6533b85cfe1ef96bd12bc089
RESEARCH PRODUCT
Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory
Friederike SchmidShuanhu Qisubject
Physics010304 chemical physicsContinuum (measurement)On the flyKineticsFOS: Physical sciencesGeneral ChemistryCondensed Matter - Soft Condensed MatterCondensed Matter PhysicsDynamic density01 natural sciences0103 physical sciencesBrownian dynamicsSoft Condensed Matter (cond-mat.soft)Polymer blendStatistical physics010306 general physicsFunctional theorydescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-01-01 | Soft Matter |