The static friction preventing the free sliding of nanosized rare gas solid islands physisorbed on incommensurate crystalline surfaces is not completely understood. Simulations modeled on Kr/Pb(111) highlights the importance and the scaling behavior of the islands edge contribution to static friction.
The structure and motion of carbon and h-BN nanotubes (NTs) deposited on graphene is inquired theoretically by simulations based on state-of-the-art interatomic force fields. Results show that any typical cylinder-over-surface approximation is essent
ially inaccurate. NTs tend to flatten at the interface with the substrate and upon driving they can either roll or slide depending on their size and on their relative orientation with the substrate. In the epitaxially aligned orientation we find that rolling is always the main mechanism of motion, producing a kinetic friction linearly growing with the number of walls, in turn causing an unprecedented supra-linear scaling with the contact area. A 30 degrees misalignment raises superlubric effects, making sliding favorable against rolling. The resulting rolling-to-sliding transition in misaligned NTs is explained in terms of the faceting appearing in large multi-wall tubes, which is responsible for the increased rotational stiffness. Modifying the geometrical conditions provides an additional means of drastically tailoring the frictional properties in this unique tribological system.
The understanding of water transport in graphene oxide (GO) membranes stands out as a major theoretical problem in graphene research. Notwithstanding the intense efforts devoted to the subject in the recent years, a consolidated picture of water tran
sport in GO membranes is yet to emerge. By performing mesoscale simulations of water transport in ultrathin GO membranes, we show that even small amounts of oxygen functionalities can lead to a dramatic drop of the GO permeability, in line with experimental findings. The coexistence of bulk viscous dissipation and spatially extended molecular friction results in a major decrease of both slip and bulk flow, thereby suppressing the fast water transport regime observed in pristine graphene nanochannels. Inspection of the flow structure reveals an inverted curvature in the near-wall region, which connects smoothly with a parabolic profile in the bulk region. Such inverted curvature is a distinctive signature of the coexistence between single-particle Langevin friction and collective hydrodynamics. The present mesoscopic model with spatially extended friction may offer a computationally efficient tool for future simulations of water transport in nanomaterials.
Granular packings display the remarkable phenomenon of dilatancy [1], wherein their volume increases upon shear deformation. Conventional wisdom and previous results suggest that dilatancy, as also the related phenomenon of shear-induced jamming, req
uires frictional interactions [2, 3]. Here, we investigate the occurrence of dilatancy and shear jamming in frictionless packings. We show that the existence of isotropic jamming densities {phi}j above the minimal density, the J-point density {phi}J [4, 5], leads both to the emergence of shear-induced jamming and dilatancy. Packings at {phi}J form a significant threshold state into which systems evolve in the limit of vanishing pressure under constant pressure shear, irrespective of the initial jamming density {phi}j. While packings for different {phi}j display equivalent scaling properties under compression [6], they exhibit striking differences in rheological behaviour under shear. The yield stress under constant volume shear increases discontinuously with density when {phi}j > {phi}J, contrary to the continuous behavior in generic packings that jam at {phi}J [4, 7].
Tribological phenomena are governed by combined effects of material properties, topology and surface-chemistry. We study the interplay of multiscale surface structures with molecular-scale interactions towards interpreting static frictional interacti
ons at fractal interfaces. By spline-assisted-discretization we analyse asperity interactions in pairs of contacting fractal surface-profiles. For elastically deforming asperities, force analysis reveals greater friction at surfaces exhibiting higher fractality, with increasing molecular-scale friction amplifying this trend. Increasing adhesive strength yields higher overall friction at surfaces of lower fractality owing to greater true-contact-area. In systems where adhesive-type interactions play an important role, such as those where cold-welded junctions form, friction is minimised at an intermediate value of surface profile fractality found to be around 1.3 to 1.5. Results have implications for systems exhibiting evolving surface structures.
The dragging velocity of a model solid lubricant confined between sliding periodic substrates exhibits a phase transition between two regimes, respectively with quantized and with continuous lubricant center-of-mass velocity. The transition, occurrin
g for increasing external driving force F_ext acting on the lubricant, displays a large hysteresis, and has the features of depinning transitions in static friction, only taking place on the fly. Although different in nature, this phenomenon appears isomorphic to a static Aubry depinning transition in a Frenkel-Kontorova model, the role of particles now taken by the moving kinks of the lubricant-substrate interface. We suggest a possible realization in 2D optical lattice experiments.