Correlation of reorientational jumps of water molecules in bulk water.

Recent theoretical and experimental studies suggested the large-amplitude angular jump mechanism of the reorientational motions of water molecules. In this paper, we study the correlation effects of such angular jump motions, which are important for understanding a number of biological processes involving the motions of water molecules, by using molecular dynamics simulations. The results show that large-angular jump motions of a water molecule can enhance the successive jump motions of the same water molecule and the surrounding water molecules. Such a correlation can extend up to a distance of two water layers and is propagated through the perturbations to the local hydrogen bond networks. A detailed molecular picture of the correlation propagation is shown based on the molecular simulations.