Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum
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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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SpringerOpen
2017-03-01
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| Series: | Friction |
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| Online Access: | http://link.springer.com/article/10.1007/s40544-016-0128-4 |
| _version_ | 1818693015479255040 |
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| author | Jingyan Nian Liwei Chen Zhiguang Guo Weimin Liu |
| author_facet | Jingyan Nian Liwei Chen Zhiguang Guo Weimin Liu |
| author_sort | Jingyan Nian |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-17T13:06:58Z |
| format | Article |
| id | doaj.art-488ef7520f154fc487a11bc4ec5cbd2d |
| institution | Directory Open Access Journal |
| issn | 2223-7690 2223-7704 |
| language | English |
| last_indexed | 2024-12-17T13:06:58Z |
| publishDate | 2017-03-01 |
| publisher | SpringerOpen |
| record_format | Article |
| series | Friction |
| spelling | doaj.art-488ef7520f154fc487a11bc4ec5cbd2d2022-12-21T21:47:13ZengSpringerOpenFriction2223-76902223-77042017-03-0151233110.1007/s40544-016-0128-4Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuumJingyan Nian0Liwei Chen1Zhiguang Guo2Weimin Liu3State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of SciencesHubei Collaborative Innovation Centre for Advanced Organic Chemical Materials and Ministry of Education Key Laboratory for the Green Preparation and Application of Functional Materials, Hubei UniversityState Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of SciencesState Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of SciencesAbstract 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.http://link.springer.com/article/10.1007/s40544-016-0128-4solid lubricantsuperlubricityfirst-principlesmolecular dynamicsdisulfidesdioxides |
| spellingShingle | Jingyan Nian Liwei Chen Zhiguang Guo Weimin Liu Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum Friction solid lubricant superlubricity first-principles molecular dynamics disulfides dioxides |
| title | Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum |
| title_full | Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum |
| title_fullStr | Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum |
| title_full_unstemmed | Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum |
| title_short | Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum |
| title_sort | computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum |
| topic | solid lubricant superlubricity first-principles molecular dynamics disulfides dioxides |
| url | http://link.springer.com/article/10.1007/s40544-016-0128-4 |
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