The ratios of sp2 to sp3 content for a series of hydrogenated amorphous carbon-silicon systems were determined using molecular dynamics simulation. The values of elastic modulii were then determined for each system using constant tension and constant temperature molecular dynamics simulation method. The relationship between sp2 to sp3 content and modulii was investigated by varying Si and H content in the films. The thermal conductivity and heat capacity were also calculated for each system. A series of sliding simulations was used to determine which properties had the greatest effects on the resulting friction and wear behavior of the films.
Friction and Wear Studies of Hydrogenated Amorphous Carbon Films Containing Silicon
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Schall, JD, Gao, GT, Workum, KV, Mikulski, PT, & Harrison, JA. "Friction and Wear Studies of Hydrogenated Amorphous Carbon Films Containing Silicon." Proceedings of the World Tribology Congress III. World Tribology Congress III, Volume 2. Washington, D.C., USA. September 12–16, 2005. pp. 417-418. ASME. https://doi.org/10.1115/WTC2005-63746
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