title: Relation of water anomalies to the excess entropy.
abstract: Using the five-site transferable intermolecular potential (TIP5P) we perform molecular dynamics simulations to investigate the relationship between the excess entropy and anomalies of water. We find that the two-body excess entropy is an ideal quantity to predict the regions of structural, dynamic, and thermodynamic anomalies of water in its pressure-temperature and density-temperature phase diagrams. From the excess entropy we can also predict the location of the Widom line, associated with the hypothesized liquid-liquid critical point in supercooled water.
authors.affiliation: Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, USA.
authors.forename: Zhenyu
authors.initials: Z
authors.lastname: Yan
authors.forename: Sergey V
authors.initials: SV
authors.lastname: Buldyrev
authors.forename: H Eugene
authors.initials: HE
authors.lastname: Stanley