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简单液体中短时动力学关联的证据。

Evidence of short-time dynamical correlations in simple liquids.

作者信息

Scopigno T, Ruocco G, Sette F, Viliani G

机构信息

Dipartimento di Fisica and INFM, Università di Roma La Sapienza, I-00185 Roma, Italy.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Sep;66(3 Pt 1):031205. doi: 10.1103/PhysRevE.66.031205. Epub 2002 Sep 25.

DOI:10.1103/PhysRevE.66.031205
PMID:12366104
Abstract

We report a molecular dynamics study of the collective dynamics of a simple monatomic liquid--interacting through a two-body potential that mimics that of lithium--across the liquid-glass transition. In the glassy phase we find evidences of a fast relaxation process similar to that recently found in Lennard-Jones glasses. The origin of this process is ascribed to the topological disorder, i.e., to the dephasing of the different momentum Q Fourier components of the actual normal modes of vibration of the disordered structure. More important, we find that the fast relaxation persists in the liquid phase with almost no temperature dependence of its characteristic parameters (strength and relaxation time). We conclude, therefore, that in the liquid phase well above the melting point, at variance with the usual assumption of uncorrelated binary collisions, the short time particle motion is strongly correlated and can be described via a normal mode expansion of the atomic dynamics.

摘要

我们报告了一项关于简单单原子液体集体动力学的分子动力学研究,该液体通过模拟锂的两体势相互作用,跨越液-玻璃转变。在玻璃相中,我们发现了一个快速弛豫过程的证据,类似于最近在 Lennard-Jones 玻璃中发现的过程。这个过程的起源归因于拓扑无序,即无序结构实际振动简正模式的不同动量 Q 傅里叶分量的相位失配。更重要的是,我们发现快速弛豫在液相中持续存在,其特征参数(强度和弛豫时间)几乎与温度无关。因此,我们得出结论,在远高于熔点的液相中,与通常不相关二元碰撞的假设不同,短时间内粒子运动是高度相关的,并且可以通过原子动力学的简正模式展开来描述。

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