Investigation on the Crystalline Process of Co-Cu Nanoparticle during the Annealing

Abstract

This study uses molecular dynamics simulations to investigate the crystalline process of Co-Cu nanoparticles of high and low Co concentrations (5 and 25 %) during the annealing process. The modified many-body tight binding potential is adopted to accurately model the Cu-Cu, Co-Co, and Co-Cu pair inter-atomic interactions. The structural transformations at the upper and lower melting points are observed by the radial distribution function (RDF) and the angle correction function (ACF).