Sp² Hybridization Effects on Friction of Diamond-Like Carbon Film (110) Surfaces Studied by First Principles Molecular Dynamics

Abstract:

The influence of sp² hybridization on friction and structure of diamond-like carbon (DLC) films was studied by first-principles molecular dynamics. First-principles calculations have been performed using the pseudo-potential plane wave method. Our results show that: 1) The buffer role of sp²-hybridized state carbon between grain boundaries greatly affected the residual stress of DLC film, and hence the friction decreased steadily with the increased in sp² hybridization content. 2) For thinner films, there was very greatly differences in stress between diamond-like carbon film (110) surfaces in <001> and<1-10> directions. The difference in friction force between soft and hard directions was nonexistent, when the sp²-hybridized state carbon atoms increased to 80%, perhaps because the originally hard C-C and C-H bonds changed, and steadily reject interaction was drive break.

• Periodical: Advanced Materials Research (Volumes 335-336)
• Pages: 1327-1333
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.335-336.1327
• Online since: September 2011
• Authors: Li Li Wang, Qiang Wan, Yong Jian Tang, Chao Yang Wang
• Keywords: Computational Chemistry, Diamond-Like Carbon (DLC) Film, Frictional Properties, Graphitization

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