Fullerene nano ball bearings: an atomistic study

Abstract

We investigated fullerene and metallofullerene nano ball bearings using classical molecular dynamics and steepest descent methods based on both the Tersoff–Brenner and the Lennard-Jones 12–6 potentials. Under hydrostatic pressures, the bulk modulus and the ultimate pressure of K @C60 were higher than those of C60. While C60 rolling dynamics were the same as K @C60 rolling dynamics, the sustaining pressure of K @C60 intercalated between layers was higher than that of C60 intercalated between layers. In molecular dynamics simulations of C60 and K @C60 rolling motions, periodic variations of the frictional forces were found and the mean dynamical frictional forces were almost zero. We were able to conclude that K @C60 was more effective than C60 for the application of nano ball bearings.