MOLECULAR DYNAMICS SIMULATION OF STRUCTURE STABILITY OF SILVER NANOCLUSTERS
来源期刊：Acta Metallurgica Sinica2006年第3期
论文作者：W.H. Qi
Key words：structure stability; molecular dynamics; silver nanoclusters;
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.
W.H. Qi1
(1.School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013,China;
2.School of Materials Science and Engineering, Central South University, Changsha 410083, China)
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;
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