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Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS2: A Molecular Dynamics Study

1
School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, China
2
Beijing Institute of Spacecraft System Engineering, Beijing 100094, China
*
Author to whom correspondence should be addressed.
Nanomaterials 2020, 10(2), 275; https://doi.org/10.3390/nano10020275
Received: 2 January 2020 / Revised: 2 February 2020 / Accepted: 3 February 2020 / Published: 6 February 2020
(This article belongs to the Special Issue 2D Materials and Their Heterostructures and Superlattices)
The effects of in-plane prestrain on the anti-pressure and anti-wear performance of monolayer MoS2 have been investigated by molecular dynamics simulation. The results show that monolayer MoS2 observably improves the load bearing capacity of Pt substrate. The friction reduction effect depends on the deformation degree of monolayer MoS2. The anti-pressure performance of monolayer MoS2 and Pt substrate is enhanced by around 55.02% when compressive prestrain increases by 4.03% and the anti-wear performance is notably improved as well. The improved capacities for resisting the in-plane tensile and out-of-plane compressive deformation are responsible for the outstanding lubrication mechanism of monolayer MoS2. This study provides guidelines for optimizing the anti-pressure and anti-wear performance of MoS2 and other two-dimension materials which are subjected to the in-plane prestrain. View Full-Text
Keywords: monolayer MoS2; compressive prestrain; anti-wear; molecular dynamics monolayer MoS2; compressive prestrain; anti-wear; molecular dynamics
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Kong, N.; Wei, B.; Zhuang, Y.; Zhang, J.; Li, H.; Wang, B. Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS2: A Molecular Dynamics Study. Nanomaterials 2020, 10, 275.

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