title: Cooperative origin of low-density domains in liquid water.
abstract: We study clusters formed by water molecules possessing large enough tetrahedrality with respect to their nearest neighbors. Using Monte Carlo simulation of SPC/E water and Voronoi tessellation, we find that regions of lower density than the bulk are formed by accretion of molecules into clusters exceeding a minimum size. Clusters are predominantly linear objects and become less compact as they grow until they reach a size beyond which further accretion is not accompanied by a density decrease. The results suggest that the formation of "icelike" regions in liquid water is cooperative.
authors.affiliation: Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544, USA.
authors.forename: Jeffrey R
authors.initials: JR
authors.lastname: Errington
authors.forename: Pablo G
authors.initials: PG
authors.lastname: Debenedetti
authors.forename: Salvatore
authors.initials: S
authors.lastname: Torquato