The surface of a crystal made of roughly spherical molecules exposes, above its bulk rotational phase transition at T = T-r, a carpet of freely rotating molecules, possibly functioning as " nanobearings" in sliding friction. We explored by extensive molecular dynamics simulations the frictional and adhesion changes experienced by a sliding C-60 flake on the surface of the prototype system C-60 fullerite. At fixed flake orientation both quantities exhibit only a modest frictional drop of order 20% across the transition. However, adhesion and friction drop by a factor of similar to 2 as the flake breaks its perfect angular alignment with the C-60 surface lattice suggesting an entropy-driven aligned-misaligned switch during pull-off at T-r. The results can be of relevance for sliding Kr islands, where very little frictional differences were observed at T-r, but also to the sliding of C-60-coated tip, where a remarkable factor similar to 2 drop has been reported.
Does rotational melting make molecular crystal surfaces more slippery? / Benassi, Andrea; Vanossi, Andrea; Pignedoli, C. A.; Passerone, D.; Tosatti, Erio. - In: NANOSCALE. - ISSN 2040-3364. - 6:21(2014), pp. 13163-13168. [10.1039/c4nr04641b]
Does rotational melting make molecular crystal surfaces more slippery?
Benassi, Andrea;Vanossi, Andrea;Tosatti, Erio
2014-01-01
Abstract
The surface of a crystal made of roughly spherical molecules exposes, above its bulk rotational phase transition at T = T-r, a carpet of freely rotating molecules, possibly functioning as " nanobearings" in sliding friction. We explored by extensive molecular dynamics simulations the frictional and adhesion changes experienced by a sliding C-60 flake on the surface of the prototype system C-60 fullerite. At fixed flake orientation both quantities exhibit only a modest frictional drop of order 20% across the transition. However, adhesion and friction drop by a factor of similar to 2 as the flake breaks its perfect angular alignment with the C-60 surface lattice suggesting an entropy-driven aligned-misaligned switch during pull-off at T-r. The results can be of relevance for sliding Kr islands, where very little frictional differences were observed at T-r, but also to the sliding of C-60-coated tip, where a remarkable factor similar to 2 drop has been reported.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.