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Issue 46, 2009
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Melting of a tetrahedral network model of silica

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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.

Graphical abstract: Melting of a tetrahedral network model of silica

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Publication details

The article was received on 06 Jul 2009, accepted on 15 Sep 2009 and first published on 25 Sep 2009


Article type: Communication
DOI: 10.1039/B913358E
Phys. Chem. Chem. Phys., 2009,11, 10820-10823

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    Melting of a tetrahedral network model of silica

    R. Cabriolu, M. G. Del Pópolo and P. Ballone, Phys. Chem. Chem. Phys., 2009, 11, 10820
    DOI: 10.1039/B913358E

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