Investigation into the structure and features of the coalescence of differently shaped metal nanoclusters

Abstract

The coalescence of gold and copper nanoparticles subjected to gradual heating is simulated by means of the Monte Carlo method. The interaction of nanoparticles is described using the Gupta many-body potential. It is found that the nanoparticle shape substantially affects both the melting point and the coalescence process as a whole. Moreover, there is no coalescence at all at some distances between nanoparticles in the initial configuration. The optimal parameters for creating metal nanocontacts sandwiched between nanoscale-bus tracks are determined. The obtained stable structure of nanoscale contacts is analyzed.