Cooperative Origin of Low-Density Domains in Liquid Water

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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.

Original languageEnglish (US)
JournalPhysical review letters
Volume89
Issue number21
DOIs
StatePublished - Jan 1 2002

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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