11 research outputs found
Integration Schemes for Dissipative Particle Dynamics Simulations: From Softly Interacting Systems Towards Hybrid Models
We examine the performance of various commonly used integration schemes in
dissipative particle dynamics simulations. We consider this issue using three
different model systems, which characterize a variety of different conditions
often studied in simulations. Specifically we clarify the performance of
integration schemes in hybrid models, which combine microscopic and meso-scale
descriptions of different particles using both soft and hard interactions. We
find that in all three model systems many commonly used integrators may give
rise to surprisingly pronounced artifacts in physical observables such as the
radial distribution function, the compressibility, and the tracer diffusion
coefficient. The artifacts are found to be strongest in systems, where
interparticle interactions are soft and predominated by random and dissipative
forces, while in systems governed by conservative interactions the artifacts
are weaker. Our results suggest that the quality of any integration scheme
employed is crucial in all cases where the role of random and dissipative
forces is important, including hybrid models where the solvent is described in
terms of soft potentials
Towards Better Integrators for Dissipative Particle Dynamics Simulations
Coarse-grained models that preserve hydrodynamics provide a natural approach
to study collective properties of soft-matter systems. Here, we demonstrate
that commonly used integration schemes in dissipative particle dynamics give
rise to pronounced artifacts in physical quantities such as the compressibility
and the diffusion coefficient. We assess the quality of these integration
schemes, including variants based on a recently suggested self-consistent
approach, and examine their relative performance. Implications of
integrator-induced effects are discussed.Comment: 4 pages, 3 figures, 2 tables, accepted for publication in Phys. Rev.
E (Rapid Communication), tentative publication issue: 01 Dec 200