Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS 2 tribofilm

Yusuke Morita, Tasuku Onodera, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Takatoshi Shin-yoshi, Noriaki Nishino, Atsushi Suzuki, Akira Miyamoto

Research output: Contribution to journalArticlepeer-review

55 Citations (Scopus)

Abstract

Recently we have developed a novel molecular dynamics program NEW-RYUDO-CR, which can deal with chemical reactions. The developed method has been applied to the study of tribochemical reaction dynamics of MoS 2 tribofilm on iron surface. The initially amorphous MoS 2 layer self-organized its structure as result of the tribochemical reactions and formed layered MoS 2 tribofilm. The friction coefficient significantly decreased as the MoS 2 tribofilm was formed. Besides, sliding was observed between sulfur layers of MoS 2 tribofilms which occurred due to repulsive Coulombic interaction forces between sulfur atoms. This indicates that the formation of the layered MoS 2 tribofilm is important to achieve better lubrication properties.

Original languageEnglish
Pages (from-to)7618-7621
Number of pages4
JournalApplied Surface Science
Volume254
Issue number23
DOIs
Publication statusPublished - 2008 Sep 30

Keywords

  • Chemical reaction
  • Formation dynamics
  • MoS tribofilm
  • New molecular dynamics method
  • Super-low friction

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Physics and Astronomy(all)
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

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