TY - JOUR A1 - Österle, Werner A1 - Nikonov, A. Y. A1 - Dmitriev, A. I. ED - Krzanowski, J. T1 - MD sliding simulations of amorphous tribofilms consisting of either SiO2 or carbon JF - Lubricants N2 - The sliding behaviors of two simplified tribofilms with amorphous structure consisting either of SiO₂ molecules or C atoms were simulated by molecular dynamics modeling. The objective was to identify mechanisms explaining the experimentally observed lubricating properties of the two amorphous films. The impacts of layer thickness, normal pressure, temperature and different substrate materials were studied systematically, while the sliding velocity was kept constant at 30 m/s. While the layer thickness was not critical, all the other parameters showed special effects under certain conditions. Normal pressure impeded void formation and could even eliminate voids if applied at high temperature. Stick-slip sliding was changed to smooth sliding at high temperature due to void healing. Considering the carbon film, high friction forces and shearing of the entire film was observed with diamond substrates, whereas interface sliding at low friction forces and an amorphous layer of iron mixed with carbon was observed if the supporting substrates consisted of α-Fe. Both films show a decrease of friction forces and smooth sliding behavior at elevated temperature, corresponding well to the tribological behavior of and advanced nanocomposite sliding against a steel disc under severe stressing conditions when high flash temperatures can be expected. KW - dry friction KW - amorphous silica film KW - amorphous carbon film KW - sliding simulation KW - molecular dynamics PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-379367 DO - https://doi.org/10.3390/lubricants4030024 VL - 4 IS - 24 PB - MDPI CY - Basel, Switzerland AN - OPUS4-37936 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dmitriev, A. I. A1 - Österle, Werner A1 - Kloß, Heinz A1 - Orts-Gil, Guillermo T1 - A study of third body behaviour under dry sliding conditions. Comparison of nanoscale modelling with experiment JF - Estonian Journal of Engineering N2 - Automotive brake pads consist of many components but it is still not entirely clear which role each of the elements of this complex composition plays to provide the specified regimes of sliding. This is due to the mutual interaction of multiscale mechanisms, realized during the friction. In this work we have attempted to partly answer this question using computer simulations. Since the simulation allows us to consider various combinations of the structure of the system being simulated ceteris paribus, it becomes possible to understand the role of each constituent sequentially. The main attention is paid to the structure and composition of the thin film that forms on the surface of both bodies as a result of compaction of the wear product, its chemical composition and oxidation. This layer, also named a third body or friction film, differs in composition and microstructure from the two first bodies. We considered a single contact for the steady state sliding when the structure and composition of friction films already are formed. As a modelling tool we used the method of movable cellular automata, which has well proven itself in solving of such tasks. We investigated the influence of modification of the structure and composition of the third body on the features of system behaviour at friction. To assess the adequacy of the numerical model, experimental studies with an artificial third body were also carried out. The Simulation results are in good agreement with experimental data. KW - Third body KW - Dry sliding KW - Mechanically mixed layer KW - Computer simulation PY - 2012 DO - https://doi.org/10.3176/eng.2012.3.12 SN - 1736-6038 SN - 1736-7522 VL - 18 IS - 3 SP - 270 EP - 278 AN - OPUS4-38545 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dmitriev, A. I. A1 - Österle, Werner T1 - Modelling the sliding behaviour of tribofilms forming during automotive braking: impact of loading parameters and property range of constituents JF - Tribology Letters N2 - The impact of pressure, sliding velocity and property variation of constituents on the sliding behaviour of a model tribofilm was studied with the method of movable cellular automata (MCA). Whereas a clear pressure dependency of the coefficient of friction (COF) was always observed and could be correlated with the structure formation in terms of varying thickness of a mechanically mixed layer, the impact of the other parameters was either negligible or rather weak. Only if a brittle-to-ductile Transition