Thursday, 3 November 2005 - 8:42 AM
468c
Simulation of Friction in Nanoconfined Fluids for an Arbitrarily Low Shear Rate
Jerome P. Delhommelle and Peter T. Cummings. Chemical Engineering, Vanderbilt University, 118 Olin Hall, Nashville, TN 37235
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 4 order 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 5 molecular diameters.
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