Issue 43, 2017

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

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

Article information

Article type
Paper
Submitted
30 Aug 2017
Accepted
10 Oct 2017
First published
10 Oct 2017

Soft Matter, 2017,13, 7938-7947

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

S. Qi and F. Schmid, Soft Matter, 2017, 13, 7938 DOI: 10.1039/C7SM01749A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements