Paper Title:
Theoretical Investigation on Microstructure of the Novel 24R-Type LPSO Phase in Mg97Zn1Y2 Alloy
  Abstract

The first-principles calculation based on density functional theory has been carried out to study the microstructural feature of the novel 24R-type long period stacking ordered structure in Mg97Zn1Y2 alloy. The lattice positions of the Y and Zn atoms are determined theoretically, it is shown that the additive atoms are firstly enriched in the stacking fault layers at the two ends, a small amount are distributed in the interior stacking fault layers of the structure. And the arrangement of these Y and Zn atoms trends to be along the diagonal line of the unit cell. The structural stability is analyzed and the electronic density of state is discussed as well as.

  Info
Periodical
Advanced Materials Research (Volumes 233-235)
Edited by
Zhong Cao, Lixian Sun, Xueqiang Cao, Yinghe He
Pages
2359-2366
DOI
10.4028/www.scientific.net/AMR.233-235.2359
Citation
P. Y. Tang, M. X. Zeng, D. L. Li, B. Y. Tang, L. M. Peng, W. J. Ding, "Theoretical Investigation on Microstructure of the Novel 24R-Type LPSO Phase in Mg97Zn1Y2 Alloy", Advanced Materials Research, Vols. 233-235, pp. 2359-2366, 2011
Online since
May 2011
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Fang Lian, Li Hua Xu, Zhi Fu, Ning Chen
Abstract:The electronic structure of Ba(Mg1/3Nb2/3)O3 as a typical example of Ba(B¢1/3B¢¢2/3)O3 complex perovskites was investigated using the quantum...
39
Authors: Kenji Matsuda, Susumu Ikeno
Abstract:The precipitation sequence of Al-Mg-Si alloys has been studied by high-resolution transmission electron microscopy (HRTEM). G.P. zone is a...
361
Authors: Roberto B. Figueiredo, Zhi Chao Duan, Megumi Kawasaki, Terence G. Langdon
Abstract:The processing of bulk metals through the application of severe plastic deformation provides an opportunity for achieving exceptional grain...
341
Authors: Shuai Qin Yu, Li Hua Dong, Yan Sheng Yin
Abstract:The geometric structures and electronic properties of Si doped Fen (n=2-7) clusters have been systematically studied at the BPW91 level in...
984
Authors: S.K. Sharma
Abstract:Amorphous alloys, in general, exhibit superior mechanical and chemical properties as compared to their crystalline counterparts, which is...
51