Title of article
Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS2 tribofilm
Author/Authors
Yusuke Morita، نويسنده , , Tasuku Onodera، نويسنده , , Ai Suzuki، نويسنده , , Riadh Sahnoun، نويسنده , , Michihisa Koyama، نويسنده , , Hideyuki Tsuboi، نويسنده , , Nozomu Hatakeyama، نويسنده , , Akira Endou، نويسنده , , Hiromitsu Takaba، نويسنده , , Momoji Kubo ، نويسنده , , Carlos A. Del Carpio، نويسنده , , Takatoshi Shin-yoshi، نويسنده , , Noriaki Nishino، نويسنده , , Atsushi Suzuki، نويسنده , , Akira Miyamoto ، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
4
From page
7618
To page
7621
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 MoS2 tribofilm on iron surface. The initially amorphous MoS2 layer self-organized its structure as result of the tribochemical reactions and formed layered MoS2 tribofilm. The friction coefficient significantly decreased as the MoS2 tribofilm was formed. Besides, sliding was observed between sulfur layers of MoS2 tribofilms which occurred due to repulsive Coulombic interaction forces between sulfur atoms. This indicates that the formation of the layered MoS2 tribofilm is important to achieve better lubrication properties.
Keywords
Super-low friction , Chemical reaction , MoS2 tribofilm , New molecular dynamics method , Formation dynamics
Journal title
Applied Surface Science
Serial Year
2008
Journal title
Applied Surface Science
Record number
1009761
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