Proceedings of the 3rd Annual International Conference on Advanced Material Engineering (AME 2017)

First-Principles Study of Elastic and Surfaces Properties of Ω(Al2Cu) Phase

Authors
Bao-Shu Qian, Yan-Hui Hou, Bo-Si Li, Liang Min, Yang Liu
Corresponding Author
Bao-Shu Qian
Available Online April 2017.
DOI
https://doi.org/10.2991/ame-17.2017.12How to use a DOI?
Keywords
First-principles, Surface properties, Elastic properties, Electronic structure.
Abstract
Elastic and surface properties of Ω phase have been studied by using the first-principles calculations based on density functional theory. The elastic properties results show that Ω structures are more inclined to resist shear deformation than volume deformation, and the precipitation of Ω phase enhances the strength of the alloy, but reduces the ductility of the alloy. The surface relaxation, surface energy, and the corresponding electronic structure are calculated and analyzed to reveal surface properties of Ω phase. The calculated results are in accordance with the experiment results and calculated results of others, which provide theoretical reference for further practical applications of the alloys.
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This is an open access article distributed under the CC BY-NC license.

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Proceedings
3rd Annual International Conference on Advanced Material Engineering (AME 2017)
Part of series
Advances in Engineering Research
Publication Date
April 2017
ISBN
978-94-6252-336-4
ISSN
2352-5401
DOI
https://doi.org/10.2991/ame-17.2017.12How to use a DOI?
Open Access
This is an open access article distributed under the CC BY-NC license.

Cite this article

TY  - CONF
AU  - Bao-Shu Qian
AU  - Yan-Hui Hou
AU  - Bo-Si Li
AU  - Liang Min
AU  - Yang Liu
PY  - 2017/04
DA  - 2017/04
TI  - First-Principles Study of Elastic and Surfaces Properties of Ω(Al2Cu) Phase
BT  - 3rd Annual International Conference on Advanced Material Engineering (AME 2017)
PB  - Atlantis Press
SN  - 2352-5401
UR  - https://doi.org/10.2991/ame-17.2017.12
DO  - https://doi.org/10.2991/ame-17.2017.12
ID  - Qian2017/04
ER  -