of the oxide-based tribofilm was assumed, a significant decrease in the COF level was predicted. Temperature-dependent property changes can be neglected during MCA modelling, unless this transition takes place. For magnetite-based tribofilms, the transition temperature is beyond 800 °C, i.e. a temperature leading to fading effects during braking anyway. Thus, it could be concluded that, except for very severe braking conditions, sliding simulations with the MCA method yield meaningful results without considering temperature-dependent mechanical properties. KW - Tribofilm KW - Sliding behaviour KW - Friction KW - Movable cellular automata KW - Mechanically mixed layer PY - 2014 DO - https://doi.org/10.1007/s11249-013-0274-z SN - 1023-8883 SN - 1573-2711 VL - 53 IS - 1 SP - 337 EP - 351 PB - Springer AN - OPUS4-38548 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dmitriev, A. I. A1 - Österle, Werner ED - Österle, Werner ED - Zhang, G. T1 - The role of solid lubricants for brake friction materials JF - Lubricants special issue "tribofilms and solid lubrication" N2 - This review article comprises of three parts. Firstly, reports of brake manufacturers on the beneficial impact of solid lubricants for pad formulations are surveyed. Secondly, since tribofilms were identified to play a crucial role in friction stabilization and wear reduction, the knowledge about tribofilm structures formed during automotive braking was reviewed comprehensively. Finally, a model for simulating the sliding behavior of tribofilms is suggested and a review on modelling efforts with different model structures related to real tribofilms will be presented. Although the variety of friction composites involved in commercial brake systems is very broad, striking similarities were observed in respect to tribofilm nanostructures. Thus a generalization of the tribofilm nanostructure is suggested and prerequisites for smooth sliding performance and minimal wear rates have been identified. A minimum of 13 vol.% of soft inclusions embedded in an iron oxide based tribofilm is crucial for obtaining the desired properties. As long as the solid lubricants or their reaction products are softer than magnetite, the main constituent of the tribofilm, the model predicts smooth sliding and a minimum of wear. KW - Solid lubricant KW - Friction KW - Automotive braking KW - Tribofilm KW - Sliding simulation KW - MCA-modeling PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-355973 UR - www.mdpi.com/journal/lubricants DO - https://doi.org/10.3390/lubricants4010005 SN - 2075-4442 VL - 4 IS - 1 SP - 5 EP - 26 PB - MDPI CY - Basel, Switzerland AN - OPUS4-35597 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dmitriev, A. I. A1 - Nikonov, A. Y. A1 - Österle, Werner T1 - Molecular dynamics modeling of the sliding performance of an amorphous silica nano-layer - The impact of chosen interatomic potentials JF - Lubricants N2 - The sliding behavior of an amorphous silica sample between two rigid surfaces is in the focus of the present paper. Molecular Dynamics using a classical Tersoff’s potential and a recently developed ReaxFF potential was applied for simulating sliding within a thin film corresponding to a tribofilm formed from silica nanoparticles. The simulations were performed at different temperatures corresponding to moderate and severe tribological stressing conditions. Simulations with both potentials revealed the need of considering different temperatures in order to obtain a sound interpretation of experimental findings. The results show the striking differences between the two potentials not only in terms of magnitude of the resistance stress (about one order of magnitude) but also in terms of friction mechanisms. The expected smooth sliding regime under high temperature conditions was predicted by both simulations, although with Tersoff’s potential smooth sliding was obtained only at the highest temperature. On the other hand, at room temperature Tersoff-style calculations demonstrate stick-slip behavior, which corresponds qualitatively with our experimental findings. Nevertheless, comparison with a macroscopic coefficient of friction is not possible because simulated resistance stresses do not depend on the applied normal pressure. KW - Molecular dynamics KW - Thin tribofilm KW - Resistance stress KW - Sliding simulation KW - Amorphous silica PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-449366 DO - https://doi.org/10.3390/lubricants6020043 SN - 2075-4442 VL - 6 IS - 2 SP - 43, 1 EP - 11 PB - MDPI CY - Basel AN - OPUS4-44936 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -