4.8 Article

Connection between Adam-Gibbs theory and spatially heterogeneous dynamics

Journal

PHYSICAL REVIEW LETTERS
Volume 90, Issue 8, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.90.085506

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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.

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