Interface Amorphization Controls Maximum Wear Resistance of Multinanolayer DLC/WC Coatings.

Multilayer coatings offer significant advantages in protecting materials' surfaces by shielding the underlying materials hierarchically from damage and wear. The layering morphology and structure of multilayer coatings directly affect their wear resistance capacity. Using a systematic set of experiments and molecular dynamics (MD) simulations, we studied the effect of layering thickness on the macroscale wear response of DLC/WC multinanolayer coatings. Our study revealed the existence of a critical bilayer thickness where maximum scratch hardness and wear resistance can be achieved. Our large-scale MD simulations showed that reducing the WC layer thickness to a certain limit increases the scratch hardness due to the confinement of dislocation motion. However, when the thickness of the WC layers falls below 2 nm, the deformation mechanism transitions from the interface-induced dislocation confinement to the interface-mediated amorphization of WC layers, reducing the scratch hardness of the coating. This finding offers a procedure for optimizing the macroscale wear performance of multinanolayer coatings.

Cutting Depth Dictates the Transition from Continuous to Segmented Chip Formation.

The process of material cutting emerges from a series of nonlinear phenomena including frictional contact, plastic deformation, and fracture. While cutting dominated by shear deformation is of interest to achieve a smooth material removal and a high-quality surface finish, the fracture-induced chip breaking is of equal importance to prevent the formation of long chips. Here we show that discrepant observations and predictions of these two distinct cutting mechanisms can be reconciled into a unified framework. A simple analytical model is developed to predict the mechanism of chip formation in a homogeneous medium as a function of work piece intrinsic material properties, tool geometry, and the process parameters. The model reveals the existence of a critical depth of cut, below which the chip formation is gradually progressed by plastic deformation in the shear plane, and above which chips break off by abrupt crack propagation. The models' prediction is validated by systematic in situ orthogonal cutting experiments and literature data for a wide range of materials over multiple length scales.

Role of interfacial adhesion on minimum wear particle size and roughness evolution.

Adhesion between two bodies is a key parameter in wear processes. At the macroscale, strong adhesive bonds are known to lead to high wear rates, as observed in clean metal-on-metal contact. Reducing the strength of the interfacial adhesion is then desirable, and techniques such as lubrication and surface passivation are employed to this end. Still, little is known about the influence of adhesion on the microscopic processes of wear. In particular, the effects of interfacial adhesion on the wear particle size and on the surface roughness evolution are not clear and are therefore addressed here by means of molecular dynamics simulations. We show that, at short timescales, the surface morphology and not the interfacial adhesion strength dictates the minimum size of wear particles. However, at longer timescales, adhesion alters the particle motion and thus the wear rate and the surface morphology.

Emergence of self-affine surfaces during adhesive wear.

Friction and wear depend critically on surface roughness and its evolution with time. An accurate control of roughness is essential to the performance and durability of virtually all engineering applications. At geological scales, roughness along tectonic faults is intimately linked to stick-slip behaviour as experienced during earthquakes. While numerous experiments on natural, fractured, and frictional sliding surfaces have shown that roughness has self-affine fractal properties, much less is known about the mechanisms controlling the origins and the evolution of roughness. Here, by performing long-timescale molecular dynamics simulations and tracking the roughness evolution in time, we reveal that the emergence of self-affine surfaces is governed by the interplay between the ductile and brittle mechanisms of adhesive wear in three-body contact, and is independent of the initial state.

Asperity-Level Origins of Transition from Mild to Severe Wear.

Wear is the inevitable damage process of surfaces during sliding contact. According to the well-known Archard's wear law, the wear volume scales with the real contact area and as a result is proportional to the load. Decades of wear experiments, however, show that this relation only holds up to a certain load limit, above which the linearity is broken and a transition from mild to severe wear occurs. We investigate the microscopic origins of this breakdown and the corresponding wear transition at the asperity level. Our atomistic simulations reveal that the interaction between subsurface stress fields of neighboring contact spots promotes the transition from mild to severe wear. The results show that this interaction triggers the deep propagation of subsurface cracks and the eventual formation of large debris particles, with a size corresponding to the apparent contact area of neighboring contact spots. This observation explains the breakdown of the linear relation between the wear volume and the normal load in the severe wear regime. This new understanding highlights the critical importance of studying contact beyond the elastic limit and single-asperity models.

On the debris-level origins of adhesive wear.

Every contacting surface inevitably experiences wear. Predicting the exact amount of material loss due to wear relies on empirical data and cannot be obtained from any physical model. Here, we analyze and quantify wear at the most fundamental level, i.e., wear debris particles. Our simulations show that the asperity junction size dictates the debris volume, revealing the origins of the long-standing hypothesized correlation between the wear volume and the real contact area. No correlation, however, is found between the debris volume and the normal applied force at the debris level. Alternatively, we show that the junction size controls the tangential force and sliding distance such that their product, i.e., the tangential work, is always proportional to the debris volume, with a proportionality constant of 1 over the junction shear strength. This study provides an estimation of the debris volume without any empirical factor, resulting in a wear coefficient of unity at the debris level. Discrepant microscopic and macroscopic wear observations and models are then contextualized on the basis of this understanding. This finding offers a way to characterize the wear volume in atomistic simulations and atomic force microscope wear experiments. It also provides a fundamental basis for predicting the wear coefficient for sliding rough contacts, given the statistics of junction clusters sizes.

Critical length scale controls adhesive wear mechanisms.

The adhesive wear process remains one of the least understood areas of mechanics. While it has long been established that adhesive wear is a direct result of contacting surface asperities, an agreed upon understanding of how contacting asperities lead to wear debris particle has remained elusive. This has restricted adhesive wear prediction to empirical models with limited transferability. Here we show that discrepant observations and predictions of two distinct adhesive wear mechanisms can be reconciled into a unified framework. Using atomistic simulations with model interatomic potentials, we reveal a transition in the asperity wear mechanism when contact junctions fall below a critical length scale. A simple analytic model is formulated to predict the transition in both the simulation results and experiments. This new understanding may help expand use of computer modelling to explore adhesive wear processes and to advance physics-based wear laws without empirical coefficients.