Effects of Ag Atomic Segregation from Different Planes on the Size-Dependent Melting of Ag-Pd Clusters.

This paper studies the effects of Ag atomic segregation from the inner (100) or (111) planes on the melting of Ag-Pd clusters with different sizes by a molecular dynamics simulation. The results show that Ag segregation leads to the atomic energy decreases with increasing the temperature. Furthermore, the effect of the (100) segregation is larger than that of the (111) segregation. Meanwhile, the influence of segregation on the energy decreases with increasing the cluster size. The melting points of the clusters without segregation are the largest, followed by the clusters with a (111) and (100) segregation. [ABSTRACT FROM AUTHOR]