A profound comprehension of friction and wear mechanisms is essential for the design and development of high-performance polymeric materials for tribological application. However, it is difficult to deeply investigate the polymer friction process in situ at the micro/mesoscopic scale by traditional research methods. In recent years, molecular dynamics (MD) simulation, as an emerging research method, has attracted more and more attention in the field of polymer tribology due to its ability to show the physicochemical evolution between the contact interfaces at the atomic scale. Herein, we review the applications of MD in recent studies of polymer tribology and their research focuses (e.g., tribological properties, distribution and conformation of polymer chains, interfacial interaction, frictional heat, and tribochemical reactions) across three perspectives: all-atom MD, reactive MD, and coarse-grained MD. Additionally, we summarize the current challenges encountered by MD simulation in polymer tribology research and present recommendations accordingly, aiming to provide several insights for researchers in related fields.

Micro-arc oxidation (MAO) coatings of aluminum alloy have great potential applications due to their high hardness and wear resistance. However, the micro-pores and defects formed in the discharge channels during the MAO process limit its application in the corrosion field. This study delves into the impact of h-BN nanoparticles into MAO coatings on their structure, corrosion resistance, phase composition, and tribological properties. The results show that the incorporation of h-BN particles reduces the porosity and surface roughness of the coating while enhancing its hardness and wear resistance. The best corrosion resistance is obtained at a concentration of 2 g/L h-BN. An analysis of worn surface morphology, corrosion resistance, and friction coefficient change was conducted to evaluate the performance of this coating. This method provides a new approach to enhance the surface hardness and wear resistance of aluminum alloys, which is significant for expanding the application of aluminum alloys in corrosion environments.

This paper investigates the effect of graphene oxide (GO) particles on the friction reduction and wear resistance of coatings on a Ti-6Al-4V alloy generated using the micro-arc oxidation (MAO) technique. Different concentrations of GO were added in aluminate–phosphate electrolyte. The composition of the MAO coatings was investigated using X-ray diffraction and the energy dispersive spectrum. Measurements of the coating’s thickness, hardness, and roughness have also been conducted. Ball-on-disk friction tests under dry conditions were carried out to reveal the tribological behavior of the MAO coating. The results showed that the coating consisted of Al₂TiO₅ and γ-Al₂O₃. The addition of GO greatly reduced the friction coefficient by 25%. The coating with 5 g/L of GO particles exhibited the lowest friction coefficient (reduced from 0.47 to 0.35). Moreover, the coating thickness become thicker (from 10 to 20 μm) with an increase in GO concentration from 0 to 10 g/L. The wear mechanism was revealed via worn surface analysis. This study provides a helpful way to improve the surface wear resistance of titanium alloys.