Abstract
Chaotic internal degrees of freedom of a molecule can act as noise and affect thediffusion of the molecule on a substrate. A separation of timescales between the fastinternal dynamics and the slow motion of the centre of mass on the substrate makesit possible to directly link chaos to diffusion. We discuss the conditions underwhich this is possible, and show that in simple atomistic models with pair-wiseharmonic potentials, strong chaos can arise through the geometry. Using moleculardynamics simulations, we demonstrate that a realistic model of benzene is indeedchaotic, and that the internal chaos affects the diffusion on a graphite substrate.
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