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DOE OSTI · 1566434

Modeling hydrodynamic interactions in soft materials with multiparticle collision dynamics

Howard, Michael P.·Nikoubashman, Arash·Palmer, Jeremy C.
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Abstract

Multiparticle collision dynamics (MPCD) is a flexible and robust mesoscale computational technique for simulating solvent-mediated hydrodynamic interactions in soft materials. Here, we provide a critical overview of the MPCD method and summarize its current strengths and limitations. The capabilities of the method are highlighted by reviewing its recent applications to simulate diverse phenomena, ranging from the flow of complex fluids and thermo-osmotic transport to bacterial swimming and active particle self-assembly. We also discuss outstanding challenges and emerging methodological developments that are expected to greatly expand the applicability of MPCD to other systems of technological importance.

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catalysis (heterogeneous)charge transportmaterials and chemistry by designmembranesmesoscale sciencemesostructured materialsseparationssynthesis (novel materials)synthesis (predictive)synthesis (self-assembly)water

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Howard, Michael P., Nikoubashman, Arash, Palmer, Jeremy C.. 2019-03-01. Modeling hydrodynamic interactions in soft materials with multiparticle collision dynamics. https://doi.org/10.1016/j.coche.2019.02.007

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