Theoretical Investigation of the Peapod Bending Influence on the Polymerization Process
We have studied the process of bending of the empty carbon nanotube (10,10) and the tube filled by fullerenes C60. We have shown that the empty nanotube is not break at the bending of 270 degrees, and the polymerization of fullerenes and the chemical interaction between the fullerenes and the tube wall is observed in the tube filled with fullerenes. The inside of the nanotubes is transformed into a wave-like. We used two methods: the empirical and the quantum - mechanical methods. We used the multi-dimensional approach. The simulation until the polymerization of fullerenes is carried out by the empirical method, and the polymerization process is modeled by the tight binding method.