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A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow

Published online by Cambridge University Press:  03 February 2004

X. B. NIE,
S. Y. CHEN,
W. N. E and
M. O. ROBBINS
X. B. NIE
Affiliation:
Department of Mechanical Engineering, The Johns Hopkins University, Baltimore, MD 21218, USA
S. Y. CHEN
Affiliation:
Department of Mechanical Engineering, The Johns Hopkins University, Baltimore, MD 21218, USACCSE and LTCS, Peking University, Beijing, China
W. N. E
Affiliation:
CCSE and LTCS, Peking University, Beijing, ChinaMathematics Department, Princeton University, Princeton, NJ 08544, USA
M. O. ROBBINS
Affiliation:
Department of Mechanical Engineering, The Johns Hopkins University, Baltimore, MD 21218, USADepartment of Physics and Astronomy, The Johns Hopkins University, Baltimore, MD 21218, USA
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Abstract

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A hybrid multiscale method is developed for simulating micro- and nano-scale fluid flows. The continuum Navier–Stokes equation is used in one flow region and atomistic molecular dynamics in another. The spatial coupling between continuum equations and molecular dynamics is achieved through constrained dynamics in an overlap region. The proposed multiscale method is used to simulate sudden-start Couette flow and channel flow with nano-scale rough walls, showing quantitative agreement with results from analytical solutions and full molecular dynamics simulations for different parameter regimes. Potential applications of the proposed multiscale method are discussed.

Information

Type
Papers
Information
Journal of Fluid Mechanics , Volume 500 , April 2004, pp. 55 - 64
Copyright
© 2004 Cambridge University Press