Structures and melting of Ag-N (N = 7, 12-14) clusters

摘要

We have studied the most stable structures of Ag-N (N = 7, 12, 13, 14) clusters and investigated their binding energies and melting behaviours using molecular dynamics and thermal quenching methods based on the Voter-Chen version of the embedded atom method. The melting like transition is described in terms of atom resolved root-mean-square bond length fluctuations, specific heats, coordination numbers and short-time averaged temperatures. Some of these diagnostic tools are also used for the overall behaviour of the clusters. The results are compared with the relevant literature.