Theoretical Calculations of Coefficients of Friction between Weakly Interacting Surfaces

Ab initio molecular orbital calculations were performed to predict the friction force and the coefficient of friction between surfaces contacted by van der Waals forces. Friction between graphite and a body terminated by hydrogen atoms was calculated for model systems of a naphthalene/hydrogen molec...

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Bibliographic Details
Published inThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 101; no. 51; pp. 10045 - 10052
Main Authors Matsuzawa, Nobuyuki N, Kishii, Noriyuki
Format Journal Article
LanguageEnglish
Published American Chemical Society 18.12.1997
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Summary:Ab initio molecular orbital calculations were performed to predict the friction force and the coefficient of friction between surfaces contacted by van der Waals forces. Friction between graphite and a body terminated by hydrogen atoms was calculated for model systems of a naphthalene/hydrogen molecule and a pyrene/hydrogen molecule. The calculations showed that the friction for this system is isotropic. A coefficient of friction of 0.011−0.015 was predicted, which was in agreement with values from various friction-force microscope measurements, and was located at the lower limit of the macroscale experimental values. A theory to account for the calculated microscale friction is presented, and the derived results are compared to the calculated results.
Bibliography:istex:D0B8636FC98CFC385D2E4A3B64A82ED839B17D76
Abstract published in Advance ACS Abstracts, November 15, 1997.
ark:/67375/TPS-SCJCGLVJ-5
ISSN:1089-5639
1520-5215
DOI:10.1021/jp9717204