Cooperative origin of low-density domains in liquid water.
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.
Errington
Jeffrey R
JR
Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544, USA.
Debenedetti
Pablo G
PG
Torquato
Salvatore
S