화학공학소재연구정보센터
Chemical Physics Letters, Vol.422, No.4-6, 358-362, 2006
Structural optimization of silver clusters from Ag-61 to Ag-120 by dynamic lattice searching method
Structures of silver clusters from Ag-61 to Ag-120 were optimized with an unbiased global optimization algorithm named dynamic lattice searching (DLS). The interaction among silver atoms is modeled by the Gupta potential. New global minima of Ag-79 and Ag-80 were found. The results show that there are two magic number clusters Ag-75 and Ag-101 from Ag-61 to Ag-120. Most of the clusters in the studied sizes have decahedral motifs, however, there are 9 clusters with non-decahedral pattern between the two neighboring magic numbers. These results might help us understand the growth rules of medium sized silver clusters. (c) 2006 Elsevier B.V. All rights reserved.