First-principles theory of atomic-scale friction

W. Zhong and D. Tománek
Phys. Rev. Lett. 64, 3054 – Published 18 June 1990
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Abstract

We determine the atomic-scale friction associated with a layer of Pd atoms moving across a graphite substrate from ab initio total-energy calculations. We evaluate the friction energy caused by variations of the chemical bond strength and work against an external force (load) due to variations of the bond length along the trajectory. We find only a very small dependence of the Pd-graphite interaction on the adsorption site which gives rise to a very small friction coefficient μ≊102 for loads near 108 N. We also find μ to increase with load in agreement with recent experiments.

  • Received 4 December 1989

DOI:https://doi.org/10.1103/PhysRevLett.64.3054

©1990 American Physical Society

Authors & Affiliations

W. Zhong and D. Tománek

  • Department of Physics and Astronomy and Center for Fundamental Materials Research, Michigan State University, East Lansing, Michigan 48824-1116

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Vol. 64, Iss. 25 — 18 June 1990

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