Integration schemes for dissipative particle dynamics simulations: From softly interacting systems towards hybrid models

Integration schemes for dissipative particle dynamics simulations: From softly interacting systems towards hybrid models

Dissipative particle dynamics for interacting multicomponent systems

We formulate the dissipative particle dynamics technique for multicomponent interacting systems and show that the important property of detailed balance is satisfied. There is currently growing interest in the development of ‘mesoscale’ modelling and simulation methods for describing the complex dynamical behaviour of many kinds of soft condensed matter, whose properties have defied conventiona...

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, incl...

Dissipative particle dynamics simulations of polymersomes.

A DPD model of PEO-based block copolymer vesicles in water is developed by introducing a new density based coarse graining and by using experimental data for interfacial tension. Simulated as a membrane patch, the DPD model is in excellent agreement with experimental data for both the area expansion modulus and the scaling of hydrophobic core thickness with molecular weight. Rupture simulations...

Constant-pressure simulations with dissipative particle dynamics.

Dissipative particle dynamics (DPD) is a mesoscopic simulation method for studying hydrodynamic behavior of complex fluids. Ideally, a mesoscopic model should correctly represent the thermodynamic and hydrodynamic properties of a real system beyond certain length and time scales. Traditionally defined DPD quite successfully mimics hydrodynamics but is not flexible enough to accurately describe ...