COMPUTER SIMULATIONS OF CARBON NANO-OSCILLATORS AND THEIR DYNAMIC PROPERTIES INVESTIGATION

Abstract

Recently a great theoretical and experimental research effort has been carried out in order to investigate the encapsulation processes and oscillatory mechanisms of C60 and C20 fullerenes into nanotubes [1]. In this work we present the molecular dynamics simulation of oscillation processes in the systems of a C60 fullerene and a single walled armchair (12,12) carbon nanotube. The two different configurations of the system were considered. Our results show that these devices are dynamically stable; frequencies about 1 THz were observed. In addition, more complicated type of interaction between the nanotube and the C60 fullerene was noticed.