Using first principles calculations for O vacancy diffusion on CeO(2)(111), we locate a surface diffusion mechanism, the two-step O vacancy exchange one, which is more favored than the most common hopping mechanism. By analyzing the results, we identify quantitatively the physical origin of why the two-step exchange mechanism is preferred.

Inspired by kangaroo’s locomotion, we report on developing a kangaroo-style hopping robot. Unlike bipeds, quadrupeds, or hexapods which alternate the legs for forward locomotion, the kangaroo uses both legs synchronously and generates the forward locomotion by continuous hopping behavior, and the tail actively balances the unwanted angular momentum generated by the leg motion. In this work, we ...

Trajectory surface-hopping simulations reveal the excited-state mechanism of trimethylamine, resonantly pumped to Rydberg 3p manifold. Key mechanistic aspects are internal conversion and vibrational dynamics occurring on sub-ps ps timescales.

We report on vortex transport in Bi2Sr2Ca1−xYxCu2O8 crystals irradiated at different doses of heavy ions. We show evidence of a flux-creep resistivity typical of a variable-range vortex hopping mechanism as predicted by Nelson and Vinokur.

We have bridged a pair of gold electrodes with various arrangements of gold nanoparticles stabilized with citrate molecules. The resulting devices exhibited current fluctuations at a constant bias voltage and fluctuations of the differential conductance as a function of the bias voltage. These fluctuations were attributed to the interplay of molecular conformation, charge switching, and breakin...

We present a method for estimating the hopping rate for Zwanzig’s model of self-diffusion in liquids @R. Zwanzig, J. Chem. Phys. 79, 4507 ~1983!#. To obtain this estimate, we introduce the cage correlation function which measures the rate of change of atomic surroundings, and associate the long-time decay of this function with the basin hopping rate for diffusion. Results from a set of simulati...

0301-0104/$ see front matter 2010 Elsevier B.V. A doi:10.1016/j.chemphys.2010.04.041 * Corresponding author. E-mail address: [email protected] (C.B Using Monte Carlo simulations, we study lateral electronic diffusion in dense monolayers composed of a mixture of redox-active and redox-passive chains tethered to a surface. Two charge transport mechanisms are considered: the physical dif...

The in-plane transport of strongly underdoped La2−xSrxCuO4 films was examined in the magnetic fields up to 14 T and in temperatures down to 1.6 K. While at high temperatures the samples display metallic-like resistivity, the low-T transport is governed by variable-range-hopping mechanism. Careful analysis shows that the temperature dependence of pre-exponential factor in Mott’s variable-range-h...