Literature DB >> 11138073

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

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Abstract

It is shown that the fraction f(u) of imaginary-frequency instantaneous normal modes (INM) may be defined and calculated in a random energy model (REM) of liquids. The configurational entropy S(c) and the averaged hopping rate among the states, R, are also obtained and related to f(u) with the results R approximately f(u) and S(c)=a+b ln(f(u)). The proportionality between R and f(u) is the basis of existing INM theories of diffusion, so the REM further confirms their validity. A link to S(c) 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.

Year:  2000        PMID: 11138073     DOI: 10.1103/physreve.62.7905

Source DB:  PubMed          Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics        ISSN: 1063-651X


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