Using molecular dynamics, we simulate the abrasion process of an atomically rough Fe surface with multiple hard abrasive particles. By quantifying the nanoscopic wear depth in a time-resolved fashion, we show that Barwell's macroscopic wear law can be applied at the atomic scale. We find that in this multiasperity contact system, the Bowden-Tabor term, which describes the friction force as a function of the real nanoscopic contact area, can predict the kinetic friction even when wear is involved. From this the Derjaguin-Amontons-Coulomb friction law can be recovered, since we observe a linear dependence of the contact area on the applied load in accordance with Greenwood-Williamson contact mechanics.

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 FCC CuNi alloys subjected to sliding with molecular 1 Page 1 of 33 ACS Paragon Plus Environment ACS Applied Materials & Interfacesdynamics simulations featuring tens of millions of atoms. By analyzing the depth-and time-dependent evolution of the grain size, twinning, shear, and the 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.

We consider a nanomachining process of hard, abrasive particles grinding on the rough surface of a polycrystalline ferritic work piece. Using extensive largescale molecular dynamics (MD) simulations, we show that the mode of thermostatting, i.e., the way that the heat generated through deformation and friction is removed from the system, has crucial impact on tribological and materials related phenomena. By adopting an electron-phonon coupling approach to parametrize the thermostat of the system, thus including the electronic contribution to the thermal conductivity of iron, we can reproduce the experimentally measured values that yield realistic temperature gradients in the work piece. We compare these results to those obtained by assuming the two extreme cases of only phononic heat conduction and instantaneous removal of the heat generated in the machining interface. Our discussion of the differences between these three cases reveals that although the average shear stress is virtually temperature independent up to a normal pressure of approximately 1 GPa, the grain and chip morphology as well as most relevant quantities depend heavily on the mode of thermostatting beyond a normal pressure of 0.4 GPa. These pronounced differences can be explained by the thermally activated processes that guide the reaction of the Fe lattice to the external mechanical and thermal loads caused by nanomachining.

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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.

Purpose-This paper aims to investigate the wear behaviour of different materials for cylinder liners and piston rings in a linear reciprocating tribometer with special focus on the wear of the cylinder liner in the boundary lubrication regime. Design/methodology/approach-Conventional nitrided steel, as well as diamond-like carbon and chromium nitride-coated piston rings, were tested against cast iron, AlSi and Fe-coated AlSi cylinder liners. The experiments were carried out with samples produced from original engine parts to have the original surface topography available. Radioactive tracer isotopes were used to measure cylinder liner wear continuously, enabling separation of running-in and steady-state wear. Findings-A ranking of the material pairings with respect to wear behaviour of the cylinder liner was found. Post-test inspection of the cylinder samples by scanning electron microscopy (SEM) revealed differences in the wear mechanisms for the different material combinations. The results show that the running-in and steady-state wear of the liners can be reduced by choosing the appropriate material for the piston ring. Originality/value-The use of original engine parts in a closely controlled tribometer environment under realistic loading conditions, in conjunction with continuous and highly sensitive wear measurement methods and a detailed SEM analysis of the wear mechanisms, forms an intermediate step between engine testing and laboratory environment testing.