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Hybrid Particle-Continuum Simulations Coupling Brownian Dynamics and Local Dynamic Density Functional Theory

2017/09/05 by Shuanhu Qi, Friederike Schmid, Qi, Shuanhu +1
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Material Dynamics and Properties #Scientific Research and Discoveries #Soft Condensed Matter (cond-mat.soft) #Theoretical and Computational Physics

paper · pdf · doi:10.48550/arxiv.1709.01359

openalex publication_date 2017/09/05 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01

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.

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