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Dynamical properties of densely packed confined hard-sphere fluids.
Physical Review E ( IF 2.2 ) Pub Date : 2020-07-28 , DOI: 10.1103/physreve.102.012612
Gerhard Jung 1 , Michele Caraglio 1 , Lukas Schrack 1 , Thomas Franosch 1
Affiliation  

Numerical solutions of the mode-coupling theory (MCT) equations for a hard-sphere fluid confined between two parallel hard walls are elaborated. The governing equations feature multiple parallel relaxation channels which significantly complicate their numerical integration. We investigate the intermediate scattering functions and the susceptibility spectra close to structural arrest and compare to an asymptotic analysis of the MCT equations. We corroborate that the data converge in the β-scaling regime to two asymptotic power laws, viz. the critical decay and the von Schweidler law. The numerical results reveal a nonmonotonic dependence of the power-law exponents on the slab width and a nontrivial kink in the low-frequency susceptibility spectra. We also find qualitative agreement of these theoretical results to event-driven molecular dynamics simulations of polydisperse hard-sphere systems. In particular, the nontrivial dependence of the dynamical properties on the slab width is well reproduced.

中文翻译:

密堆积密闭硬球流体的动力学特性。

详细阐述了限制在两个平行硬壁之间的硬球流体的模式耦合理论 (MCT) 方程的数值解。控制方程具有多个平行弛豫通道,这使它们的数值积分显着复杂化。我们研究了接近结构停滞的中间散射函数和磁化率谱,并与 MCT 方程的渐近分析进行了比较。我们证实数据收敛于β-将制度缩放到两个渐近幂律,即。临界衰减和冯施魏德勒定律。数值结果揭示了幂律指数对平板宽度的非单调依赖性和低频磁化率谱中的非平凡扭结。我们还发现这些理论结果与多分散硬球系统的事件驱动分子动力学模拟的定性一致。特别是,动力学特性对板坯宽度的非平凡依赖性得到了很好的再现。
更新日期:2020-07-28
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