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

Research output: Contribution to journalArticlepeer-review

21 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)34396-34404
Number of pages9
JournalACS Applied Materials and Interfaces
Volume9
Issue number39
DOIs
Publication statusPublished - 2017 Oct 4

Keywords

  • Diamond-like carbon
  • Friction
  • Hydrogen
  • Interfacial chemistry
  • Tensile stress
  • Tight-binding quantum chemical molecular dynamics
  • Wear

ASJC Scopus subject areas

  • Materials Science(all)

Fingerprint Dive into the research topics of 'Tight-binding quantum chemical molecular dynamics study on the friction and wear processes of diamond-like carbon coatings: Effect of tensile stress'. Together they form a unique fingerprint.

Cite this