Efficient Brownian Dynamics of rigid colloids in linear flow fields based on the grand mobility matrix

Duraivelan Palanisamy, Wouter K. den Otter (Corresponding Author)

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    3 Citations (Scopus)
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    Abstract

    We present an efficient general method to simulate in the Stokesian limit the coupled translational and rotational dynamics of arbitrarily shaped colloids subject to external potential forces and torques, linear flow fields, and Brownian motion. The colloid’s surface is represented by a collection of spherical primary particles. The hydrodynamic interactions between these particles, here approximated at the Rotne-Prager-Yamakawa level, are evaluated only once to generate the body’s (11 × 11) grand mobility matrix. The constancy of this matrix in the body frame, combined with the convenient properties of quaternions in rotational Brownian Dynamics, enables an efficient simulation of the body’s motion. Simulations in quiescent fluids yield correct translational and rotational diffusion behaviour and sample Boltzmann’s equilibrium distribution. Simulations of ellipsoids and spherical caps under shear, in the absence of thermal fluctuations, yield periodic orbits in excellent agreement with the theories by Jeffery and Dorrepaal. The time-varying stress tensors provide the Einstein coefficient and viscosity of dilute suspensions of these bodies.
    Original languageEnglish
    Article number194112
    Number of pages14
    JournalJournal of chemical physics
    Volume148
    Issue number19
    DOIs
    Publication statusPublished - 2018

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