Oscillations in dynamic correlations of binary liquids

作     者：Lee, JC 

作者机构：UNIV SO MISSISSIPPICOMP SCI PROGRAMHATTIESBURGMS 39406 

出 版 物：《PHYSICA A》 (物理学A辑：统计力学及其应用)

年 卷 期：1997年第243卷第3-4期

页      面：229-242页

核心收录：

学科分类：07[理学] 0702[理学-物理学] 

基　　金：PetroleumR esearchF unds administerebdy the AmericanC hemicalS ociety 

主　　题：Molecular-dynamics Diffusion-coefficients Mixtures Relaxation time Time correlation functions Oscillations Molecular Dynamics Optical phonon OSCILLATION MODES Cooperative Behavior mixtures diffusion coefficient Binary dynamic liquids Molecular Dynamics Simulation 

摘      要：Molecular dynamics simulations are performed for a binary liquid mixture (alpha + beta) to measure, among others, the collective velocity auto-correlation function Z(m)(t) and the time correlation function of the concentration fluctuations F-m(t). Both alpha-alpha and beta-beta pairs of molecules interact through the same Lenard-Jones potential, but alpha-beta pairs interact only through the repulsive part of the potential. From the results for the relaxation time of F-m(t), we estimate the mutual diffusion coefficients. All measurements probing the individual molecular motions indicate that the molecules execute randomly diffusing motions both at T T-C and T T-C, the results are as expected from those of the individual motions. At T T-C, the results indicate cooperative behavior which is not evident in the individual motions. Most importantly, we observe an oscillatory mode of collective motions which is analogous to the optical phonons in two-component crystals.