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Connection between Adam-Gibbs theory and spatially heterogeneous dynamics.

作者信息

Giovambattista Nicolas, Buldyrev Sergey V, Starr Francis W, Stanley H Eugene

机构信息

Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, USA.

出版信息

Phys Rev Lett. 2003 Feb 28;90(8):085506. doi: 10.1103/PhysRevLett.90.085506.

Abstract

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.

摘要

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