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Title: 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

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 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.

Authors:
;
Publication Date:
Research Org.:
Idaho National Laboratory (INL)
Sponsoring Org.:
DOE - SC
OSTI Identifier:
974425
Report Number(s):
INL/JOU-09-15502
Journal ID: ISSN 0021-9606; JCPSA6; TRN: US1002315
DOE Contract Number:  
DE-AC07-05ID14517
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 130
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES; ACCURACY; BOUNDARY CONDITIONS; FLUID FLOW; HYDRODYNAMICS; IMPLEMENTATION; PARTICLE MODELS; REFLECTION; SLIP; dissipative particle dynamics

Citation Formats

Paul Meakin, and Zhijie Xu. 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. United States: N. p., 2009. Web.
Paul Meakin, & Zhijie Xu. 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. United States.
Paul Meakin, and Zhijie Xu. Mon . "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". United States.
@article{osti_974425,
title = {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},
author = {Paul Meakin and Zhijie Xu},
abstractNote = {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.},
doi = {},
journal = {Journal of Chemical Physics},
number = ,
volume = 130,
place = {United States},
year = {Mon Jun 01 00:00:00 EDT 2009},
month = {Mon Jun 01 00:00:00 EDT 2009}
}