MOLECULAR DYNAMICS SIMULATION OF STRUCTURE STABILITY OF SILVER NANOCLUSTERS

Abstract

Abstract: The structures of Ag clusters with sizes n=13 to 1157 are studied by tight binding molecular dynamics simulation. It is found that the stable structures of Ag clusters follow the sequence amorphous-crystalline-amorphous-crystalline with the cluster size increasing from 13 to 1157. Furthermore, all the shells of Ag clusters are different from the structure of the corresponding bulk Ag.

Key words: structure stability, molecular dynamics, silver nanoclusters

W.H. Qi. MOLECULAR DYNAMICS SIMULATION OF STRUCTURE STABILITY OF SILVER NANOCLUSTERS[J]. Acta Metallurgica Sinica (English Letters), 2006, 19(3): 209-214 .

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