DataVXACS Applied Materials & InterfacesPaper
journal article·2017-10-04

Tight-Binding Quantum Chemical Molecular Dynamics Study on the Friction and Wear Processes of Diamond-Like Carbon Coatings: Effect of Tensile Stress

Yang Wang, Jingxiang Xu, Yusuke Ootani, Shandan Bai, Yuji Higuchi, Nobuki Ozawa, Koshi Adachi, Jean Michel Martin, Momoji Kubo

ACS Applied Materials & Interfaces· Volume 9· Issue 39
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Source abstract

Abstract

Diamond-like carbon (DLC) coatings have attracted much attention as an excellent solid lubricant due to their low-friction properties. However, wear is still a problem for the durability of DLC coatings. Tensile stress on the surface of DLC coatings has an important effect on the wear behavior during friction. To improve the tribological properties of DLC coatings, we investigate the friction process and wear mechanism under various tensile stresses by using our tight-binding quantum chemical molecular dynamics method. We observe the formation of C-C bonds between two DLC substrates under high tensile stress during friction, leading to a high friction coefficient. Furthermore, under high tensile stress, C-C bond dissociation in the DLC substrates is observed during friction, indicating the atomic-level wear. These dissociations of C-C bonds are caused by the transfer of surface hydrogen atoms during friction. This work provides atomic-scale insights into the friction process and the wear mechanism of DLC coatings during friction under tensile stress.
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Research context

OpenAlex topics: Diamond and Carbon-based Materials Research · Advanced materials and composites · Metal and Thin Film Mechanics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan

New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

Department of Mechanical System Engineering, Graduate School of Engineering, Tohoku University, 6-6-01 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

Laboratory of Tribology and System Dynamics, Ecole Central de Lyon, 36 Avenue Guy de Collongue, 69134 Ecully Cedex, France

Funding

Ministry of Education, Culture, Sports, Science and Technology · Core Research for Evolutional Science and Technology · Japan Society for the Promotion of Science · Japan Science and Technology Agency · Reconstruction Agency, Government of Japan · Council for Science, Technology and Innovation, Cabinet Office, Government of Japan

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