Constant temperature molecular dynamics simulations and the adaptive intermolecular reactive empirical bond-order potential energy function  (AIREBO) were used to examine the tribology of model self-assembled monolayers (SAMs) attached to diamond substrates. Two types of monolayers were examined. One was composed of alkane chains containing 14 carbons atoms and the other was composed of equal mixtures of 12 and 16 carbon-atom chains. The simulations have yielded unique insight into the origin of the friction differences between the two monolayer systems.
The Tribology of Carbon, Hydrogen, and Silicon-Containing Solid Lubricants (Keynote)
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Harrison, JA, Gao, GT, Chateauneuf, GM, Schall, JD, Van Workum, K, & Mikulski, PT. "The Tribology of Carbon, Hydrogen, and Silicon-Containing Solid Lubricants (Keynote)." Proceedings of the World Tribology Congress III. World Tribology Congress III, Volume 2. Washington, D.C., USA. September 12–16, 2005. pp. 707-708. ASME. https://doi.org/10.1115/WTC2005-63141
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