Langmuir · 2013 · 74 citations · 38 references
Boundary Lubricant TypeEngineeringMechanical EngineeringSoft MatterMolecular DynamicsNanotribologyMechanicsSliding WearRheologyMolecular Surface CoverageBiophysicsBoundary LubricantHydrodynamic LubricationPiston-ring LubricationTribological PropertyDerjaguin OffsetBiotribologyMicrofabricationSurface ScienceApplied PhysicsMechanics Of Materials
We performed molecular dynamics simulations of boundary-lubricated sliding, varying the boundary lubricant type, its molecular surface coverage, the substrate roughness, and the load. The resulting load versus friction behavior was then analyzed to study how changes in lubricant type, coverage, and roughness affect the extrapolated friction force at zero load, the so-called Derjaguin offset. A smooth-particle-based evaluation method by the authors, applied here for the first time to visualize the sliding interface between the two layers of boundary lubricant, allowed the definition and calculation of a dimensionless normalized sliding resistance area, which was then related to the Derjaguin offset. This relationship excellently reflects the molecular surface coverage, which determines the physical condition of the lubricant, and can differentiate between some lubricant-specific frictional properties.
38
Computer Simulation of Liquids
S. P, K. J · Journal of Molecular Liquids · 1988 · 15.8K citations
William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15K citations
Organic Molecules, Engineering, Conformational Energetics +13
Development of new interatomic potentials appropriate for crystalline and liquid iron
Mikhail I. Mendelev, Seungwu Han, David J. Srolovitz et al. · The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics · 2003 · 1.3K citations
Magnetic Properties, Engineering, Computational Chemistry +17