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Molecular Dynamics Simulations of Contact Line Motion

Published online by Cambridge University Press:  21 February 2011

Mark O. Robbins  and
Peter A. Thompson
Mark O. Robbins
Affiliation:
The Johns Hopkins University, Dept. of Physics and Astronomy, Baltimore, MD 21218 Institute for Theoretical Physics, University of California, Santa Barbara, CA 93106
Peter A. Thompson
Affiliation:
The Johns Hopkins University, Dept. of Physics and Astronomy, Baltimore, MD 21218
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Abstract

We report on molecular dynamics simulations of incompressible Lennard-Jones fluids sheared between two solid walls. Boundary conditions and flow fields were studied for both single fluid and immiscible two-fluid systems. For single fluid systems, equal wall and fluid densities or strong wall-fluid couplings crystallized the first layers of fluid atoms. Different wall densities and weaker coupling led to normal Couette flow with a no-slip boundary condition. Our simulations of two fluid systems indicate that there is always slip within ∼ 2 atomic spacings from the contact line. This slip appears to be associated with the breakdown of hydrodynamics at atomic scales. Changes with capillary number in the interface shape and dynamic contact angle were consistent with previous analytic results.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 177: Symposium V – Macromolecular Liquids , 1989 , 411
Copyright
Copyright © Materials Research Society 1990

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References

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