hide
Free keywords:
-
Abstract:
We use molecular dynamics simulations to probe the rotational dynamics of the extended simple point
charge model of water for a range of temperatures down to 200 K, 6 K above the mode coupling
temperature. We find that rotational dynamics is spatially heterogeneous; i.e., there are clusters of
molecules that rotate significantly more than the average for a given time interval, and we study the
size and the temporal behavior of these clusters. We find that the position of a rotational heterogeneity is
strongly correlated with the position of a translational heterogeneity, and that the fraction of molecules
belonging to both kinds of heterogeneities increases with decreasing temperature. We further find that
although the two types of heterogeneities are not identical, they are related to the same physical picture.
