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Phys. Rev. B 72, 172201 (2005) [4 pages]

Simulation of friction in nanoconfined fluids for an arbitrarily low shear rate

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Jerome Delhommelle and Peter T. Cummings
Department of Chemical Engineering, Vanderbilt University, 118 Olin Hall, Nashville, Tennessee 37235-1604

Received 13 June 2005; published 29 November 2005

Molecular dynamics (MD) simulations are a valuable tool to characterize the microscopic mechanisms underlying friction. However, the lowest shear rate accessible by current MD methods is at least four orders of magnitude larger than those typically used in experiments. Using the transient-time correlation function, we show how MD simulations can be extended to study systems subjected to a realistic shear rate. We demonstrate the usefulness of this approach by studying the frictional response of a simple fluid confined to a film of about five molecular diameters.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.72.172201
DOI:
10.1103/PhysRevB.72.172201
PACS:
66.20.+d, 02.70.Ns, 81.40.Pq