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Atomistic Computer Simulations of Nanotribology

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Book cover Springer Handbook of Nanotechnology

Part of the book series: Springer Handbooks ((SHB))

Abstract

Molecular dynamics (MD) and related simulation techniques are powerful tools for improving our understanding of nanotribology. In simulations, materials properties and boundary conditions can be varied at will, and the resulting changes in both macroscopic variables and the dynamics of individual atoms can be observed. This allows one to study systematically the effects of many different factors on friction and wear at the nano-scale. Some examples that are considered in this chapter are (i) the symmetry of contacting surfaces (disordered vs. crystalline and with or without common periods), (ii) surface elasticity, (iii) surface curvature or topology, (iv) interfacial adhesion, and (v) lubricant and/or contaminant molecules present at the interface. Results from simulations and experiments on isolated nano-scale contacts often contradict our experience from macroscopic systems. Kinetic friction coefficients can be orders of magnitude smaller than those observed in macroscopic experiments. Detailed calculations even suggest that there should be no static friction between most pairs of clean, chemically passivated surfaces unless the load is large enough to produce wear. Simulations that test a series of possible mechanisms for static friction are described. Geometrical interlocking can produce static friction in contacts containing only a few atoms, such as an atomic force microscope tip. Larger contacts only exhibit static friction when there is wear, or when the surfaces are separated by a glassy contaminant layer that locks them together. Most surfaces are coated by such films and they are shown to yield friction forces that agree with both nanoscale and macroscopic experiments.

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Abbreviations

AFM:

atomic force microscope/microscopy

EAM:

embedded atom method

MD:

molecular dynamics

QCM:

quartz-crystal microbalance

SFA:

surface forces apparatus

UHV:

ultrahigh vacuum

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Authors and Affiliations

  1. Department of Applied Mathematics, University of Western Ontario, WSC 139, Faculty of Science, N6A 5B7, London, Ontario, Canada

    Martin H. Müser Prof. Dr.

  2. Department of Physics and Astronomy, Johns Hopkins University, 3400 North Charles Street, 21218, Baltimore, MD, USA

    Mark O. Robbins Prof.

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  1. Martin H. Müser Prof. Dr.
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  1. Nanotribology Laboratory for Information Storage and MEMS/NEMS, The Ohio State University, 206 W. 18th Avenue, 43210-1107, Columbus, OH, USA

    Bharat Bhushan Prof.

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Müser, M.H., Robbins, M.O. (2004). Atomistic Computer Simulations of Nanotribology. In: Bhushan, B. (eds) Springer Handbook of Nanotechnology. Springer Handbooks. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-29838-X_23

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