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

被引:35
作者
Keyes, T [1 ]
机构
[1] Boston Univ, Dept Chem, Boston, MA 02215 USA
来源
PHYSICAL REVIEW E | 2000年 / 62卷 / 06期
关键词
D O I
10.1103/PhysRevE.62.7905
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
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 similar to 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.
引用
收藏
页码:7905 / 7908
页数:4
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