to each other, forming regions of a “perfect” structure which, however, is not crystalline. The regions themselves are separated by sections of an “imperfect” structure in which the shape of simplicial atomic configurations differs from the mentioned ideal forms.

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Authors
  1. N. N. Medvedev
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  2. Yu. I. Naberukhin
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  3. V. A. Luchnikov
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Additional information

Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences. Novosibirsk State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 1, pp. 53–63, January–February, 1994.

Translated by L. Chernomorskaya

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Medvedev, N.N., Naberukhin, Y.I. & Luchnikov, V.A. “Perfect” structure regions in amorphous argon. J Struct Chem 35, 47–56 (1994). https://doi.org/10.1007/BF02578500

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  • DOI: https://doi.org/10.1007/BF02578500

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