Invariants of spherical harmonics as order parameters in liquids: comparison of the structure of a molten and glassy alkali halide

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Abstract

The second order invariants of spherical harmonics for the geometrical characterization of clusters in disordered systems is applied for the comparison of computer simulated configurations of molten and glassy rubidium bromide. The latter has been obtained by the Stillinger method leading to the "inherent" liquid structure. It is shown that the rotational invariants of spherical harmonics characterize the inherent structure even when vibrations are not damped at all. Angular correlation between the positions of closest neighbours proved to be identical in liquid and glassy state, whereas radial pair correlation functions show considerable difference.

Original languageEnglish
Pages (from-to)1229-1234
Number of pages6
JournalElectrochimica Acta
Volume33
Issue number9
DOIs
Publication statusPublished - Sep 1988

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ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Electrochemistry

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