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Structural Changes in Loosening Amorphous Packings of Lennard-Jones Atoms

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Abstract

Computer simulations of crystalline and amorphous Lennard-Jones systems have revealed a stability threshold at reduced density 0.8-0.85. At this density, a substance undergoes a phase transition losing homogeneity and at lower densities decomposes into regions of dense atomic clusters separated by empty space. The characteristic size of atomic clusters is approximately 10 atomic diameters. They are united by “bridges” of close-packed atoms into a single percolation cluster. The voids form branched channels with diameters considerably exceeding an atomic diameter and permeating the entire space of the model.

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Authors and Affiliations

  1. Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences, Russia

    V. P. Voloshin

  2. Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences, Russia

    Yu. I. Naberukhin

Authors
  1. V. P. Voloshin
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  2. Yu. I. Naberukhin
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Voloshin, V.P., Naberukhin, Y.I. Structural Changes in Loosening Amorphous Packings of Lennard-Jones Atoms. Journal of Structural Chemistry 41, 825–831 (2000). https://doi.org/10.1023/A:1004814303394

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  • DOI: https://doi.org/10.1023/A:1004814303394

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