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 T2 - Procedia Structural Integrity 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 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-379402 DO - https://doi.org/10.1016/j.prostr.2016.06.294 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 - Dmitriev, A. I. A1 - Österle, Werner T1 - Sliding simulation of automotive brake primary contact with variable amounts of copper and graphite nanoparticles T2 - ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES 2016 N2 - Copper is one of the most important components in brake pads and its amount can reach up to 14%. In spite of a number of positive features copper usage in brake pad formulations has recently become the subject of considerable discussions, primarily due to concerns about potential risks related to environmental impacts of copper particles. So, for developing new pad formulations with possible replacements of copper content, it is very important to understand the functionality of copper additions to brake friction materials. In the paper theoretical investigation of the role of copper as a pad ingredient was carried out on the basis of modelling by the method of movable cellular automata (MCA). In the study the concentration of copper particles in a Fe3O4-matrix was varied. The sliding simulations were performed while assuming material properties at 500 degrees C in order to assess the beneficial role of copper during severe braking conditions corresponding to fading cycles during dynamometer testing. T2 - International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures CY - Tomsk, Russia DA - 19.09.2016 KW - Polymer matrix composite KW - Silica nanoparticles KW - Friction KW - Wear PY - 2016 DO - https://doi.org/10.1063/1.4966337 VL - 1783 SP - 020044-1 EP - 020044-4 AN - OPUS4-38933 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 T2 - ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES 2016 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 DO - 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 - Dmitriev, A. I. A1 - Häusler, Ines A1 - Wetzel, B. A1 - Zhang, G. A1 - Österle, Werner T1 - Modeling of the stress-strain behavior of an epoxy-based nanocomposite filled with silica nanoparticles JF - Materials and Design N2 - The method of movable cellular automata (MCA) was applied to simulate the stress-strain behavior of a nano composite consisting of an epoxy matrix and 6 vol. % silica nano particles. The size of the elements used for modelling was fixed at 10 nm, corresponding approximately to the diameter of the filler particles. Since not only the stress-strain response of the two constituents but also debonding of neighboring particles and granular flow was taken into account, plastic deformation as well as crack initiation and propagation could be simulated with the model. Modelling results were compared with tensile test results of both, pure epoxy as well as the epoxy-6 vol. % SiO2 composite. Since assuming bulk properties of the two constituents did not yield satisfactory results, slight modifications of the nanoparticle response functions and nanostructures were tested numerically. Finally, it was observed that only the assumption of slightly increased strength properties of the epoxy yielded good correlation between experimental and modelling results. This was attributed to an increased cross linking of the epoxy caused by the presence of silica nano particles. KW - Nanocomposite KW - Polymer matrix composite KW - Stress-strain behavior KW - Modeling KW - Computational mechanics PY - 2016 DO - https://doi.org/http://dx.doi.org/10.1016/j.matdes.2015.10.038 SN - 0264-1275 VL - 89 SP - 950 EP - 956 PB - Elsevier AN - OPUS4-35596 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Österle, Werner A1 - Dmitriev, A. I. A1 - Wetzel, B. A1 - Zhang, G. A1 - Häusler, Ines A1 - Jim, B.C. T1 - The role of carbon fibers and silica nanoparticles on friction and wear reduction of an advanced polymer matrix composite JF - Materials and design N2 - Excellent tribological properties of an advanced polymer matrix composite were obtained by a combination of micro- and nano-sized fillers. Surface features and the nanostructure of tribofilms were characterized by advanced microscopic techniques, and correlated with the macroscopic behavior in terms of wear rate and friction evolution. A model based on movable cellular automata was applied for obtaining a better understanding of the sliding behavior of the nanostructured tribofilms. The failure of the conventional composite without silica nanoparticles could be attributed to severe oxidational wear after degradation of an initially formed polymer transfer film. The hybrid composite preserves its antiwear and antifriction properties because flash temperatures at micron-sized carbon fibers, lead to polymer degradation and subsequent release of nanoparticles. It has been shown that the released particles are mixed with other wear products and form stable films at the disc surface thus preventing further severe oxidational wear. Furthermore, the released wear product also is embedding carbon fibers at the composite surface thus preventing fiber fragmentation and subsequent third body abrasion. With nanoscale modelling we were able to show that low friction and wear can be expected if the nanostructured silica films contain at least 10 vol.% of a soft ingredient. KW - Carbon fibers KW - Silica nanoparticles KW - Hybrid composite KW - Tribological properties KW - Tribofilm KW - Sliding simulation PY - 2016 DO - https://doi.org/10.1016/j.matdes.2015.12.175 SN - 0264-1275 VL - 93 SP - 474 EP - 484 PB - Elsevier AN - OPUS4-35598 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -