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Publication

Title:Density Fluctuations in Liquid Water
Authors:Niall J. English, John S. Tse, 2011
Abstract: The density distributions and fluctuations in grids of varying size in liquid water at ambient pressure, both above the freezing point and in the supercooled state, are analyzed from the trajectories obtained from large-scale molecular dynamics simulations. It is found that the occurrence of low- and high-density regions (LDL and HDL) is transient and their respective residence times are dependent on the size of the simulated system. The spatial extent of density-density correlation is found to be within 7 Å or less. The temporal existence of LDL and HDL arises as a result of natural density fluctuations of an equilibrium system. The density of bulk water at ambient conditions is homogenous.
ICHEC Project:Massively-parallel molecular simulation studies of nano-scale crystal formation
Publication:Physical Review Letters 106 (3), 037801, January 2011
URL: http://dx.doi.org/10.1103/PhysRevLett.106.037801
Status: Published

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