The Study and modeling of nanoparticles’ interactions

Abstract

In the current work, dispersion interactions between nanoparticles and the effects different parameters (size, Geometry, interparticle distance, retardation and many body forces) were investigated. The effect of particles' geometry is studied by comparing three basic shapes: cubic, cylindrical and spherical. The results show that effect of geometry is significant for interparticle distances less than 20% of particles radius. The retarded van der Waals interaction energy is also investigated, and it was shown that this effect is highly dependent on particle' size and shape as well as the distance. A modified model is proposed for extremally small nanoparticles (R~ 10 nm). We used the coupled dipole method and then from the Trace formulism of this model we introduce a new algebraic formula of the interaction energy between identical nanoclusters. Furthermore, A novel representation using graph theory is also used to represent each mode of interaction derived from the new formulism. These graphs were used to derive the formula for m-body interaction energy in a form of a series which was proven to be equivalent to the results developed from more complicated methods such as perturbation theory in quantum mechanics. We also have studied the interaction between two chains of atoms, with two geometrical configurations parallel and colinear. When our result is compared to that which was calculated from the pairwise summation method, we find that many body interactions have a significant effect on the overall interaction