Atomistic simulations of double-walled carbon nanotubes (DWCNTs) as rotational bearings

Abstract

Atomistic simulations of double-walled carbon nanotubes (DWCNTs) as rotational bearings were performed. Molecular mechanics (MM) calculations show that the interlayer energy surface of the bearings is nearly flat. Thermal effects on the bearings were studied with molecular dynamics (MD) simulations at finite temperature. These simulations show that the interlayer corrugation against rotation, and hence the interlayer friction coefficient, is extremely small, suggesting the possible application of DWCNTs as wearless bearings. Extreme operational conditions of the bearings for which the bearings disintegrate are also reported.