화학공학소재연구정보센터
Journal of Physical Chemistry B, Vol.108, No.51, 19663-19669, 2004
On static and dynamic heterogeneities in water
We analyze differences in dynamics and in properties of the sampled potential energy landscape between different equilibrium trajectories, for a system of rigid water molecules interacting with a two-body potential. On entering in the supercooled region, differences between different realizations increase and survive even when particles have diffused several time their average nearest neighbor distance. We observe a strong correlation between the mean square displacement of the individual trajectories and the average energy of the sampled landscape.