多粒子碰撞动力学模拟中壁面和嵌入粒子的受力计算
Force calculation on walls and embedded particles in multiparticle collision dynamics simulations
摘要：
胶体溶液具有广泛的时间和长度尺度，因此在单个模拟中跟踪所有这些是不可行的。因此，必须应用某种形式的粗粒化。在这项工作中，我们使用多粒子碰撞动力学计划。我们描述了固体表面上的无滑移边界条件的一个特定的实现，能够提供正确的力S的固体绕过计算的速度分布或应力张量在流体中的表面附近。作为一个应用，我们测量了球形颗粒上的摩擦力，当它被放置在一个散装流体和当它被限制在一个狭缝。我们表明，无滑移边界条件的实施导致增强的Ensko g摩擦，这可以理解的分析。由于流体动力相互作用的长程性质，从模拟中获得的Stokes摩擦对模拟箱的大小很敏感。我们解决这个问题的狭缝的几何形状，显示系统大小的依赖性非常不同，从预期的3D系统，周期性的边界条件在所有方向上使用。
英文摘要：
Colloidal solutions posses a wide range of time and length scales, so that it is unfeasible to keep track of all of them within a single simulation. As a consequence some form of coarse-graining must be applied. In this work we use the Multi-Particle Collision Dynamics scheme. We describe a particular implementation of no-slip boundary conditions upon a solid surface, capable of providing correct force s on the solid bypassing the calculation of the velocity profile or the stre ss tensor in the fluid near the surface. As an application we measure the friction on a spherical particle, when it is placed in a bulk fluid and when it is confined in a slit. We show that the implementation of the no-slip boundary conditions leads to an enhanced Ensko g friction, which can be understood analytically. Because of the long-range nature of hydrodynamic interactions, the Stokes friction obtained from the simulations is sensitive of the simulation box size. We address this topic for the slit geometry, showing that that the dependence on the system size differs very much from what is expected in a 3D system, where periodic boundary conditions are used in all directions.
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