title: Melting of a tetrahedral network model of silica.
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.
authors.affiliation: Queen's University Belfast, Atomistic Simulation Centre, Belfast, UK BT7 1NN.
authors.forename: R
authors.initials: R
authors.lastname: Cabriolu
authors.forename: M G
authors.initials: MG
authors.lastname: Del Pópolo
authors.forename: P
authors.initials: P
authors.lastname: Ballone