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 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 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-379367 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 - CONF A1 - Dmitriev, A.I. A1 - Nikonov, A.Y. A1 - Österle, Werner T1 - Multiscale modeling of low friction sliding behavior of a hybrid epoxy-matrix nanocomposite N2 - The method of movable cellular automata (MCA) and method of molecular dynamics (MD) were applied to simulate the friction and sliding behavior of model-tribofilms formed from a nanocomposite consisting of an epoxy matrix, 10 vol % micron-sized carbon fibers and 5 vol. % silica nanoparticles. Whereas MCA considered the tribofilm as an agglomerate of silica nanoparticles released from the composite and mixed with graphite particles, MD simulated the sliding behavior of an amorphous silica layer supported by stiff crystalline substrates on both sides. The MCA model provided reasonable quantitative results which corroborate experimental findings at moderate stressing conditions. The very low coefficient of friction observed experimentally under severe stressing conditions was not explained by this model. This could be attributed to the lack of mechanical data at the high temperature expected under these conditions. Although based on a simpler assumption of the tribofilm composition, MD-modelling could be easily applied to the expected high flash temperature and was able to predict friction reduction and smooth sliding under these conditions. T2 - 21st European Conference on Fracture ECF21 CY - Catania, Italy DA - 20.06.2016 KW - Silica nanoparticle KW - Hybrid composite KW - Tribofilm KW - Molecular dynamics KW - Movable cellular automata PY - 2016 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-379402 VL - 2 SP - 2347 EP - 2354 PB - Elsevier Ltd. AN - OPUS4-37940 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nikonov, A. Y.. A1 - Dmitriev, A. I. A1 - Österle, Werner T1 - Molecular dynamics study of slip mechanisms of nickel with amorphous-like Ni-P coating N2 - In the paper by using molecular dynamics method we investigate behavior of nickel-phosphorus compound in amorphous-like state under conditions of shear loading at the constant velocity. Samples with an amorphous layer of pure nickel and nickel-phosphorus compound were considered. The analysis showed that forces of shear resistance in the sample with an amorphous layer containing phosphorus in about 3 times less than the sample with a layer of pure nickel. Thus, it was shown that nickel-phosphorous coating in amorphous-like state may exhibit low friction properties, and, therefore, serve as the solid lubricant material. T2 - International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures CY - Tomsk, Russia DA - 19.09.2016 KW - Local structural transformations KW - Lattice PY - 2016 U6 - https://doi.org/10.1063/1.4966457 VL - 1783 SP - 020164-1 EP - 020164-4 AN - OPUS4-38932 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Österle, Werner A1 - Dörfel, Ilona A1 - Wollenschläger, Nicole A1 - Gradt, Thomas A1 - Wolter, Christian A1 - Reinstädt, Philipp A1 - Zeigmeister, U. A1 - Dmitriev, A. I. A1 - Nikonov, A. Y. T1 - Potential of different nickel coatings for optimizing the sliding behavior of electrical connectors N2 - The potential of several nickel coatings was investigated by reciprocating sliding tests against copper thus simulating the plug-socket system of an electrical connector. KW - Electrical connectors KW - Electro-plated nickel coatings KW - Electroless Ni-P KW - Cold-welding KW - Tribooxidation PY - 2018 U6 - https://doi.org/10.1016/j.triboint.2018.01.006 SN - 0301-679X SN - 1879-2464 VL - 120 SP - 491 EP - 501 PB - Elsevier Ltd. AN - OPUS4-44468 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 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 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-449366 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 -