MOLECULAR DYNAMICS SIMULATION OF STRUCTURE STABILITY OF SILVER NANOCLUSTERS

金属学报(英文版), 2006, 19(3): 209-214.

^1,

1.School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013,China;School of Materials Science and Engineering, Central South University, Changsha 410083, China

基金项目: Talent Foundation of Jiangsu University(05JDG010) 国家自然科学基金(50401010)

MOLECULAR DYNAMICS SIMULATION OF STRUCTURE STABILITY OF SILVER NANOCLUSTERS

W.H. Qi ^1,

1.School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013,China;School of Materials Science and Engineering, Central South University, Changsha 410083, China

Keywords： structure stability

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.

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MOLECULAR DYNAMICS SIMULATION OF STRUCTURE STABILITY OF SILVER NANOCLUSTERS

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