Internal degrees of freedom and transport of benzene on graphite

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Abstract

In this paper, the chaotic internal degrees of freedom of a benzene molecule adsorbed on a graphite substrate, their interplay with thermal noise, and their effects on the diffusion and drift are investigated analytically by making use of the presence of two different time scales as well as by molecular-dynamics simulations. The effects of thermal noise are investigated, and it is found that noise does not significantly alter the dynamics of the internal degrees of freedom, yet affects the friction and diffusion of the center of mass. Qualitative and quantitative theoretical predictions for the friction and diffusion of the molecule on the substrate are made and are compared to molecular-dynamics simulations. Contributions to the friction and diffusion from the finite heat bath as well as the slow dynamics of the center of mass are formally identified. It is shown that the torsion in benzene, which dominates the nonlinear coupling, significantly affects the friction of the molecule on the surface. The results compare favorably with recent results from He/neutron spin echo experiments on this system. Based on the analytical and numerical results, some suggestions are made for experimental conditions under which the effects of internal degrees of freedom might be observable.

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Torque and twist against superlubricity.

Joseph Klafter, Martin Dienwiebel, J W M Frenken … (2008)

Superlubricity between incommensurate surfaces provides a desired low-friction state essential for the function of small-scale machines. Here we demonstrate experimentally and theoretically that superlubricity in contacts lubricated by lamellar solids might be eliminated due to torque-induced reorientation coupled to lateral motion. We find that the possibility of reorientation always leads to stabilization of a high frictional state which corresponds to a commensurate configuration.

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Helium-3 spin-echo: Principles and application to dynamics at surfaces

A.P. Jardine, H. Hedgeland, G. Alexandrowicz … (2009)

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Diffusion on a solid surface: Anomalous is normal

A. H. Romero, I. M. Sokolov, K. Lindenberg … (2003)

We present a numerical study of classical particles diffusing on a solid surface. The particles' motion is modeled by an underdamped Langevin equation with ordinary thermal noise. The particle-surface interaction is described by a periodic or a random two dimensional potential. The model leads to a rich variety of different transport regimes, some of which correspond to anomalous diffusion such as has recently been observed in experiments and Monte Carlo simulations. We show that this anomalous behavior is controlled by the friction coefficient, and stress that it emerges naturally in a system described by ordinary canonical Maxwell-Boltzmann statistics.