非谐性
自相关
动能
统计物理学
谐波
分子动力学
功能(生物学)
物理
材料科学
经典力学
量子力学
数学
统计
进化生物学
生物
作者
Gary S. Grest,Sidney R. Nagel,A. Rahman,Thomas A. Witten
摘要
We show how, for a harmonic solid, the density of normal mode states and the velocity autocorrelation function can be found by analyzing the temperature of the solid after its kinetic energy has been abruptly quenched. In a molecular dynamics simulation of an interacting Lennard-Jones system we show what happens to these results as the solid is made anharmonic and how, in the liquid state, these techniques can be used to study the role of anharmonicity in the velocity autocorrelation function.
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