A fluctuating boundary integral method for Brownian suspensions

DOI10.1016/J.JCP.2018.08.021zbMATH Open1416.76323arXiv1709.01480OpenAlexW2753304052WikidataQ129401371 ScholiaQ129401371MaRDI QIDQ2312166FDOQ2312166

Authors: Yuanxun Bao, Manas Rachh, Eric E. Keaveny, Aleksandar Donev, Leslie Greengard 

Publication date: 4 July 2019

Published in: Journal of Computational Physics (Search for Journal in Brave)

Abstract: We present a fluctuating boundary integral method (FBIM) for overdamped Brownian Dynamics (BD) of two-dimensional periodic suspensions of rigid particles of complex shape immersed in a Stokes fluid. We develop a novel approach for generating Brownian displacements that arise in response to the thermal fluctuations in the fluid. Our approach relies on a first-kind boundary integral formulation of a mobility problem in which a random surface velocity is prescribed on the particle surface, with zero mean and covariance proportional to the Green's function for Stokes flow (Stokeslet). This approach yields an algorithm that scales linearly in the number of particles for both deterministic and stochastic dynamics, handles particles of complex shape, achieves high order of accuracy, and can be generalized to three dimensions and other boundary conditions. We show that Brownian displacements generated by our method obey the discrete fluctuation-dissipation balance relation (DFDB). Based on a recently-developed Positively Split Ewald method [A. M. Fiore, F. Balboa Usabiaga, A. Donev and J. W. Swan, J. Chem. Phys., 146, 124116, 2017], near-field contributions to the Brownian displacements are efficiently approximated by iterative methods in real space, while far-field contributions are rapidly generated by fast Fourier-space methods based on fluctuating hydrodynamics. FBIM provides the key ingredient for time integration of the overdamped Langevin equations for Brownian suspensions of rigid particles. We demonstrate that FBIM obeys DFDB by performing equilibrium BD simulations of suspensions of starfish-shaped bodies using a random finite difference temporal integrator.

Full work available at URL: https://arxiv.org/abs/1709.01480

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zbMATH Keywords

fast algorithmStokes flowboundary integral equationBrownian dynamicsfluctuating hydrodynamicscolloidal suspension

Mathematics Subject Classification ID

Stochastic partial differential equations (aspects of stochastic analysis) (60H15) Brownian motion (60J65) Stochastic analysis applied to problems in fluid mechanics (76M35) Suspensions (76T20)

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Cited In (14)

• Fast Ewald summation for Stokes flow with arbitrary periodicity
• A generalised drift-correcting time integration scheme for Brownian suspensions of rigid particles with arbitrary shape
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