Entropy, dynamics, and instantaneous normal modes in a random energy model

T. Keyes
Phys. Rev. E 62, 7905 – Published 1 December 2000
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Abstract

It is shown that the fraction fu of imaginary-frequency instantaneous normal modes (INM) may be defined and calculated in a random energy model (REM) of liquids. The configurational entropy Sc and the averaged hopping rate among the states, R, are also obtained and related to fu with the results Rfu and Sc=a+bln(fu). The proportionality between R and fu is the basis of existing INM theories of diffusion, so the REM further confirms their validity. A link to Sc opens new avenues for introducing INM into dynamical theories. Liquid states are usually defined by assigning a configuration to the minimum to which it will drain, but the REM naturally treats saddle barriers on the same footing as minima, which may be a better mapping of the continuum of configurations to discrete states. Requirements for a detailed REM description of liquids are discussed.

  • Received 7 February 2000

DOI:https://doi.org/10.1103/PhysRevE.62.7905

©2000 American Physical Society

Authors & Affiliations

T. Keyes*

  • Chemistry Department, Boston University, Boston, Massachusetts 02215

  • *Email address: keyes@chem.bu.edu

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Vol. 62, Iss. 6 — December 2000

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