Numerical study of pattern formation in compliant surfaces scraped by a rigid tip.

The emergence of surface patterns on the surfaces of compliant materials subject to plowing wear is a complex problem which can be quantitatively characterized, e.g., on polymer surfaces scraped by an atomic force microscope (AFM) tip. Here we explore the applicability of a phenomenological model recently introduced to describe this phenomenon. Based on the competition between the viscoplastic indentation and the elastic shear stress caused by the tip, the model is able to reproduce the wavy features (ripples) observed when the tip is scanned along a series of parallel lines. For low values of the driving velocity v and the spacing b between scan lines, the existence of dotted areas formed by variously oriented pit alignments is observed. Moreover, coexistence of rippled with dotted domains is also observed at suitable parameter values. The formation process of the ripples is also described in detail. The amplitude, period, and orientation of these features are estimated numerically for different values of v and b parameters. We have also revisited the formation of the wavy patterns formed when a single line is scanned, and derived an equation which correctly describes their period and depth, and the static friction as well. This equation is not applicable when several lines are scanned one after the other and the ripples emerge as result of a cooperative process which involves the scanning of several lines.

Thermal versus mechanical unfolding in a model protein.

Force spectroscopy techniques are often used to learn about the free energy landscape of single biomolecules, typically by recovering free energy quantities that, extrapolated to zero force, are compared to those measured in bulk experiments. However, it is not always clear how the information obtained from a mechanically perturbed system can be related to the information obtained using other denaturants since tensioned molecules unfold and refold along a reaction coordinate imposed by the force, which is not likely to be meaningful in its absence. Here, we explore this dichotomy by investigating the unfolding landscape of a model protein, which is unfolded first mechanically through typical force spectroscopy-like protocols and next thermally. When unfolded by nonequilibrium force extension and constant force protocols, we recover a simple two-barrier landscape as the protein reaches the extended conformation through a metastable intermediate. Interestingly, folding-unfolding equilibrium simulations at low forces suggested a totally different scenario, where this metastable state plays little role in the unfolding mechanism, and the protein unfolds through two competing pathways [R. Tapia-Rojo et al., J. Chem. Phys. 141, 135102 (2014)]. Finally, we use Markov state models to describe the configurational space of the unperturbed protein close to the critical temperature. The thermal dynamics is well understood by a one-dimensional landscape along an appropriate reaction coordinate, however it is very different from the mechanical picture. In this sense, the results of our protein model for the mechanical and thermal descriptions provide incompatible views of the folding/unfolding landscape of the system, and the estimated quantities to zero force result are hard to interpret.

Plowing-Induced Structuring of Compliant Surfaces.

The structures produced by a sharp tip scraping a compliant surface are modeled in the illustrative case of scan patterns formed by a series of parallel lines. This is made possible by a modified version of the Prandtl model for stick-slip friction, with an interaction energy landscape replicating the morphology of the evolving surface. As a result, a ripple motif emerges with a tilt angle increasing linearly with the distance between the scan lines, except for the region close to the left boundary of the scanned area, where the ripples are oriented at 90°. This region can penetrate considerably to the right, forming a complex branched pattern. These predictions are substantiated by atomic force microscopy nanolithography experiments on polystyrene surfaces at room temperature. A simple and robust theoretical protocol for reproducing early-stage wear processes (potentially going beyond single contacts) is thus made available.

Time Strengthening of Crystal Nanocontacts.

We demonstrate how an exponentially saturating increase of the contact area between a nanoasperity and a crystal surface, occurring on time scales governed by the Arrhenius equation, is consistent with measurements of the static friction and lateral contact stiffness on a model alkali-halide surface at different temperatures in ultrahigh vacuum. The "contact ageing" effect is attributed to atomic attrition and is eventually broken by thermally activated slip of the nanoasperity on the surface. The combination of the two effects also leads to regions of strengthening and weakening in the velocity dependence of the friction, which are well-reproduced by an extended version of the Prandtl-Tomlinson model.

Noise-induced enhancement of stability in a metastable system with damping.

The mean first passage time of a Brownian particle from an initial unstable state in a metastable system with damping is investigated. The system is analyzed in the low to high damping regime, and the role played by the damping parameter is studied. We observe the noise enhanced stability effect for all the initial unstable states under study and for all values of the damping parameter γ investigated. The curves show a behavior of the mean first passage time vs γ very close to that observed for an overdamped particle in the presence of colored noise as a function of the correlation time.