Superlubricity achieved for commensurate sliding; MoS2 frictional anisotropy in silico
Superlubricity achieved for commensurate sliding; MoS2 frictional anisotropy in silico
In the past decades, MoS2 has received substantial attention from the tribology community due to its excellent frictional properties. However, a fundamental understanding of the mechanisms determining friction at the nanoscale is yet to be achieved. The general consensus is that one of the ingredients required for obtaining the superlubric regime when sliding layers of MoS 2 atop each other is incommensurability. Herein, we report on a molecular dynamics study focused on studying the effects of the sliding direction on the frictional properties of commensurate MoS2 . It is found that different types of dynamics are obtained with different sliding directions, with the stick-slip dynamics characterized by a highly dissipative behavior. Also, it is found that there is a relation linking the mismatch angle between the driving force and the actual trajectory and the load-dependence of the frictional force. We show, for the first time with a computational study, that incommensurability is not required for achieving the superlubric behavior of MoS2 .
Frictional anisotropy, Molecular dynamics simulations, Molybdenum disulfide, Superlubricity, Tribology
17-23
Claerbout, Victor E.P.
a4f7382e-cb6f-483d-9378-073307b7fe23
Polcar, Tomas
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
Nicolini, Paolo
80726840-4adf-44ea-a1dd-a77f9cb1e72d
1 June 2019
Claerbout, Victor E.P.
a4f7382e-cb6f-483d-9378-073307b7fe23
Polcar, Tomas
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
Nicolini, Paolo
80726840-4adf-44ea-a1dd-a77f9cb1e72d
Claerbout, Victor E.P., Polcar, Tomas and Nicolini, Paolo
(2019)
Superlubricity achieved for commensurate sliding; MoS2 frictional anisotropy in silico.
Computational Materials Science, 163, .
(doi:10.1016/j.commatsci.2019.03.019).
Abstract
In the past decades, MoS2 has received substantial attention from the tribology community due to its excellent frictional properties. However, a fundamental understanding of the mechanisms determining friction at the nanoscale is yet to be achieved. The general consensus is that one of the ingredients required for obtaining the superlubric regime when sliding layers of MoS 2 atop each other is incommensurability. Herein, we report on a molecular dynamics study focused on studying the effects of the sliding direction on the frictional properties of commensurate MoS2 . It is found that different types of dynamics are obtained with different sliding directions, with the stick-slip dynamics characterized by a highly dissipative behavior. Also, it is found that there is a relation linking the mismatch angle between the driving force and the actual trajectory and the load-dependence of the frictional force. We show, for the first time with a computational study, that incommensurability is not required for achieving the superlubric behavior of MoS2 .
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Published date: 1 June 2019
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Funding Information:
The authors are grateful to H.S. Sen and B.J. Irving (Czech Technical University in Prague, Czech Republic) for their valuable time and fruitful discussions. This work was supported by The Ministry of Education, Youth and Sports from the Large Infrastructures for Research, Experimental Development and Innovations project “IT4Innovations National Supercomputing Center – LM2015070”. The publication has received funding from the European Union’s Horizon2020 research and innovation program under grant agreement No. 721642: SOLUTION. P.N. acknowledges the support of the Czech Science Foundation through the project 16-11516Y. T.P. acknowledges the support from the project Novel nanostructures for engineering applications No. CZ.02.1.01/0.0/0.0/16_026/0008396.
Publisher Copyright:
© 2019 Elsevier B.V.
Copyright:
Copyright 2019 Elsevier B.V., All rights reserved.
Keywords:
Frictional anisotropy, Molecular dynamics simulations, Molybdenum disulfide, Superlubricity, Tribology
Identifiers
Local EPrints ID: 456246
URI: http://eprints.soton.ac.uk/id/eprint/456246
ISSN: 0927-0256
PURE UUID: ef6bb0fa-f690-4061-8f2d-8e497ca4e1fd
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Date deposited: 26 Apr 2022 21:32
Last modified: 18 Mar 2024 03:19
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Contributors
Author:
Victor E.P. Claerbout
Author:
Paolo Nicolini
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