Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction for the adsorption of atomic hydrogen at linear bends in graphene. We find a significant barrier lowering (≈15%...

We consider a class of Hamiltonian nonlinear wave equations governing a field defined on a spatially discrete one dimensional lattice, with discreteness parameter, d = h −1 , where h > 0 is the lattice spacing. The specific cases we consider in detail are the discrete sine-Gordon (SG) and discrete φ 4 models. For finite d and in the continuum limit (d → ∞) these equations have static kink-like ...

A discrete 4 system is proposed which preserves the topological lower bound on the kink energy. Existence of static kink solutions saturating this lower bound and occupying any position relative to the lattice is proved. Consequently, kinks of the model experience no Peierls-Nabarro barrier, and can move freely through the lattice without being pinned. Numerical simulations reveal that kink dyn...

With the growing number of crystal structures of RNA and RNA-protein complexes, a critical next step is understanding the dynamic solution behavior of these entities in terms of conformational ensembles and energy landscapes. To this end, we have used X-ray scattering interferometry (XSI) to probe the ubiquitous RNA kink-turn motif and its complexes with the canonical kink-turn binding protein ...

Graduated income tax rates and transfer programs create piecewise-linear budget constraints that consist of budget segments and kink points. With any change in these tax rules, each individual may switch between a kink point and a budget segment, between two budget segments, or between two kink points. With errors in the estimated labor supply equation, the new choice is uncertain, and so the w...

Extending our previous studies we present results for the doping, momentum, frequency, and temperature dependence of the kinklike change of the quasiparticle velocity resulting from the coupling to spin fluctuations. In the nodal direction a kink is found in both the normal and superconducting state while in the antinodal direction a kink occurs only below Tc due to the opening of the supercond...

V. Zharnitsky, I. Mitkov, and N. Gronbech-Jensen [Phys. Rev. E 58, 1, R52 (1998)] found that pi kinks can propagate in strongly perturbed, directly driven rescaled sine-Gordon system provided that the parameters are chosen to make 2pi kink localization vanish. In this paper we would like to note that beside pi and 2pi kinks there can exist other kinklike solutions due to the fact that two unsta...

We investigate the launching and stability of extragalactic jets through nonlinear magnetohydrodynamic (MHD) simulation and linear eigenmode analysis. In the simulations of jet evolution, a small-scale equilibrium magnetic arcade is twisted by a differentially rotating accretion disk. These simulations produce a collimated outflow which is unstable to the current driven m = 1 kink mode for low ...

Antibody complementarity determining region (CDR) H3 loops are critical for adaptive immunological functions. Although the other five CDR loops adopt predictable canonical structures, H3 conformations have proven unclassifiable, other than an unusual C-terminal "kink" present in most antibodies. To determine why the majority of H3 loops are kinked and to learn whether non-antibody proteins have...

We investigate the interface coupling between the 2D sine-Gordon equation and the 2D wave equation in the context of a Josephson window junction using a finite volume numerical method and soliton perturbation theory. The geometry of the domain as well as the electrical coupling parameters are considered. When the linear region is located at each end of the nonlinear domain, we derive an effecti...