Molecular dynamics simulation of Cu-Ni and Cu-Pd binary clusters

This paper reports on the results of the molecular dynamics simulation of isothermal and isochronous annealings of binary clusters in the Cu-Ni and Cu-Pd systems. The specific features of the formation of the structure are investigated as a function of the component ratio and the cluster size. It is revealed that the Cu-Ni and Cu-Pd clusters have low and high tendencies toward amorphization, respectively. This is explained by different ratios between the atomic sizes in compositionally ordered systems.     

Atomic structure of Pdn (4 ≤ n ≤ 15) nanoclusters

The results of molecular dynamics simulation of the process of atom-by-atom growth of palladium nanoparticles are presented. The structures obtained for the Pd _n clusters agree well with the results of the first-principles calculations. The low-symmetry atomic configurations for the structure of the Pd₄ and Pd₁₃ clusters have been obtained using the semiempirical potentials of the interatomic interaction for the first time.