Simulation of the Self-Organization Process of Carbon Nanotube Systems

Abstract

In this paper, we develop a coarse grained numerical model for the simulation of a self-organization process for a system of carbon nanotubes under the applied electric field. The model describes the polarization of nanotubes in the system with an electric field and also includes the Van der Waals interaction between nanotubes. We develop an iterative computation algorithm for particle charges in the nanotube, providing a significant speedup of the computation. Another advantage of this algorithm is the better scaling of the computation time as a function of the system size. The results of the application of this model to computing the self-organization process of the dynamics of carbon nanotubes are demonstrated.