科研之友
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摘要
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 angstrom 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.
- 出版日期2011-1-18
