Connection between Adam-Gibbs theory and spatially heterogeneous dynamics.
We investigate the spatially heterogeneous dynamics in the extended simple point charge model of water using molecular dynamics simulations. We relate the average mass n* of mobile particle clusters to the diffusion constant and the configurational entropy. Hence, n* can be interpreted as the mass of the "cooperatively rearranging regions" that form the basis of the Adam-Gibbs theory of the dynamics of supercooled liquids. We also examine the time and temperature dependence of these transient clusters.
Giovambattista
Nicolas
N
Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, USA.
Buldyrev
Sergey V
SV
Starr
Francis W
FW
Stanley
H Eugene
HE