Kink plateau dynamics in finite-size lubricant chains

We extend the study of velocity quantization phenomena recently found in the classical motion of an idealized 1D model solid lubricant -- consisting of a harmonic chain interposed between two periodic sliding potentials [Phys. Rev. Lett. 97, 056101 (2006)]. This quantization is due to one slider rigidly dragging the commensurate lattice of kinks that the chain forms with the other slider. In this follow-up work we consider finite-size chains rather than infinite chains. The finite size (i) permits the development of robust velocity plateaus as a function of the lubricant stiffness, and (ii) allows an overall chain-length re-adjustment which spontaneously promotes single-particle periodic oscillations. These periodic oscillations replace the quasi-periodic motion produced by general incommensurate periods of the sliders and the lubricant in the infinite-size model. Possible consequences of these results for some real systems are discussed.Comment: 12 pages, 5 figures, ECOSS 200

Quantum Frenkel-Kontorova Model

This paper gives a review of our recent work on the quantum Frenkel-Kontorova model. Using the squeezed state theory and the quantum Monte Carlo method, we have studied the effects of quantum fluctuations on the Aubry transition and the behavior of the ground state wave function. We found that quantum fluctuations renormalize the sinusoidal standard map to a sawtooth map. Although quantum fluctuations have smeared the Aubry transition, the remnants of this transition are still discernible. The ground state wave function also changes from an extended state to a localized state. The squeezed state results agree very well with those from the Monte Carlo and mean field studies.Comment: 20 pages in elsart.sty, 11 eps figure

Action-derived molecular dynamics in the study of rare events

We present a practical method to generate classical trajectories with fixed initial and final boundary conditions. Our method is based on the minimization of a suitably defined discretized action. The method finds its most natural application in the study of rare events. Its capabilities are illustrated by non-trivial examples. The algorithm lends itself to straightforward parallelization, and when combined with molecular dynamics (MD) it promises to offer a powerful tool for the study of chemical reactions.Comment: 7 Pages, 4 Figures (3 in color), submitted to Phys. Rev. Let

Investigating Rare Events by Transition Interface Sampling

We briefly review simulation schemes for the investigation of rare transitions and we resume the recently introduced Transition Interface Sampling, a method in which the computation of rate constants is recast into the computation of fluxes through interfaces dividing the reactant and product state.Comment: 12 pages, 1 figure, contributed paper to the proceedings of NEXT 2003, Second Sardinian International Conference on News and Expectations in Thermostatistics, 21-28 Sep 2003, Cagliari (Italy

CHEMICAL PHYSICS LETTERS Electrostatics by Brownian dynamics: solving the Poisson equation near dielectric interfaces

The isomorphism between electrostatics and diffusion is discussed and utilized to develop a Brownian dynamics algorithm for solving the Poisson equation near dielectric interfaces. The electrostatic potential behaves as if carried by noninteracting, randomly moving pseudo-pa~cles whose residence time in a given region of space is proportional to the electrostatic potential there. By applying random numbers from the exact solution for diffusion near a planar discontinuity, the Brownian motion of these particles can be propagated for large time steps, independent of spatial grids or artificial boundary conditions. The applicability of the Brownian algorithm is demonstrated in simple illustrative calculations. © 1997 Elsevier Science B.V. 1