论文标题

硬球浴中的大胶体粒子的动力和摩擦:Langevin动力学模拟和流体动力描述

Dynamics and friction of a large colloidal particle in a bath of hard spheres: Langevin dynamics simulations and hydrodynamic description

论文作者

Orts, Francisco, Ortega, Gloria, Garzon, Ester M., Fuchs, Matthias, Puertas, Antonio M.

论文摘要

对复杂浴中示踪剂颗粒动力学的分析可以提供有关浴室微观行为的有价值信息。在这项工作中,我们通过Langevin Dynamics模拟和连续力学中的理论模型研究了胶体浴中强制示踪剂的动力学。在模拟中,浴缸由准硬球体组成,体积分数为50%,沉浸在无特征的静态溶剂中,示踪剂用恒定的小力(在线性状态内)拉动。理论分析基于Navier Stokes方程,其中与速度成比例的术语是由用溶剂与胶体颗粒的摩擦摩擦产生的。结果,最终方程与Brinkman模型相似,尽管解释是不同的。长度尺度出现在模型1/k_0中,其中横向动量传输与溶剂交叉至摩擦。示踪剂经历的有效摩擦系数随示踪剂大小而生长的速度快于Stokes Law的预测。此外,浴缸衰减中的速度曲线比牛顿液中的速度快。模拟与理论之间的比较指向示踪剂表面有效部分滑动的边界条件。我们还研究了示踪剂位置的波动,表明它长时间扩散,并在中间时期具有次延伸性。从平方平均位移的长时间斜率获得的扩散系数通过稳定的示踪剂速度计算得出的摩擦系数实现了Stokes-Einstein的关系,从而确认了线性响应形式的有效性。

The analysis of the dynamics of tracer particles in a complex bath can provide valuable information about the microscopic behaviour of the bath. In this work, we study the dynamics of a forced tracer in a colloidal bath by means of Langevin dynamics simulations and a theory model within continuum mechanics. In the simulations, the bath is comprised by quasi-hard spheres with a volume fraction of 50% immersed in a featureless quiescent solvent, and the tracer is pulled with a constant small force (within the linear regime). The theoretical analysis is based on the Navier Stokes equation, where a term proportional to the velocity arises from coarse-graining the friction of the colloidal particles with the solvent. As a result, the final equation is similar to the Brinkman model, although the interpretation is different. A length scale appears in the model, 1/k_0, where the transverse momentum transport crosses over to friction with the solvent. The effective friction coefficient experienced by the tracer grows with the tracer size faster than the prediction from Stokes law. Additionally, the velocity profiles in the bath decay faster than in a Newtonian fluid. The comparison between simulations and theory points to a boundary condition of effective partial slip at the tracer surface. We also study the fluctuations in the tracer position, showing that it reaches diffusion at long times, with a subdiffusive regime at intermediate times. The diffusion coefficient, obtained from the long-time slope of the mean squared displacement, fulfills the Stokes-Einstein relation with the friction coefficient calculated from the steady tracer velocity, confirming the validity of the linear response formalism.

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