Delmotte Blaise, Keaveny Eric E
IMFT-CNRS, UMR 5502 1, Allée du Professeur Camille Soula, Toulouse, France.
Department of Mathematics, South Kensington Campus, Imperial College London, London SW7 2AZ, United Kingdom.
J Chem Phys. 2015 Dec 28;143(24):244109. doi: 10.1063/1.4938173.
Fluctuating hydrodynamics has been successfully combined with several computational methods to rapidly compute the correlated random velocities of Brownian particles. In the overdamped limit where both particle and fluid inertia are ignored, one must also account for a Brownian drift term in order to successfully update the particle positions. In this paper, we present an efficient computational method for the dynamic simulation of Brownian suspensions with fluctuating hydrodynamics that handles both computations and provides a similar approximation as Stokesian Dynamics for dilute and semidilute suspensions. This advancement relies on combining the fluctuating force-coupling method (FCM) with a new midpoint time-integration scheme we refer to as the drifter-corrector (DC). The DC resolves the drift term for fluctuating hydrodynamics-based methods at a minimal computational cost when constraints are imposed on the fluid flow to obtain the stresslet corrections to the particle hydrodynamic interactions. With the DC, this constraint needs only to be imposed once per time step, reducing the simulation cost to nearly that of a completely deterministic simulation. By performing a series of simulations, we show that the DC with fluctuating FCM is an effective and versatile approach as it reproduces both the equilibrium distribution and the evolution of particulate suspensions in periodic as well as bounded domains. In addition, we demonstrate that fluctuating FCM coupled with the DC provides an efficient and accurate method for large-scale dynamic simulation of colloidal dispersions and the study of processes such as colloidal gelation.
波动流体动力学已成功与多种计算方法相结合,以快速计算布朗粒子的相关随机速度。在忽略粒子和流体惯性的过阻尼极限情况下,为了成功更新粒子位置,还必须考虑布朗漂移项。在本文中,我们提出了一种用于布朗悬浮液动态模拟的高效计算方法,该方法结合了波动流体动力学,既能处理计算,又能为稀溶液和半稀溶液提供与斯托克斯动力学相似的近似值。这一进展依赖于将波动力耦合方法(FCM)与一种新的中点时间积分方案相结合,我们将其称为漂移校正器(DC)。当对流体流动施加约束以获得粒子流体动力学相互作用的应力子校正时,DC以最小的计算成本解决了基于波动流体动力学方法的漂移项。使用DC时,每次时间步只需施加一次此约束,从而将模拟成本降低到几乎与完全确定性模拟相同的水平。通过进行一系列模拟,我们表明带有波动FCM的DC是一种有效且通用的方法,因为它能在周期性和有界域中再现颗粒悬浮液的平衡分布和演化。此外,我们证明了波动FCM与DC相结合为胶体分散体的大规模动态模拟以及胶体凝胶化等过程的研究提供了一种高效且准确的方法。