流体动力相互作用的乌藨子模型再访。II。禁闭的影响
The Raspberry Model for Hydrodynamic Interactions Revisited. II. The Effect of Confinement
摘要：
所谓的“乌藨子”模型是指用于模拟胶体颗粒悬浮液动力学的混合格子-玻尔兹曼（LB）和朗之万分子动力学方案，最初由[V. Lobaskin和B. Dünweg，New J.Phys.6，54（2004）]，其中离散表面点用于实现流体-颗粒耦合。在本文中，我们提出了一个跟进，我们的研究的有效性的乌藨子模型再现流体动力学相互作用的斯托克斯制度安排在一个简单的立方晶体[L。Fischer等人，J. Chem.Phys.143，084108（2015）]。在这里，我们考虑的精度与树莓模型是能够重现这种相互作用的粒子之间的两个平行板。为此，我们比较我们的LB模拟结果建立的理论表达式和有限元计算。我们表明，有一个平移和旋转的流动性之间的差异时，只有表面耦合点，也发现在我们的联合出版物的第一部分。我们证明，添加内部耦合点的树莓，可以用来纠正所述的限制几何形状的差异。最后，我们表明，树莓模型准确地再现流体动力学之间的相互作用的球形胶体和平面壁大致一个LB晶格间距。
英文摘要：
The so-called 'raspberry' model refers to the hybrid lattice-Boltzmann (LB) and Langevin molecular dynamics scheme for simulating the dynamics of suspensions of colloidal particles, originally developed by [V. Lobaskin and B. Dünweg, New J. Phys. 6, 54 (2004)], wherein discrete surface points are used to achieve fluid-particle coupling. In this paper, we present a follow up to our study of the effectiveness of the raspberry model in reproducing hydrodynamic interactions in the Stokes regime for spheres arranged in a simple-cubic crystal [L. Fischer, et al., J. Chem. Phys. 143, 084108 (2015)]. Here, we consider the accuracy with which the raspberry model is able to reproduce such interactions for particles confined between two parallel plates. To this end, we compare our LB simulation results to established theoretical expressions and finite-element calculations. We show that there is a discrepancy between the translational and rotational mobility when only surface coupling points are used, as also found in Part I of our joint publication. We demonstrate that adding internal coupling points to the raspberry, can be used to correct said discrepancy in confining geometries as well. Finally, we show that the raspberry model accurately reproduces hydrodynamic interactions between a spherical colloid and planar walls up to roughly one LB lattice spacing.
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