The entropy of a network crystal, fluid and glass

Robin J. Speedy, Pablo G. Debenedetti

Research output: Contribution to journalArticle

26 Scopus citations

Abstract

The equation of state and entropy of the fluid, glass and crystalline phases of a tetravalent network model were studied by computer simulation. The supercooled fluid is a glass below 0·58 of its melting temperature, at constant pressure. The entropy of the fluid is much larger than that of the crystal and there is no indication of an impending Kauzmann catastrophe. The statistical entropy of the network glass, obtained by computing its configuration integral, is 0·72 ±0·1 Nk lower than the thermal entropy, obtained by integrating the equation of state. That result implies that the number of topologically distinct four-connected networks is Ωnet = exp (0·72N), or about 1067 for the simulated system of N = 216 molecules. The results are compared with a corresponding study of the hard sphere fluid and glass.

Original languageEnglish (US)
Pages (from-to)237-249
Number of pages13
JournalMolecular Physics
Volume81
Issue number1
DOIs
StatePublished - Jan 1 1994

All Science Journal Classification (ASJC) codes

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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