A Phase Field Approach to No Slip Boundary Conditions in Dissipative Particle Dynamics and Other Particle Models for Fluid Flow in Geometrically Complex Confined Systems

Journal Article · Mon Jun 01 04:00:00 EDT 2009 · Journal of Chemical Physics

OSTI ID:974425

Meakin, Paul; Xu, Zhijie

Dissipative particle dynamics (DPD) is an effective mesoscopic particle model with a lower computational cost than molecular dynamics because of the soft potentials that it employs. However, the soft potential is not strong enough to prevent the fluid DPD particles from penetrating solid boundaries represented by stationary DPD particles. A phase field variable, _(x,t) , is used to indicate the phase at point x and time t, with a smooth transition from -1 (phase 1) to +1 (phase 2) across the interface. We describe an efficient implementation of no-slip boundary conditions in DPD models that combine solid-liquid particle-particle interactions with reflection at a sharp boundary located with subgrid scale accuracy using the phase field. This approach can be used for arbitrarily complex flow geometries and other similar particle models (such as smoothed particle hydrodynamics), and the validity of the model is demonstrated by flow in confined systems with various geometries.

• Research Organization: Idaho National Laboratory (INL)
• Sponsoring Organization: DOE - SC
• DOE Contract Number: AC07-05ID14517
• OSTI ID: 974425
• Report Number(s): INL/JOU-09-15502
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Vol. 130; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

58 GEOSCIENCES
ACCURACY
BOUNDARY CONDITIONS
FLUID FLOW
HYDRODYNAMICS
IMPLEMENTATION
PARTICLE MODELS
REFLECTION
SLIP
dissipative particle dynamics