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

Jerome Delhommelle and Peter T. Cummings
Phys. Rev. B 72, 172201 – Published 29 November 2005

Abstract

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.

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  • Received 13 June 2005

DOI:https://doi.org/10.1103/PhysRevB.72.172201

©2005 American Physical Society

Authors & Affiliations

Jerome Delhommelle and Peter T. Cummings

  • Department of Chemical Engineering, Vanderbilt University, 118 Olin Hall, Nashville, Tennessee 37235-1604

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Issue

Vol. 72, Iss. 17 — 1 November 2005

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