Cooperative Origin of Low-Density Domains in Liquid Water

Jeffrey R. Errington; Pablo G. Debenedetti; Salvatore Torquato

doi:10.1103/physrevlett.89.215503

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arXiv · cond-mat/0206354

Cooperative Origin of Low-Density Domains in Liquid Water

Jeffrey R. Errington·Pablo G. Debenedetti·Salvatore Torquato

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Abstract

We study the size of clusters formed by water molecules possessing large enough tetrahedrality with respect to their nearest neighbors. Using Monte Carlo simulation of the SPC/E model of water, together with a geometric analysis based on 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 "ice-like" regions in liquid water is cooperative.

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Jeffrey R. Errington, Pablo G. Debenedetti, Salvatore Torquato. 2002-06-18. Cooperative Origin of Low-Density Domains in Liquid Water. https://doi.org/10.1103/physrevlett.89.215503

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