Se Nanopowder Conversion into Lubricious 2D Selenide Layers by Tribochemical Reactions.

Transition metal dichalcogenide (TMD) coatings have attracted enormous scientific and industrial interest due to their outstanding tribological behavior. The paradigmatic example is MoS2 , even though selenides and tellurides have demonstrated superior tribological properties. Here, an innovative in operando conversion of Se nanopowders into lubricious 2D selenides, by sprinkling them onto sliding metallic surfaces coated with Mo and W thin films, is described. Advanced material characterization confirms the tribochemical formation of a thin tribofilm containing selenides, reducing the coefficient of friction down to below 0.1 in ambient air, levels typically reached using fully formulated oils. Ab initio molecular dynamics simulations under tribological conditions reveal the atomistic mechanisms that result in the shear-induced synthesis of selenide monolayers from nanopowders. The use of Se nanopowder provides thermal stability and prevents outgassing in vacuum environments. Additionally, the high reactivity of the Se nanopowder with the transition metal coating in the conditions prevailing in the contact interface yields highly reproducible results, making it particularly suitable for the replenishment of sliding components with solid lubricants, avoiding the long-lasting problem of TMD-lubricity degradation caused by environmental molecules. The suggested straightforward approach demonstrates an unconventional and smart way to synthesize TMDs in operando and exploit their friction- and wear-reducing impact.

Friction Reduction by Dimple Type Textured Cylinder Liners-An Experimental Investigation.

Applying texture to a surface in a tribological interface will influence frictional performance, which has been investigated in several previous studies. However, since varying operating conditions heavily affect the frictional performance and optimum texture dimensions, more work in this field is required. There are few experimental studies concerning the influence of texture on friction especially under sliding lubricated conditions and even fewer at high sliding speeds. In this work, the effect of texture on frictional losses between the piston ring and cylinder liner is studied experimentally. The texture is of the dimple type, with a diameter and depth of 300 µm and 3 µm, respectively, applied to the cylinder liner surface. Experiments are performed with sliding speeds close to real piston sliding speeds. A clear reduction in frictional losses is observed with the textured cylinder liner. Moreover, qualitatively comparing the experimental results to a numerical model shows a good correlation.

Influence of the 6061 Aluminium Alloy Thermo-Viscoplastic Behaviour on the Load-Area Relation of a Contact.

The contact between solids in metal-forming operations often involves temperature-dependent viscoplasticity of the workpiece. In order to estimate the real contact area in such contexts, both the topography and the deformation behaviour should be taken into account. In this work, a deterministic approach is used to represent asperities in appropriately shaped quadratic surfaces. Such geometries are implemented in indentation finite element simulations, in which the indented material has thermo-viscoplastic properties. By creating a database of simulation data, investigations in terms of contact load and area for the specifically shaped asperities allow for an analysis on the influence of the material properties on the load-area relation of the contact. The temperature and viscoplasticity greatly define how much load is supported by a substrate due to an indenting asperity, but the description of the deformation behaviour at small values of strain and strain rate is also relevant. The pile-up and sink-in regions are very dependent on the thermo-viscoplastic conditions and material model, which consequently affect the real contact area calculation. The interplay between carried load and contact area of a full surface analysis indicates the role that different sized asperities play in the contact under different thermomechanical conditions.

Superior Wear-Resistance of Ti3C2Tx Multilayer Coatings.

Owing to MXenes' tunable mechanical properties induced by their structural and chemical diversity, MXenes are believed to compete with state-of-the-art 2D nanomaterials such as graphene regarding their tribological performance. Their nanolaminate structure offers weak interlayer interactions and an easy-to-shear ability to render them excellent candidates for solid lubrication. However, the acting friction and wear mechanisms are yet to be explored. To elucidate these mechanisms, 100-nm-thick homogeneous multilayer Ti3C2Tx coatings are deposited on technologically relevant stainless steel by electrospraying. Using ball-on-disk tribometry (Si3N4 counterbody) with acting contact pressures of about 300 MPa, their long-term friction and wear performance under dry conditions are studied. MXene-coated specimens demonstrate a 6-fold friction reduction and an ultralow wear rate (4 × 10-9 mm3 N-1 m-1) over 100 000 sliding cycles, outperforming state-of-the-art 2D nanomaterials by at least 200% regarding their wear life. High-resolution characterization verified the formation of a beneficial tribolayer consisting of thermally/mechanically degraded MXenes and amorphous/nanocrystalline iron oxides. The transfer of this tribolayer to the counterbody transforms the initial steel/Si3N4 contact to tribolayer/tribolayer contact with low shear resistance. MXene pileups at the wear track's reversal points continuously supply the tribological contact with fresh, lubricious nanosheets, thus enabling an ultra-wear-resistant and low-friction performance.

