AVS 57th International Symposium & Exhibition
    Tribology Focus Topic Wednesday Sessions
       Session TR+NS+SS-WeA

Paper TR+NS+SS-WeA11
Modeling Tribochemistry of DLC vs DLC in the Presence of Water

Wednesday, October 20, 2010, 5:20 pm, Room Tesuque

Session: Mechanical & Chemical Effects on Friction and Wear
Presenter: J.A. Harrison, United States Naval Academy
Authors: J.A. Harrison, United States Naval Academy
P.T. Mikulski, United States Naval Academy
M.T. Knippenberg, United States Naval Academy
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Because the structure and properties of diamond-like carbon (DLC) can vary depending upon deposition conditions, the tribological response of DLC (and diamond) is very sensitive to environmental conditions. For instance, the presence of water vapor has been shown to negatively impact the friction performance of hydrogenated DLCs but to improve the performance of nanocrystalline and ultrananocrystaline DLCs. Tribochemical reactions of the water with the DLC are thought to be at the heart of this long-standing puzzle.

With that in mind, we have been working to develop a potential energy function that is capable of modeling DLC in the presence of water. To be realistic, such a potential energy function should be able to model tribochemical reactions that may occur as a result of the sliding. In addition, because H, C, and O have very different electronegativities, the potential energy function must be capable of modeling charges and fluctuating charges that arise from electronegativity differences in a realistic way. This talk will outline our efforts at potential development and present some preliminary results of DLC friction in the presence of water.

**Supported by The Air Force Office of Scientific Research.