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

doi:10.1016/j.apsusc.2008.01.123

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

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71 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 language	English
Pages (from-to)	7618-7621
Number of pages	4
Journal	Applied Surface Science
Volume	254
Issue number	23
DOIs	https://doi.org/10.1016/j.apsusc.2008.01.123
Publication status	Published - 2008 Sept 30

Keywords

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

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10.1016/j.apsusc.2008.01.123

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Morita, Y., Onodera, T., Suzuki, A., Sahnoun, R., Koyama, M., Tsuboi, H., Hatakeyama, N., Endou, A., Takaba, H., Kubo, M., Del Carpio, C. A., Shin-yoshi, T., Nishino, N., Suzuki, A., & Miyamoto, A. (2008). Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS ₂ tribofilm Applied Surface Science, 254(23), 7618-7621. https://doi.org/10.1016/j.apsusc.2008.01.123

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

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.",

keywords = "Chemical reaction, Formation dynamics, MoS tribofilm, New molecular dynamics method, Super-low friction",

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

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Morita, Y, Onodera, T, Suzuki, A, Sahnoun, R, Koyama, M, Tsuboi, H, Hatakeyama, N, Endou, A, Takaba, H, Kubo, M, Del Carpio, CA, Shin-yoshi, T, Nishino, N, Suzuki, A & Miyamoto, A 2008, ' Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS ₂ tribofilm ', Applied Surface Science, vol. 254, no. 23, pp. 7618-7621. https://doi.org/10.1016/j.apsusc.2008.01.123

Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS ₂ tribofilm . / Morita, Yusuke; Onodera, Tasuku; Suzuki, Ai et al.
In: Applied Surface Science, Vol. 254, No. 23, 30.09.2008, p. 7618-7621.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS 2 tribofilm

AU - Morita, Yusuke

AU - Onodera, Tasuku

AU - Suzuki, Ai

AU - Sahnoun, Riadh

AU - Koyama, Michihisa

AU - Tsuboi, Hideyuki

AU - Hatakeyama, Nozomu

AU - Endou, Akira

AU - Takaba, Hiromitsu

AU - Kubo, Momoji

AU - Del Carpio, Carlos A.

AU - Shin-yoshi, Takatoshi

AU - Nishino, Noriaki

AU - Suzuki, Atsushi

AU - Miyamoto, Akira

PY - 2008/9/30

Y1 - 2008/9/30

N2 - 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.

AB - 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.

KW - Chemical reaction

KW - Formation dynamics

KW - MoS tribofilm

KW - New molecular dynamics method

KW - Super-low friction

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JO - Applied Surface Science

JF - Applied Surface Science

IS - 23

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Morita Y, Onodera T, Suzuki A, Sahnoun R, Koyama M, Tsuboi H et al. Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS ₂ tribofilm Applied Surface Science. 2008 Sept 30;254(23):7618-7621. doi: 10.1016/j.apsusc.2008.01.123

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

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