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Friction 2017, 5(1): 23-31 https://doi.org/10.1007/s40544-016-0128-4
Research Article | Open Access | Issue | Published: 07 March 2017

Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum

Show Author's Information Jingyan NIAN1,  Liwei CHEN2,  Zhiguang GUO1,2( ),  Weimin LIU1
 State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China
 Hubei Collaborative Innovation Centre for Advanced Organic Chemical Materials and Ministry of Education Key Laboratory for the Green Preparation and Application of Functional Materials, Hubei University, Wuhan 430062, China
Keywords:
superlubricity, molecular dynamics, solid lubricant, first-principles, disulfides, dioxides
Cite this article:
NIAN J, CHEN L, GUO Z, et al. Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum. Friction, 2017, 5(1): 23-31. https://doi.org/10.1007/s40544-016-0128-4
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Abstract Full text About this article

Lamellar compounds such as the disulfides of molybdenum and tungsten are widely used as additives in lubricant oils or as solid lubricants in aerospace industries. The dioxides of these two transition metals have identical microstructures with those of the disulfides. The differences in the lubrication behaviors of disulfide and dioxides were investigated theoretically. Tungsten dioxide and molybdenum dioxide exhibit higher bond strengths at the interface and lower interlayer interactions than those of the disulfides which indicates their superlubricity. Furthermore, the topography of the electron density of the single layer nanostructure determined their sliding potential barrier; the dioxides showed a weaker electronic cloud distribution between the two neighboring oxygen atoms, which facilitated the oxygen atoms of the counterpart to go through. For commensurate friction, the dioxides exhibited nearly the same value of friction work, and same was the case for the disulfides. The lower positive value of friction work for the dioxides confirmed their improved lubricity than the disulfides and the higher mechanical strength of the bulk dioxides demonstrated that they are excellent solid lubricants in vacuum.


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Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum

Show Author's information Jingyan NIAN1, Liwei CHEN2, Zhiguang GUO1,2( ), Weimin LIU1
 State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China
 Hubei Collaborative Innovation Centre for Advanced Organic Chemical Materials and Ministry of Education Key Laboratory for the Green Preparation and Application of Functional Materials, Hubei University, Wuhan 430062, China

Abstract

Lamellar compounds such as the disulfides of molybdenum and tungsten are widely used as additives in lubricant oils or as solid lubricants in aerospace industries. The dioxides of these two transition metals have identical microstructures with those of the disulfides. The differences in the lubrication behaviors of disulfide and dioxides were investigated theoretically. Tungsten dioxide and molybdenum dioxide exhibit higher bond strengths at the interface and lower interlayer interactions than those of the disulfides which indicates their superlubricity. Furthermore, the topography of the electron density of the single layer nanostructure determined their sliding potential barrier; the dioxides showed a weaker electronic cloud distribution between the two neighboring oxygen atoms, which facilitated the oxygen atoms of the counterpart to go through. For commensurate friction, the dioxides exhibited nearly the same value of friction work, and same was the case for the disulfides. The lower positive value of friction work for the dioxides confirmed their improved lubricity than the disulfides and the higher mechanical strength of the bulk dioxides demonstrated that they are excellent solid lubricants in vacuum.

Keywords: superlubricity, molecular dynamics, solid lubricant, first-principles, disulfides, dioxides

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Publication history
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Publication history

Received: 18 September 2016
Revised: 02 November 2016
Accepted: 03 November 2016
Published: 07 March 2017
Issue date: March 2017

Copyright

© The author(s) 2016

Acknowledgements

This work is supported by the National Nature Science Foundation of China (Nos. 51522510 and 51675513), the “Top Hundred Talents” Program of Chinese Academy of Sciences and the National Key Basic Research and Development (973) Program of China (2013CB632300) for financial support.

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