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We present a computational study of sliding between gold clusters and ahighly oriented pyrolytic graphite substrate, a material system that exhibitsultra-low friction due to structural lubricity. By means of molecular dynamics,it is found that clusters may undergo spontaneous rotations during manipulationas a result of elastic instability, leading to attenuated friction due toenhanced interfacial incommensurability. In the case of a free cluster, shearstresses exhibit a non-monotonic dependency on the strength of the tip-clusterinteraction, whereby rigid clusters experience nearly constant shear stresses.Finally, it is shown that the suppression of the translational degrees offreedom of a cluster's outermost-layer can partially annihilate out-of-planephonon vibrations, which leads to a reduction of energy dissipation that is incompliance with Stokesian damping. It is projected that the physical insightattained by the study presented here will result in enhanced control andinterpretation of manipulation experiments at structurally lubric contacts.

A Computational Study of Cluster Dynamics in Structural Lubricity: Role of Cluster Rotation