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arXiv 2409.04445cond-mat.softphysics.flu-dyn
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液-固界面处由扭折传播引起的滑移

Slip Due to Kink Propagation at the Liquid-Solid Interface

Metehan Cam, Christopher G. Goedde, Seth Lichter

AI总结:

本文通过非平衡分子动力学模拟和增广 Frenkel–Kontorova 模型,揭示液-固界面滑移可由高速传播的局域非线性扭折波主导,而非独立原子扩散。

摘要:

在 Couette 流中,紧邻固体基底的液体原子相对于基底可能具有有限的平均切向速度。这种所谓的滑移已被频繁观测到。然而,导致液体滑移的具体分子尺度机制仍知之甚少。人们通常假设液体滑移通过表面扩散发生,即原子独立地从一个基底平衡位置移动到另一个平衡位置。我们表明,在某些条件下,液体滑移并非源于孤立的独立分子运动,而是源于局域非线性波;这些波在液-固界面传播,其速度比滑移速度高出数个数量级。利用非平衡分子动力学模拟,我们发现了这些波的性质,以及它们在何种条件下会成为滑移的主要引发者。我们还通过使用增广 Frenkel–Kontorova 模型,为这些非线性波的性质提供了理论指导。我们的结果所提供的新认识,可能提升液-固界面在传热、混合以及表面介导催化方面的能力。

英文摘要:

In Couette flow, the liquid atoms adjacent to a solid substrate may have a finite average tangential velocity relative to the substrate. This so-called slip has been frequently observed. However, the particular molecular-level mechanisms that give rise to liquid slip are poorly understood. It is often assumed that liquid slip occurs by surface diffusion whereby atoms independently move from one substrate equilibrium site to another. We show that under certain conditions, liquid slip is due not to singular independent molecular motion, but to localized nonlinear waves that propagate at speeds that are orders of magnitude greater than the slip velocity at the liquid-solid interface. Using non-equilibrium molecular dynamics simulations, we find the properties of these waves and the conditions under which they are to be expected as the main progenitors of slip. We also provide a theoretical guide to the properties of these nonlinear waves by using an augmented Frenkel-Kontorova model. The new understanding provided by our results may lead to enhanced capabilities of the liquid-solid interface, for heat transfer, mixing, and surface-mediated catalysis.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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