Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory. Issue 43 (16th October 2017)

• Record Type: Journal Article
• Authors: Qi, Shuanhu; Schmid, Friederike
• Is Part Of: Soft matter. Volume 13:Issue 43(2017)
• Page Start: 7938
• Page End: 7947
• Publication Date: 2017-10-16
• Subjects: Soft condensed matter -- Periodicals; 530.413
• DOI: 10.1039/c7sm01749a
• Languages: English
• ISSNs: 1744-683X

Abstract

Abstract : A hybrid particle-continuum representation of a polymer solution with implicit solvent, which is controlled by a predefined tuning function. 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.