NDLI: Hybrid Computations Using Continuum and Molecular Dynamics for Micro-fluidics

Content Provider	IEEE Xplore Digital Library
Author	Jia Cui Guowei He
Copyright Year	2006
Description	Author affiliation: LNM, Chinese Acad. of Sci. (Jia Cui; Guowei He)
Abstract	A hybrid numerical method of particle-continuum dynamics designed for micro-fluidics is being developed which solves the Navier-Stokes equations in one domain, where the continuum description is still valid, and uses the molecular dynamics in another domain where the continuum description fails. The matching of these two descriptions can be achieved by a constrained particle dynamics in the overlap region, which exchanges the information between the molecular dynamics and the Navier-Stokes equations. However, the existing models for the constraint particle dynamics often have the empirical parameters such as the coupling parameter, the size of overlap domain and the ratio of the time steps for the molecular dynamics and the Navier-Stokes equation. In this paper, we develop a dynamic Langevin equation, and the coupling parameters in the models can be determined by the velocity consistent constraint. The dynamic scheme is used to simulate the sudden-start Couette flows with either slip or no-slip boundary conditions. The results obtained are quantitatively in agreement with the analytical solutions under the no-slip boundary condition and the full MD simulations under the certain slip boundary conditions. This agreement demonstrates the validity of the dynamic Langevin equation
Starting Page	1494
Ending Page	1498
File Size	5421997
Page Count	5
File Format	PDF
ISBN	1424401399
DOI	10.1109/NEMS.2006.334815
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2006-01-18
Publisher Place	China
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Navier-Stokes equations Boundary conditions Fluid dynamics Fluid flow Computational modeling Fluidics Systems engineering and theory Helium Content addressable storage Analytical models Langevin hybrid molecular dynamics continuum
Content Type	Text
Resource Type	Article

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