Mundy, Christopher J. ; Balasubramanian, Sundaram ; Klein, Michael L. (1996) Hydrodynamic boundary conditions for confined fluids via a nonequilibrium molecular dynamics simulation The Journal of Chemical Physics, 105 (8). pp. 3211-3215. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v105/i8/p3211...
Related URL: http://dx.doi.org/10.1063/1.471836
Abstract
A nonequilibrium molecular dynamics algorithm is employed to study a fluid confined between two immobile walls. The linear response theory of Bocquet and Barrat [Phys. Rev. E 49, 3079 (1994)] is used to relate phenomenological parameters, which determine the boundary conditions of the interface, to averages over microscopic quantities that can be obtained directly from the simulation. The parameters, which characterize "stick" or "slip" behavior and the thickness of the immobile fluid layer at the boundaries, have been determined for a model system: namely, a soft-sphere fluid interacting with corrugated walls.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Molecular Dynamics Calculations; Nonequilibrium; Shear Flow; Computerized Simulation; Algorithms; Fluids; Wall Effects; Boundary Conditions; Hydrodynamics |
| ID Code: | 79815 |
| Deposited On: | 30 Jan 2012 04:44 |
| Last Modified: | 30 Jan 2012 04:44 |
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