Work

Non-equilibrium Molecular Dynamics Study of the Tribological Behavior of Lubricated Amorphous Carbon

Year: 2026

Type: article

Abstract: Non-equilibrium molecular dynamics (NEMD) simulations were carried out to investigate the lubrication of two amorphous carbon surfaces by a confined fluid of n-hexadecane molecules. Interatomic interactions were described by the AIREBO-M potential. An external pressure of 1 GPa and shear rates in the range of $$10^9$$ 10 9 – $$10^{10}$$ 10 10 s $$^{-1}$$ - 1 were applied to the system. Subjected to this high shear rates, above the critical shear rate, the n-hexadecane fluid behaved as a non-Newtonian fluid. Slip-boundary behavior was not observed, but the system demonstrated shear localization. Due to stronger interactions at the solid–lubricant interface, where some n-hexadecane molecules were adsorbed, the corresponding sublayers of lubricant molecules moved with the same velocity of the sliding surfaces. Away from the interfaces, a linear velocity profile, consistent with Couette flow, developed towards the center of the fluid channel. The friction coefficients calculated from the mean shear stresses were in the ultra-low friction region, which is compatible with experimental data for similar tribosystems.

Source: Tribology Letters

DOI: 10.1007/s11249-026-02155-8

Authors: Rebeca Q. Stelle, Roberto Gomes de Aguiar Veiga, Marcio G. Di V. Cuppari

Institution: Universidade Federal do ABC

Language: English

Topic: Lubricants and Their Additives

Subfield: Mechanical Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,990

Funders: Universidade Federal do ABC, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior