Self-propelled continuous transport of nanoparticles on a wedge-shaped groove track

Controlling the directional motion of nanoparticles on the surface is particularly important for human life, but achieving continuous transport is a time-consuming and demanding task. Here, a spontaneous movement of nanoflakes on a wedge-shaped groove track is demonstrated by using all-atom molecular dynamics (MD) simulations. Moreover, an optimized track, where one end of the substrate is cut into an angle, is introduced to induce a sustained directional movement. It is shown that the wedge-shaped interface results in a driving force for the nanoflakes to move from the diverging to the converging end, and the angular substrate provides an auxiliary driving force at the junction to maintain continuous transport. A force analysis is carried out in detail to reveal the driving mechanism. Moreover, the sustained transport is sensitive to the surface energy and structural characteristics of the track: the nanoflakes are more likely to move continuously on the track with lower surface energy and a smaller substrate and groove opening angle. The present findings are useful for designing nanodevices to control the movement of nanoparticles.