Simulation of nano-elements interactions and self-assembling

The methods of numeric modelling within the framework of molecular dynamics were used for calculating the interactions of nanostructural elements. A method offered is based on the pairwise static interaction potential of nanoelements that is built up with the help of the approximation of the numerical calculation results using the method of molecular dynamics. Based on the potential of the pairwise interaction of the nanostructure elements, which takes into account forces and moments of forces, the method for calculating the nano-elements interaction, the ordering and self-organizing processes has been developed. The dependence of the ultimate stress limit of a monodisperse powder nanocomposite on the diameter of the constituent nanoparticles has been calculated. The investigation results of the self-organization of the system consisting of two or more particles are presented and the analysis of the equilibrium stability of various types of nanostructures has been carried out.