Using field theory to construct hybrid particle-continuum simulation schemes with adaptive resolution for soft matter systems

Abstract

We develop a multiscale hybrid scheme for simulations of soft condensed matter systems, which allows one to treat the system at the particle level in selected regions of space, and at the continuum level elsewhere. It is derived systematically from an underlying particle-based model by field theoretic methods. Particles in different representation regions can switch representations on the fly, controlled by a spatially varying tuning function. As a test case, the hybrid scheme is applied to simulate colloid-polymer composites with high resolution regions close to the colloids. The hybrid simulations are significantly faster than reference simulations of a pure particle-based model, and the results are in good agreement.

8 pages, 3 figures

References in corpus (6)

• Hamiltonian adaptive resolution simulation for molecular liquids
• Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
• Spontaneous formation of complex micelles from homogeneous solution
• Multiscale modelling of liquids with molecular specificity
• Dynamic Colloidal Stabilization by Nanoparticle Halos
• Hydrodynamic Self-Consistent Field Theory for Inhomogeneous Polymer Melts

Cited by in corpus (5)

• Classical dynamical density functional theory: from fundamentals to applications
• Polydisperse polymer brushes: internal structure, critical behavior, and interaction with flow
• Stimuli-responsive brushes with active minority components: Monte Carlo study and analytical theory
• Dynamic density functional theories for inhomogeneous polymer systems compared to Brownian dynamics simulations
• A hybrid particle-continuum resolution method and its application to a homopolymer solution