Structural differences of Cu-Pd clusters with three potential parameters

Parameters of potential function have a great influence on the structures of bimetallic clusters. Three potential parameters, i.e., parameter sets C, P/N, and M, are applied to study the structural difference of Cu-Pd clusters within 147 atoms. The structural optimization is performed by adaptive immune optimization algorithm with constructed inner cores and iterated local search method. Results showed that for parameters C and P/N the structural motifs of 55-atom and 147-atom Cu-Pd clusters are almost the same, but the atomic distribution is different. As for clusters with 75 and 98 atoms, there exist obvious differences in geometric configurations.