Effect of Temperature on the Deformation Behavior of Copper Nickel Alloys under Sliding.

The microstructural evolution in the near-surface regions of a dry sliding interface has considerable influence on its tribological behavior and is driven mainly by mechanical energy and heat. In this work, we use large-scale molecular dynamics simulations to study the effect of temperature on the deformation response of FCC CuNi alloys of several compositions under various normal pressures. The microstructural evolution below the surface, marked by mechanisms spanning grain refinement, grain coarsening, twinning, and shear layer formation, is discussed in depth. The observed results are complemented by a rigorous analysis of the dislocation activity near the sliding interface. Moreover, we define key quantities corresponding to deformation mechanisms and analyze the time-independent differences between 300 K and 600 K for all simulated compositions and normal pressures. Raising the Ni content or reducing the temperature increases the energy barrier to activate dislocation activity or promote plasticity overall, thus increasing the threshold stress required for the transition to the next deformation regime. Repeated distillation of our quantitative analysis and successive elimination of spatial and time dimensions from the data allows us to produce a 3D map of the dominating deformation mechanism regimes for CuNi alloys as a function of composition, normal pressure, and homologous temperature.

Unraveling and Mapping the Mechanisms for Near-Surface Microstructure Evolution in CuNi Alloys under Sliding.

The origin of friction and wear in polycrystalline materials is intimately connected with their microstructural response to interfacial stresses. Although many mechanisms that govern microstructure evolution in sliding contacts are generally understood, it is still a challenge to ascertain which mechanisms matter under what conditions, which limits the development of tailor-made microstructures for reducing friction and wear. Here, we shed light on the circumstances that promote plastic deformation and surface damage by studying several face-centered cubic CuNi alloys subjected to sliding with molecular dynamics simulations featuring tens of millions of atoms. By analyzing the depth- and time-dependent evolution of the grain size, twinning, shear, and stresses in the aggregate, we derive a deformation mechanism map for CuNi alloys. We verify the predictions of this map against focused ion beam images of the near-surface regions of CuNi alloys that were experimentally subjected to similar loading conditions. Our results may serve as a tool for finding optimum material compositions within a specified operating range.

Interfacial Microstructure Evolution Due to Strain Path Changes in Sliding Contacts.

We performed large-scale molecular dynamics (MD) simulations to study the transient softening stage that has been observed experimentally in sliding interfaces subject to strain path changes. The occurrence of this effect can be of crucial importance for the energy efficiency and wear resistance of systems that experience changes in the sliding direction, such as bearings or gears in wind parks, piston rings in combustion engines, or wheel-rail contacts for portal cranes. We therefore modeled the sliding of a rough counterbody against two polycrystalline substrates of face-centered cubic (fcc) copper and body-centered cubic (bcc) iron with initial near-surface grain sizes of 40 nm. The microstructural development of these substrates was monitored and quantified as a function of time, depth, and applied pressure during unidirectional sliding for 7 ns. The results were then compared to the case of sliding in one direction for 5 ns and reversing the sliding direction for an additional 2 ns. We observed the generation of partial dislocations, grain refinement, and rotation as well as twinning (for fcc) in the near-surface region. All microstructures were increasingly affected by these processes when maintaining the sliding direction but recovered to a great extent upon sliding reversal up to applied pressures of 0.4 GPa in the case of fcc Cu and 1.5 GPa for bcc Fe. We discuss the applicability and limits of our polycrystalline MD model for reproducing well-known bulk phenomena such as the Bauschinger effect in interfacial processes.

Synthesis of Hydroxyapatite Substrates: Bridging the Gap between Model Surfaces and Enamel.

Hydroxyapatite substrates are common biomaterials, yet samples of natural teeth do not meet the demands for well-defined, highly reproducible properties. Pellets of hydroxyapatite were produced via the field assisted sintering technology (FAST) as well as via pressureless sintering (PLS). The applied synthesis routes provide samples of very high density (95%-99% of the crystallographic density) and of very low surface roughness (lower than 1 nm when averaged per 1 µm2). The chemical composition of the raw material (commercial HAP powder) as well as the crystalline structure is maintained by the sintering processes. These specimens can therefore be considered as promising model surfaces for studies on the interactions of biomaterial with surfaces of biological relevance, as demonstrated for the adsorption of BSA proteins.