Oscillatory Shannon entropy in the process of equilibration of nonequilibrium crystalline systems  

作　　者：A.Giri Nilangshu K.Das P.Barat 

机构地区：[1]Variable Energy Cyclotron Centre, 1/AF Bidhannagar [2]Indira Gandhi Centre for Atomic Research

出　　处：《Chinese Physics B》2015年第8期658-661,共4页中国物理B（英文版）

摘　　要：We present a study of the equilibration process of some nonequilibrium crystalline systems by means of molecular dynamics simulation technique. The nonequilibrium conditions are achieved in the systems by randomly defining velocity components of the constituent atoms. The calculated Shannon entropy from the probability distribution of the kinetic energy among the atoms at different instants during the process of equilibration shows oscillation as the system relaxes towards equilibrium. Fourier transformations of these oscillating Shannon entropies reveal the existence of Debye frequency of the concerned system.We present a study of the equilibration process of some nonequilibrium crystalline systems by means of molecular dynamics simulation technique. The nonequilibrium conditions are achieved in the systems by randomly defining velocity components of the constituent atoms. The calculated Shannon entropy from the probability distribution of the kinetic energy among the atoms at different instants during the process of equilibration shows oscillation as the system relaxes towards equilibrium. Fourier transformations of these oscillating Shannon entropies reveal the existence of Debye frequency of the concerned system.

关 键 词：entropy and other measures of information nonequilibrium and irreversible thermodynamics 

分 类 号：O561[理学—原子与分子物理]