Simulating hydrodynamic interactions in colloidal suspensions using multiparticle collision dynamics with rigid-body constraints

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Authors: Mark W. Bush, Jeremy C. Palmer, Michael P. Howard
Cited by: 1
References: 77

Abstract

We develop a method for simulating colloidal suspensions using multiparticle collision dynamics (MPCD) with a discrete particle model represented as a rigid body. The key steps for incorporating the rigid-body constraints are to thermalize the velocities of the discrete sites before they participate in the MPCD collision step, then transfer momentum from the sites to the rigid body. We demonstrate that the rigid-body model produces the expected statistics for a single spherical particle and the same transport properties for a hard-sphere colloidal suspension as an equivalent model using harmonic bonds to maintain the site geometry. Importantly, the rigid-body model has less computational overhead and may permit a larger simulation time step than the harmonic-bond model, leading to a nearly order of magnitude speedup in benchmark simulations of hard-sphere colloidal suspensions. Our method is compatible with arbitrary discretization, so it enables more efficient MPCD simulations of suspensions of colloidal particles with complex shapes.

Fields of Study & Subjects

Block Copolymer Self-Assembly Material Dynamics and Properties Lattice Boltzmann Simulation Studies

Publication details

Journal / source
The Journal of Chemical Physics
Publisher
AIP Publishing
Volume
165
Issue
4
Publication date
23 July 2026
Language
EN