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Science 11 March 2005:
Vol. 307. no. 5715, pp. 1612 - 1615
DOI: 10.1126/science.1107895

Reports

Molecular Mechanisms for the Functionality of Lubricant Additives

Nicholas J. Mosey,1 Martin H. Müser,2* Tom K. Woo1

Wear limits the life-span of many mechanical devices with moving parts. To reduce wear, lubricants are frequently enriched with additives, such as zinc phosphates, that form protective films on rubbing surfaces. Using first-principles molecular dynamics simulations of films derived from commercial additives, we unraveled the molecular origin of how antiwear films can form, function, and dissipate energy. These effects originate from pressure-induced changes in the coordination number of atoms acting as cross-linking agents to form chemically connected networks. The proposed mechanism explains a diverse body of experiments and promises to prove useful in the rational design of antiwear additives that operate on a wider range of surface materials, with reduced environmental side effects.

1 Department of Chemistry, University of Western Ontario, London, Ontario, Canada, N6A 5B7.
2 Department of Applied Mathematics, University of Western Ontario, London, Ontario, Canada, N6A 5B7.

* To whom correspondence should be addressed. E-mail: mmuser{at}uwo.ca

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THIS ARTICLE HAS BEEN CITED BY OTHER ARTICLES:
Friction between solids.
J. A Harrison, G. Gao, J.D. Schall, M. T. Knippenberg, and P. T Mikulski (2008)
Phil Trans R Soc A 366, 1469-1495
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Science. ISSN 0036-8075 (print), 1095-9203 (online)