Synergistic lubrication effect of Al2O3 and MoS2 nanoparticles confined between iron surfaces: a molecular dynamics study

Nonequilibrium molecular dynamics (NEMD) simulations were performed to investigate the tribology behaviors of Al 2 O 3 and MoS 2 nanoparticles confined between iron (Fe) slabs. Results indicated that the combined use of these two nanoparticles yielded the lowest and most stable friction force, norma...

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Bibliographic Details
Published in:Journal of materials science 2021-05, Vol.56 (15), p.9227-9241
Main Authors: He, Jiaqi, Sun, Jianlin, Meng, Yanan, Pei, Yu, Wu, Ping
Format: Article
Language:English
Subjects:
Aluminum oxide
Characterization and Evaluation of Materials
Chemistry and Materials Science
Classical Mechanics
Computation & Theory
Crystallography and Scattering Methods
Diffusion
Friction
Interlayers
Iron
Lubrication
Materials Science
Metal surfaces
Molecular dynamics
Molybdenum disulfide
Monolayers
Nanoparticles
Polymer Sciences
Sliding
Solid Mechanics
Tribology
Wear rate
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Summary:Nonequilibrium molecular dynamics (NEMD) simulations were performed to investigate the tribology behaviors of Al 2 O 3 and MoS 2 nanoparticles confined between iron (Fe) slabs. Results indicated that the combined use of these two nanoparticles yielded the lowest and most stable friction force, normal force, interface temperature and wear rate, which exhibited a significant synergistic lubrication effect. A novel parameter the rolling/sliding motion coefficient ( K rs ) was proposed to evaluate the motion pattern of spherical Al 2 O 3 . There were 51% rolling + 49% sliding motion when used alone and 91% rolling + 9% sliding in the existence of MoS 2 . Similarly, about 72.3% of the friction was shared by interlayer sliding of MoS 2 monolayers in the presence of Al 2 O 3 , which was higher than used alone (54.8%). Then, the diffusion of atoms at the friction interface was explored to reveal the synergistic lubrication mechanism. The tribofilm formed by the diffusion of Fe and S atoms could protect the metal surfaces from further wear. The adsorption of S atoms to Al 2 O 3 nanoparticle could promote its rolling effect and prevent it from embedding into iron matrix. Besides, Al 2 O 3 could also facilitate the separation of MoS 2 monolayers to enhance their interlayer sliding effect.
ISSN:0022-2461
1573-4803
DOI:10.1007/s10853-021-05889-z