Cooperative origin of low-density domains in liquid water

被引:96
作者
Errington, JR
Debenedetti, PG [1 ]
Torquato, S
机构
[1] Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA
[2] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA
[3] Princeton Univ, Princeton Mat Inst, Princeton, NJ 08544 USA
关键词
D O I
10.1103/PhysRevLett.89.215503
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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.
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页数:4
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