Molecular Dynamics Study of Icosahedral Clusters in Ni--Zr Amorphous Alloys
YANG Quan-Wen, ZHANG Tao
Department of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100083
Molecular Dynamics Study of Icosahedral Clusters in Ni--Zr Amorphous Alloys
YANG Quan-Wen;ZHANG Tao
Department of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100083
关键词 ：
61.43.Bn ,
81.05.Kf
Abstract ： Formation of icosahedral clusters in rapidly solidified binary amorphous Nix Zr100-x (x=15, 33.3, 50, 66.7, 85) is studied by using molecular dynamics simulation methods. A large number of icosahedral clusters with 13 atoms (Ih13) were observed in Nix Zr100-x alloys, and most of them, even those in Zr-rich alloys, are found to be Ni-centred. Studies on the structures of Ni33.3 Zr66.7 obtained at different cooling rates demonstrate that most of iscosahedral clusters enhanced by decreasing cooling rates are also Ni-centred. The essentials of Ni atoms preferring to be the core of icosahedral clusters are illustrated with the criterion of energy minimization and the equilibrium interatomic distances between different atoms.
Key words ：
61.43.Bn
81.05.Kf
出版日期: 2006-04-01
:
61.43.Bn
(Structural modeling: serial-addition models, computer simulation)
81.05.Kf
(Glasses (including metallic glasses))
引用本文:
YANG Quan-Wen;ZHANG Tao. Molecular Dynamics Study of Icosahedral Clusters in Ni--Zr Amorphous Alloys[J]. 中国物理快报, 2006, 23(4): 915-918.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y2006/V23/I4/915
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2006, Vol. 23 
