title: Computer simulation of two new solid phases of water: Ice XIII and ice XIV.
abstract: NpT Monte Carlo simulations have been performed for two recently discovered solid phases of water which have been denoted as ice XIII and ice XIV C. G. Salzmann et al. [Science311, 1758 (2006)]. Several potential models of water were considered, namely, the traditional SPC/E, TIP4P, and TIP5P and the more recent TIP5P-E, TIP4P-Ew, TIP4P/Ice, and TIP4P/2005 models. Significant differences in density and oxygen-oxygen radial distribution functions are found between the predictions of the SPC/E, TIP5P, and the models of the TIP4P family. The models TIP4P/Ice and TIP4P/2005 provide the best estimates of the density.
authors.affiliation: Departamento de Quimica Fisica, Facultad de Ciencias Quimicas, Universidad Complutense, 28040 Madrid, Spain.
authors.forename: Maria
authors.initials: M
authors.lastname: Martin-Conde
authors.forename: Luis G
authors.initials: LG
authors.lastname: MacDowell
authors.forename: Carlos
authors.initials: C
authors.lastname: Vega