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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.
J Chem Phys 2009; 130(23):234103JC

Abstract

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 DPD particles that are used to represent the fluid from penetrating solid boundaries represented by stationary DPD particles. A phase-field variable, phi(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 combines 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 DPD simulations of flow in confined systems with various geometries.

Authors+Show Affiliations

Energy Resource Recovery and Management, Idaho National Laboratory, Idaho Falls, Idaho 83415, USA. zhijie.xu@inl.govNo affiliation info available

Pub Type(s)

Journal Article

Language

eng

PubMed ID

19548707

Citation

Xu, Zhijie, and Paul Meakin. "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." The Journal of Chemical Physics, vol. 130, no. 23, 2009, p. 234103.
Xu Z, Meakin P. 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. J Chem Phys. 2009;130(23):234103.
Xu, Z., & Meakin, P. (2009). 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. The Journal of Chemical Physics, 130(23), p. 234103. doi:10.1063/1.3152634.
Xu Z, Meakin P. 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. J Chem Phys. 2009 Jun 21;130(23):234103. PubMed PMID: 19548707.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - 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. AU - Xu,Zhijie, AU - Meakin,Paul, PY - 2009/6/25/entrez PY - 2009/6/25/pubmed PY - 2009/6/25/medline SP - 234103 EP - 234103 JF - The Journal of chemical physics JO - J Chem Phys VL - 130 IS - 23 N2 - 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 DPD particles that are used to represent the fluid from penetrating solid boundaries represented by stationary DPD particles. A phase-field variable, phi(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 combines 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 DPD simulations of flow in confined systems with various geometries. SN - 1089-7690 UR - https://www.unboundmedicine.com/medline/citation/19548707/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_ L2 - https://dx.doi.org/10.1063/1.3152634 DB - PRIME DP - Unbound Medicine ER -
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