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玻璃形成液体中的类固体均方位移。

Solid-like mean-square displacement in glass-forming liquids.

作者信息

Schrøder Thomas B, Dyre Jeppe C

机构信息

"Glass and Time", IMFUFA, Department of Science and Environment, Roskilde University, P. O. Box 260, DK-4000 Roskilde, Denmark.

出版信息

J Chem Phys. 2020 Apr 14;152(14):141101. doi: 10.1063/5.0004093.

Abstract

It was recently shown that the real part of the frequency-dependent fluidity for several glass-forming liquids of different chemistry conforms to the prediction of the random barrier model (RBM) devised for ac electrical conduction in disordered solids [Bierwirth et al., Phys. Rev. Lett. 119, 248001 (2017)]. Inspired by these results, we introduce a crystallization-resistant modification of the Kob-Andersen binary Lennard-Jones mixture for which the results of extensive graphics-processing-unit-based molecular-dynamics simulations are presented. We find that the low-temperature mean-square displacement is fitted well by the RBM prediction, which involves no shape parameters. This finding highlights the challenge of explaining why a simple model based on hopping of non-interacting particles in a fixed random energy landscape with identical minima can reproduce the complex and highly cooperative dynamics of glass-forming liquids.

摘要

最近的研究表明,几种不同化学组成的玻璃形成液体的频率依赖流动性的实部符合为无序固体中的交流电传导设计的随机势垒模型(RBM)的预测[比尔维特等人,《物理评论快报》119,248001(2017)]。受这些结果的启发,我们引入了一种抗结晶的Kob-Andersen二元 Lennard-Jones混合物变体,并给出了基于图形处理单元的广泛分子动力学模拟结果。我们发现,低温均方位移能很好地拟合RBM预测,该预测不涉及形状参数。这一发现凸显了解释为何一个基于非相互作用粒子在具有相同极小值的固定随机能量景观中跳跃的简单模型能够再现玻璃形成液体复杂且高度协同的动力学这一挑战。

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