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Atomistic simulations of tribochemical reactions at carbon surfaces

: Moras, G.; Pastewka, L.; Mulakaluri, N.; Gumbsch, P.; Moseler, M.; Gola, M.

Raparelli, T. ; Italian Tribology Association -AIT-:
WTC 2013, 5th World Tribology Congress. Extended abstracts : Held in Torino (Italy) on September 8-13, 2013
Torino, 2013
ISBN: 978-88-908185-0-9 (CD-ROM)
ISBN: 978-1-63439-352-2 (Ausgabe Curran)
World Tribology Congress (WTC) <5, 2013, Torino>
Fraunhofer IWM ()
tribochemistry; diamond; diamond-like carbon; atomistic simulations

Tribochemical reactions occurring at carbon surfaces have a strong influence on the friction and wear properties of diamond and diamond-like carbon (DLC) surfaces [1]. Molecules that are in contact with a surface can undergo dissociative chemisorption before or during tribological load and passivate dangling bonds. This prevents the formation of strong covalent bonds between sliding surfaces, resulting in a lower friction coefficient. Furthermore, molecules can physisorb at passivated carbon surfaces by means of hydrogen bonds and van-der-Waals interactions. This can lead to the formation of adsorbed layers that in turn modify the friction properties of the surface. These mechanisms are believed to play a crucial role in the superlubricity that tetrahedral-amorphous carbon (ta-C) surfaces exhibit when in contact with certain OH-containing molecules (e.g. Hydrogen peroxide, glycerol or glycerol monooleate (GMO)) [2,3].