Published October 19, 2009 | Version v1
Journal article Metadata-only

Microstructure and electronic characteristics of the 6H-type ABACAB LPSO structure in Mg97Zn1Y2 alloy

Creators

  • 1. Key Laboratory of Low Dimensional Materials and Application Technology of Ministry of Education, Department of Physics, Xiangtan University, Hunan Province 411105 (China)
  • 2. School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004 (China)
  • 3. Light Alloy Net Forming National Engineering Research Center, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai 200030 (China)

Description

Microstructure and electronic characteristics of the 6H-type ABACAB LPSO structure in Mg97Zn1Y2 alloy are investigated by means of first-principles calculation within the generalized gradient approximation. The accurate positions of the solid solution atoms Y and Zn together with the arrangement rules are determined theoretically and the lattice distortion of the 6H-type ABACAB structure is also discussed in comparison with the 6H-type ABCBCB' structure. The stability is also analyzed on the basis of the calculated cohesive energy, which reveals that Y element stabilizes the structure significantly. The electronic characteristics show that the Y element enhances the strength of alloy due to the presence of Mg-Y covalent bonding and the hybridization between Mg and Zn is relatively strong in entire region which contributes to improve the alloy's ductility.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.jallcom.2009.06.045

Additional details

Identifiers

DOI
10.1016/j.jallcom.2009.06.045;
PII
S0925-8388(09)01197-9;

Publishing Information

Journal Title
Journal of Alloys and Compounds
Journal Volume
485
Journal Issue
1-2
Journal Page Range
p. 672-676
ISSN
0925-8388
CODEN
JALCEU

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
41119557
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
DUCTILITY; HYBRIDIZATION; MAGNESIUM ALLOYS; MICROSTRUCTURE; SOLID SOLUTIONS; STABILITY; YTTRIUM ALLOYS; ZINC ALLOYS
Descriptors DEC
ALLOYS; DISPERSIONS; HOMOGENEOUS MIXTURES; MECHANICAL PROPERTIES; MIXTURES; SOLUTIONS; TENSILE PROPERTIES; TRANSITION ELEMENT ALLOYS

Optional Information

Copyright
Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.