Tribological Behavior of Grafted Nanoparticle on Polymer-Brushed Walls: A Dissipative Particle Dynamics Study

Two contacting surfaces grafted with polymer brushes have potential applications due to their extraordinary lubricating behavior. However, the polymer brushes may have poor mechanical stability under high normal and shear stresses, which is a challenge for practical usage of polymer brush systems. In this study, we propose the use of grafted nanoparticles as nanobearings on polymer-brush-coated surfaces to alleviate the harsh working conditions of polymer brushes and to improve their mechanical stability. We have performed dissipative particle dynamics (DPD) simulations to investigate the tribological interaction between grafted nanoparticle and parallel walls with noncharged polymer brushes in the presence of explicit solvent. The influences of several parameters (solvent quality, brush miscibility, etc.) on the tribological behavior of the system are investigated. The grafted nanoparticle obviously acts as a nanobearing that partially replaces the sliding contact between two brushed walls with rolling contact between the grafted nanoparticle and two brushed walls and reduces the number of DPD particles withstanding high force. Although the introduction of the grafted nanoparticle into polymer-brushed walls increases the friction coefficient by 20-30%, it does not greatly decrease lubrication of the brushed walls, while still helping in stabilizing the system of polymer brushes to be used with liquids with low viscosity, such as water. The DPD simulation results and analysis performed in this study would be beneficial in designing systems with polymer-brushed surfaces and grafted nanoparticles.