Simulation of the process of carbon nanotubes system self-organization

In this work we developed a coarse grained numerical model for simulation of a selforganization process of carbon nanotubes system under applied electric field. The model describes polarization of nanotubes in the system with electric field and also includes Van der Waals interaction between nanotubes. We developed an iterative algorithm of particle charge calculation in nanotube that provides a significant speedup of the calculation. Another advantage of this algorithm is better scaling of the calculation time as a function of system size. The results of the model application for calculation of selforganization process dynamics of carbon nanotubes are demonstrated.