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Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory

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Abstract

We present a multiscale hybrid particle-field scheme for the simulation of relaxation and diffusion behavior of soft condensed matter systems. It combines particle-based Brownian dynamics and field-based local dynamics in an adaptive sense such that particles can switch their level of resolution on the fly. The switching of resolution is controlled by a tuning function which can be chosen at will according to the geometry of the system. As an application, the hybrid scheme is used to study the kinetics of interfacial broadening of a polymer blend, and is validated by comparing the results to the predictions from pure Brownian dynamics and pure local dynamics calculations.

Graphical abstract: Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory

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Publication details

The article was received on 30 Aug 2017, accepted on 10 Oct 2017 and first published on 10 Oct 2017


Article type: Paper
DOI: 10.1039/C7SM01749A
Citation: Soft Matter, 2017, Advance Article
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    Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory

    S. Qi and F. Schmid, Soft Matter, 2017, Advance Article , DOI: 10.1039/C7SM01749A

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