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Computer Glass Transition

  • Conference paper
Topological Disorder in Condensed Matter

Part of the book series: Springer Series in Solid-State Sciences ((SSSOL,volume 46))

Abstract

By means of the molecular dynamics technique, we have prepared computer glasses and studied the structural, thermodynamic, transport and dynamical properties of the obtained glasses in comparison with those for corresponding liquids and crystals. The computer glasses have been produced by quenching under constant pressures a model liquid consisting of 864 atoms with the periodic boundary condition and with the interatomic interactions described by the Lennard-Jones (12–6) pair potentials. As for the macroscopically observable structural properties, we have measured the pair distribution function g(r) and calculated the structure factor S(q) by Fourier transforming g(r). The thermodynamic properties we have derived include specific volume as a function of temperature, thermal expansion coefficient, specific heat at constant volume, specific heat at constant pressure and isothermal compressibility. Concerning the transport properties, we have first evaluated the diffusion constant from the velocity autocorrelation function as well as from the mean square displacement, and secondly the shear viscosity from the stress autocorrelation function. The velocity autocorrelation function is also used to evaluate the power spectra which provide an indication for the behaviour of phonons in glasses. The glass transition temperatures by several definitions are estimated in connection with various physical properties mentioned above. The microscopic information for the atomic structures is analyzed in detail to elucidate the mechanism of the glass transition. In this context, we have derived the pair distribution function ḡ(r) of the time-averaged positions and a discussion is given of the cage-structure concept.

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Author information

Authors and Affiliations

  1. Department of Applied Physics, Tokyo Institute of Technology, Ohokayama, Meguroku, Tokyo 152, Japan

    M. Kimura

  2. Department of Physics, Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223, Japan

    F. Yonezawa

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  1. M. Kimura
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  2. F. Yonezawa
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Editors and Affiliations

  1. Department of Physics, School of Science and Technology, Keio University, Hiyoshi Yokohama 223, Japan

    Fumiko Yonezawa

  2. Department of Physics, Faculty of Science, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku Tokyo 113, Japan

    Toshiyuki Ninomiya

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© 1983 Springer-Verlag Berlin Heidelberg

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Kimura, M., Yonezawa, F. (1983). Computer Glass Transition. In: Yonezawa, F., Ninomiya, T. (eds) Topological Disorder in Condensed Matter. Springer Series in Solid-State Sciences, vol 46. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-82104-2_7

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  • DOI: https://doi.org/10.1007/978-3-642-82104-2_7

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-82106-6

  • Online ISBN: 978-3-642-82104-2

  • eBook Packages: Springer Book Archive

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