Structural and dynamic heterogeneity of computer simulated water: ordinary, supercooled, stretched and compressed

Molecular dynamics simulation revealed structural and dynamic heterogeneity of water in a wide range of temperatures and densities. Dynamic heterogeneity is exhibited by a very broad distribution of the lifetimes of hydrogen bonds and of types of water molecule coordination. Another manifestation of dynamic heterogeneity is related to the dependence of dynamic characteristics of the molecules on their local environment. The structural heterogeneity is manifested in non-uniform space distribution of the molecules with different values of the parameters describing this local environment. (C) 2003 Elsevier Science B.V. All rights reserved.