Journal of Experimental and Theoretical Physics

, Volume 115, Issue 1, pp 112–124

Model of delocalized atoms in the physics of the vitreous state

Solids and Liquids

DOI: 10.1134/S1063776112060143

Cite this article as:
Sanditov, D.S. J. Exp. Theor. Phys. (2012) 115: 112. doi:10.1134/S1063776112060143

Abstract

A development of the model of delocalized atoms of liquids and glasses is proposed. It is shown that the basic equation of the model for the probability of delocalization (excitation) of an atom can be obtained not only from the Clausius relation but also by other methods of statistical physics. Techniques for calculating the parameters of the model are developed. The critical displacement of an atom from the equilibrium position, which corresponds to the maximum interatomic attraction force, can be considered as a delocalization (local excitation) of this atom in an elastic continuum. The energy of the critical displacement of an atom calculated as the work of the limit elastic deformation of the interatomic bond in an elastic continuum is in agreement with the results of calculation by the model of delocalized atoms. This energy can also be calculated from the data on surface tension and atomic volume. In silicate glasses, the process of delocalization of an atom represents the critical displacement of a bridging oxygen atom in the structural fragment of a silicon-oxygen (Si-O-Si) network before the switching of the valence bond, whereas, in amorphous organic polymers, the delocalization of an atom corresponds to the limit displacement of a fragment of the main chain of a macromolecule (a group of atoms in the connecting link).

Copyright information

© Pleiades Publishing, Ltd. 2012

Authors and Affiliations

  1. 1.Buryat State UniversityUlan-Ude, Buryat RepublicRussia
  2. 2.Institute of Physical Materials Science, Siberian BranchRussian Academy of SciencesUlan-Ude, Buryat RepublicRussia