Melting of a tetrahedral network model of silica

R. Cabriolu, Mario Del Popolo, Pietro Ballone

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Thermal properties of an idealised tetrahedral network model of silica are investigated by Monte Carlo simulations. The interatomic potential consists of anharmonic stretching and bending terms, plus a short range repulsion. The model includes a bond interchange rule similar to the well known Wooten, Winer and Weaire (WWW) algorithm (see Phys. Rev. Lett., 1985, 54, 1392). Simulations reveal an apparent first order melting transition at T = 2200 K. The computed changes in the local coordination upon melting are consistent with experimental and ab initio data.
Original languageEnglish
Pages (from-to)10820-10823
Number of pages4
JournalPhysical Chemistry Chemical Physics
Volume11
Issue number46
DOIs
Publication statusPublished - Feb 2009

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

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  • Cite this

    Cabriolu, R., Del Popolo, M., & Ballone, P. (2009). Melting of a tetrahedral network model of silica. Physical Chemistry Chemical Physics, 11(46), 10820-10823. https://doi.org/10.1039/b913358e