Dipartimento di Fisica e Astronomia, Università degli Studi di Firenze, via G. Sansone 1, I-50019 Sesto Fiorentino, Italy.
Fakultät für Physik der Universität Wien, Kolingasse 14-16, A-1090 Wien, Austria.
Phys Rev E. 2023 Jan;107(1-1):014139. doi: 10.1103/PhysRevE.107.014139.
A thorough analysis of the transverse current autocorrelation function obtained by molecular dynamics simulations of a dense Lennard-Jones fluid reveals that even such a simple system is characterized by a varied dynamical behavior with changing length scale. By using the exponential expansion theory, we provide a full account of the time correlation at wavevectors Q between the upper boundary of the hydrodynamic region and Q_{p}/2, with Q_{p} being the position of the main peak of the static structure factor. In the Q range studied, we identify and accurately locate the wavevector at which shear wave propagation starts to take place, and show clearly how this phenomenon may be represented by a damped harmonic oscillator changing, in a continuous way, from an overdamped to an underdamped condition. The decomposition into exponential modes allows one to convincingly establish not only the crossover related to the onset of transverse waves but, surprisingly, also the existence of a second pair of modes equivalent to another oscillator that undergoes, at higher Q values, a similarly smooth over to underdamped transition.
对密致 Lennard-Jones 流体的分子动力学模拟得到的横向电流自相关函数进行深入分析,揭示出即使如此简单的体系,在变化的长度标度下也表现出多样化的动力学行为。通过使用指数展开理论,我们详细描述了在波矢 Q 上的时间相关性,其中 Q 是流体动力学区域的上边界,Q_{p} 是静态结构因子的主峰位置。在所研究的 Q 范围内,我们确定并准确定位了剪切波传播开始发生的波矢,并清楚地展示了这种现象如何可以用阻尼谐振子来表示,该谐振子以连续的方式从过阻尼状态转变为欠阻尼状态。指数模式的分解不仅可以令人信服地建立与横向波起始相关的交叉点,而且令人惊讶的是,还可以建立另一个等效于另一个振荡器的模式对的存在,在更高的 Q 值下,该振荡器经历类似的平滑过阻尼到欠阻尼的转变。