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Friction 2023, 11(12): 2342-2366 https://doi.org/10.1007/s40544-023-0745-y
Research Article | Open Access | Issue | Published: 12 July 2023

Molecular dynamics simulation of the Stribeck curve: Boundary lubrication, mixed lubrication, and hydrodynamic lubrication on the atomistic level

Show Author's Information Simon STEPHAN1( ),  Sebastian SCHMITT1,  Hans HASSE1,  Herbert M. URBASSEK2
Laboratory of Engineering Thermodynamics (LTD), Department of Mechanical and Process Engieering, TU Kaiserslautern, Rheinland-Pfalz 67663, Germany
Physics Department and Research Center (OPTIMAS), TU Kaiserslautern, Rheinland-Pfalz 67663, Germany
Keywords:
molecular dynamics simulation, boundary lubrication, tribofilm, mixed lubrication, hydrodynamic lubrication
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STEPHAN S, SCHMITT S, HASSE H, et al. Molecular dynamics simulation of the Stribeck curve: Boundary lubrication, mixed lubrication, and hydrodynamic lubrication on the atomistic level. Friction, 2023, 11(12): 2342-2366. https://doi.org/10.1007/s40544-023-0745-y
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Abstract Full text Electronic supplementary material About this article

Lubricated contact processes are studied using classical molecular dynamics simulations for determining the entire range of the Stribeck curve. Therefore, the lateral movement of two solid bodies at different gap height are studied. In each simulation, a rigid asperity is moved at constant height above a flat iron surface in a lubricating fluid. Both methane and decane are considered as lubricants. The three main lubrication regimes of the Stribeck curve and their transition regions are covered by the study: Boundary lubrication (significant elastic and plastic deformation of the substrate), mixed lubrication (adsorbed fluid layer dominates the process), and hydrodynamic lubrication (shear flow is set up between the surface and the asperity). We find the formation of a tribofilm in which lubricant molecules are immersed into the metal surface—not only in the case of scratching, but also for boundary lubrication and mixed lubrication. The formation of a tribofilm is found to have important consequences for the contact process. Moreover, the two fluids are found to show distinctly different behavior in the three lubrication regimes: For hydrodynamic lubrication (large gap height), decane yields a better tribological performance; for boundary lubrication (small gap height), decane shows a larger friction coefficient than methane, which is due to the different mechanisms observed for the formation of the tribofilm; the mixed lubrication regime can be considered as a transition regime between the two other regimes. Moreover, it is found that the nature of the tribofilm depends on the lubricant: While methane particles substitute substrate atoms sustaining mostly the crystalline structure, the decane molecules distort the substrate surface and an amorphous tribofilm is formed.


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About this article

Molecular dynamics simulation of the Stribeck curve: Boundary lubrication, mixed lubrication, and hydrodynamic lubrication on the atomistic level

Show Author's information Simon STEPHAN1( ), Sebastian SCHMITT1, Hans HASSE1, Herbert M. URBASSEK2
Laboratory of Engineering Thermodynamics (LTD), Department of Mechanical and Process Engieering, TU Kaiserslautern, Rheinland-Pfalz 67663, Germany
Physics Department and Research Center (OPTIMAS), TU Kaiserslautern, Rheinland-Pfalz 67663, Germany

Abstract

Lubricated contact processes are studied using classical molecular dynamics simulations for determining the entire range of the Stribeck curve. Therefore, the lateral movement of two solid bodies at different gap height are studied. In each simulation, a rigid asperity is moved at constant height above a flat iron surface in a lubricating fluid. Both methane and decane are considered as lubricants. The three main lubrication regimes of the Stribeck curve and their transition regions are covered by the study: Boundary lubrication (significant elastic and plastic deformation of the substrate), mixed lubrication (adsorbed fluid layer dominates the process), and hydrodynamic lubrication (shear flow is set up between the surface and the asperity). We find the formation of a tribofilm in which lubricant molecules are immersed into the metal surface—not only in the case of scratching, but also for boundary lubrication and mixed lubrication. The formation of a tribofilm is found to have important consequences for the contact process. Moreover, the two fluids are found to show distinctly different behavior in the three lubrication regimes: For hydrodynamic lubrication (large gap height), decane yields a better tribological performance; for boundary lubrication (small gap height), decane shows a larger friction coefficient than methane, which is due to the different mechanisms observed for the formation of the tribofilm; the mixed lubrication regime can be considered as a transition regime between the two other regimes. Moreover, it is found that the nature of the tribofilm depends on the lubricant: While methane particles substitute substrate atoms sustaining mostly the crystalline structure, the decane molecules distort the substrate surface and an amorphous tribofilm is formed.

Keywords: molecular dynamics simulation, boundary lubrication, tribofilm, mixed lubrication, hydrodynamic lubrication

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Received: 24 October 2022
Revised: 01 January 2023
Accepted: 01 February 2023
Published: 12 July 2023
Issue date: December 2023

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© The author(s) 2023.

Acknowledgements

The authors gratefully acknowledge financial support by the DFG within IRTG 2057 "Physical modelling for virtual manufacturing systems and processes" and CRC 926 "Microscale morphology of component surfaces", and by the KSB foundation. The simulations were carried out on the ELWE at the Regional University Computing Center Kaiserslautern (RHRK) under the grant RPTU-MTD. The present research was conducted under the auspices of the Boltzmann-Zuse Society of Computational Molecular Engineering (BZS).

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