Peng H L, Schober H R, Voigtmann Th
Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln, Germany.
Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan.
Phys Rev E. 2016 Dec;94(6-1):060601. doi: 10.1103/PhysRevE.94.060601. Epub 2016 Dec 15.
Molecular dynamic simulations are performed to reveal the long-time behavior of the velocity autocorrelation function (VAF) by utilizing the finite-size effect in a Lennard-Jones binary mixture. Whereas in normal liquids the classical positive t^{-3/2} long-time tail is observed, we find in supercooled liquids a negative tail. It is strongly influenced by the transfer of the transverse current wave across the period boundary. The t^{-5/2} decay of the negative long-time tail is confirmed in the spectrum of VAF. Modeling the long-time transverse current within a generalized Maxwell model, we reproduce the negative long-time tail of the VAF, but with a slower algebraic t^{-2} decay.
通过利用 Lennard-Jones 二元混合物中的有限尺寸效应,进行分子动力学模拟以揭示速度自相关函数(VAF)的长期行为。在正常液体中观察到经典的正 (t^{-3/2}) 长期尾部,而在过冷液体中我们发现了一个负尾部。它受到横向电流波穿过周期边界的转移的强烈影响。VAF 谱证实了负长期尾部的 (t^{-5/2}) 衰减。在广义麦克斯韦模型中对长期横向电流进行建模,我们重现了 VAF 的负长期尾部,但代数衰减较慢,为 (t^{-2})。