Effect of Loading on the Adhesion and Frictional Characteristics of Top Layer Articular Cartilage Nanoscale Contact: A Molecular Dynamics Study.

Articular cartilage is a water-lubricated naturally occurring biological interface imparting unique mechanical and ultralow frictional properties in bone joints. Although the material of cartilage, synovial fluid composition, and their lubricating modes and properties have been extensively investigated at various scales experimentally, there is still a lack of understanding of load bearing, adhesion, and friction mechanisms of the cartilage-cartilage interface from an atomistic perspective under heavy loads. In this study, the effect of loading on adhesion and frictional behavior in articular cartilage is investigated with a proposed atomistic model for top layer cartilage-cartilage contact in unhydrated conditions using molecular dynamics (MD) simulations. Pull-off tests reveal that cohesive interactions occur at the interface due to formation of heavily interpenetrated atomistic sites leading to stretching and localized pulling of fragments during sliding. Sliding tests show that friction is load- and direction-dependent with the coefficient of friction (COF) obtained in the range of 0.20-0.75 at the interface for sliding in parallel and perpendicular directions to the collagen axis. These values are in good agreement with earlier nanoscale experimental results reported for the top layer cartilage-cartilage interface. The COF reduces with an increase in load and tends to be higher for the parallel sliding case than for the perpendicular case owing to the presence of the constant number of H-bonds. Overall, this work contributes toward understanding sliding in unhydrated biointerfaces, which is the precursor of wear, and provides insights into implant research.

Identifying the mechanisms of polymer friction through molecular dynamics simulation.

Mechanisms governing the tribological behavior of polymer-on-polymer sliding were investigated by molecular dynamics simulations. Three main mechanisms governing frictional behavior were identified. Interfacial "brushing" of molecular chain ends over one another was observed as the key contribution to frictional forces. With an increase of the sliding speed, fluctuations in frictional forces reduced in both magnitude and periodicity, leading to dynamic frictional behavior. While "brushing" remained prevalent, two additional irreversible mechanisms, "combing" and "chain scission", of molecular chains were observed when the interfaces were significantly diffused.

Friction measurement on free standing plates using atomic force microscopy.

A method is introduced to measure friction on small, free standing objects, specifically microfabricated silicon plates, based on atomic force microscopy (AFM). An AFM tip is brought into contact with the plate resting on a substrate. The substrate is displaced laterally and, provided the AFM tip does not slide over the plate, the twisting of the AFM cantilever is used to measure the friction of the underlying plate-substrate interface. The method can measure nano-Newton to micro-Newton forces (both friction and applied load) and provides a means to measure friction of macroscopic structures at low load.

Tribology and hydrophobicity of a biocompatible GPTMS/PFPE coating on Ti6Al4V surfaces.

Tribological properties of perfluoropolyether (PFPE) coated 3-glycidoxypropyltrimethoxy silane (GPTMS) SAMs (self-assembled monolayers) onto Ti6Al4V alloy substrate were studied using ball-on-disk experiments. GPTMS SAMs deposition onto a Ti6Al4V alloy surface was carried out using solution phase method. Ultra-thin layer of PFPE was dip-coated onto SAMs modified specimens. Tribological tests were carried out at 0.2 N normal load and rotational speed of 200 rpm using track radius of 2 mm. Wear track and counterface surface conditions were investigated using optical microscopy. PFPE modified specimens were baked at 150 °C for 1h to investigate the effect of thermal treatment on tribological properties. Surface characterization tests such as contact angle measurement, AFM morphology and X-ray photoelectron spectroscopy were carried out for differently modified specimens. PFPE overcoat meets the requirements of cytotoxicity test using the ISO 10993-5 elution method. PFPE top layer lowered the coefficient of friction and increased wear durability for different specimens (with and without GPTMS intermediate layer). PFPE overcoat onto GPTMS showed significant increase in the wear resistance compared with overcoat onto bare Ti6Al4V specimens. The observed improvement in the tribological properties can be attributed to the change in the interaction of PFPE molecules with the substrate surface due to the GPTMS intermediate layer.

Tribological characterization of a biocompatible thin film of UHMWPE on Ti6Al4V and the effects of PFPE as top lubricating layer.

Ultra-high molecular weight polyethylene (UHMWPE) thin film was coated onto Ti6Al4V alloy specimens using dip coating method. Tribological performance of this coating (thickness of 19.6 ± 2.0 µm) was evaluated using 4 mm diameter Si(3)N(4) ball counterface in a ball-on-disk tribometer. Tests were carried out for different normal loads (0.5, 1.0, 2.0 and 4.0 N) and rotational speeds of the disk (200 and 400 rpm). UHMWPE coating formed in this study exhibits high hydrophobicity with water contact angle of 135.5 ± 3.3° and meets the requirements of cytotoxicity test using the ISO 10993-5 elution method. This coating shows low coefficient of friction (0.15) and high wear durability (>96,000 cycles) for the tested conditions. PFPE overcoat on UHMWPE has further increased the wear durability of UHMWPE coating as evaluated at even higher rotational speed of 1000 rpm.

Tribological properties of nanoparticle-laden ultrathin films formed by covalent molecular assembly.

The tribological properties of ultrathin films containing nanoparticles encapsulated in immobilized dendrimers are investigated. The films were formed by covalent molecular assembly in supercritical carbon dioxide, and the Au nanoparticles were formed in aqueous solution. End-capping of the terminal amine groups of the dendrimer by fluorinated species resulted in a reduction in the size of the nanoparticles formed. The resulting film structure displayed a lower coefficient of friction when the nanoparticles were formed after fluorination. The observed improvement in the tribological properties is attributed to the reduction in agglomeration of the nanoparticles due to the presence of the fluorine moieties.