A Molecular Dynamics Study on the Physical Properties of (CuPd)147 Alloy Nanoparticles

The melting of CuPd bimetallic clusters was studied by using molecular dynamics with the embedded-atom method. The results show that the same number of Cu atoms with Pd clusters, their temperature curve of clusters and the melting point value can be induced by the process of Cu atomic segregation to appear big differences. According to the analysis of HA index and clusters snapshot image, the singular phenomenon is caused by hierarchical differences between Cu atomic distances from the inner surface segregation. It is concluded that the difference of the melting point of Cu-Pd bimetallic clusters provides an effective method of controllable preparation.