Fullerene nano ball bearings: an atomistic study

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 @ C-60 were higher than those Of C-60. While C-60 rolling dynamics were the same as K @ C-60 rolling dynamics, the sustaining pressure of K @ C-60 intercalated between layers was higher than that. of C-60 intercalated between layers. In molecular dynamics simulations of C-60 and K @ C-60 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 @ C-60 was more effective than C-60 for the application of nano ball bearings.