Structural Optimization of Cu–Ag–Au Trimetallic Clusters by Adaptive Immune Optimization Algorithm

2011 ◽  
Vol 115 (46) ◽  
pp. 13316-13323 ◽  
Author(s):  
Xia Wu ◽  
Genhua Wu ◽  
Youcun Chen ◽  
Yuanyuan Qiao
Keyword(s):  
Structural Optimization ◽  
Optimization Algorithm ◽  
Immune Optimization ◽  
Adaptive Immune ◽  
Immune Optimization Algorithm

scholarly journals Theoretical study of the structures of bimetallic Ag–Au and Cu–Au clusters up to 108 atoms

2019 ◽  
Vol 6 (8) ◽  
pp. 190342 ◽  
Author(s):  
Rongbin Du ◽  
Sai Tang ◽  
Xia Wu ◽  
Yiqing Xu ◽  
Run Chen ◽  
...  
Keyword(s):  
Optimization Algorithm ◽  
Theoretical Study ◽  
Immune Optimization ◽  
Adaptive Immune ◽  
Au Clusters ◽  
Immune Optimization Algorithm ◽  
Gupta Potential ◽  
Stable Structures

The stable structures of Ag–Au and Cu–Au clusters with 1 : 1, 1 : 3 and 3 : 1 compositions with up to 108 atoms are obtained using a modified adaptive immune optimization algorithm with Gupta potential. The dominant motifs of Ag–Au and Cu–Au clusters are decahedron and icosahedron, respectively. However, in Ag-rich Ag–Au clusters, more icosahedra are found, and in Cu-rich Cu–Au clusters, there exist several decahedral motifs. Four Leary tetrahedral motifs are predicted. Cu core Au shell configurations are predicted in Cu–Au clusters. In Ag–Au clusters, most Ag atoms are on the surface, but partial ones are located in the inner shell, while Au atoms are interconnected in the middle shell.

Sign in / Sign up

Export Citation Format

Share Document