Proceedings of the 2016 5th International Conference on Environment, Materials, Chemistry and Power Electronics

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Structural stability and elastic constants of precipitate phases of Mg-5%Al alloy with combined Ca and Sr addition from first-principles calculations

Authors
Suqin Luo, Aitao Tang, WeiWei Du, Bin Jiang, Hanwu Dong, Xia Wu, Fusheng Pan
Corresponding Author
Suqin Luo
Available Online August 2016.
DOI
10.2991/emcpe-16.2016.133How to use a DOI?
Keywords
Magnesium Alloy; Structural Stability; Mg-Al-Ca-Sr; Elastic Constants
Abstract

The calculated lattice parameters and enthalpies of formation of A12Ca, Al2Sr,A14Ca, Al4Sr,Mg2Ca,and Mg2Sr phase in Mg-Al-Ca-Sr alloy system were compared with both calculation results and experimental data published in references available, and the structural stability of these intermetallic compounds phases were estimated from the energetic point of view. The results showed that A12Ca phase had a higher structural stability. After further calculation of lattice parameters and enthalpies of formation of Al2(Ca,Sr) phase with Sr and Ca variation respectively, the structural stability of Al2(Ca,Sr) phase was predicted from the thermodynamic point of view. The results showed that Al2(Ca,Sr) phase had a good alloying ability and the Al2(Ca,Sr) with various Ca/Sr atom ratio was either stable, which demonstrated the mutual solubility of Ca and Sr in Al2(Ca,Sr) phase. The elastic constants and mechanical parameters for Mg, Al2 (Ca, Sr) and Al4Sr in Mg-5%Al-Ca-Sr alloy were further calculated. Results showed that the obtained elastic constants and mechanical parameters of Mg were accordant with the experimental results and Al4Sr is both of the best ductility and plasticity, while Al2 (Ca, Sr) is both of poorest ductility and plasticity in Mg-Al-Ca-Sr alloy.

Copyright
© 2016, the Authors. Published by Atlantis Press.
Open Access
This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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Volume Title
Proceedings of the 2016 5th International Conference on Environment, Materials, Chemistry and Power Electronics
Series
Advances in Engineering Research
Publication Date
August 2016
ISBN
10.2991/emcpe-16.2016.133
ISSN
2352-5401
DOI
10.2991/emcpe-16.2016.133How to use a DOI?
Copyright
© 2016, the Authors. Published by Atlantis Press.
Open Access
This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

Cite this article

risenwbib
TY  - CONF
AU  - Suqin Luo
AU  - Aitao Tang
AU  - WeiWei Du
AU  - Bin Jiang
AU  - Hanwu Dong
AU  - Xia Wu
AU  - Fusheng Pan
PY  - 2016/08
DA  - 2016/08
TI  - Structural stability and elastic constants of precipitate phases of Mg-5%Al alloy with combined Ca and Sr addition from first-principles calculations
BT  - Proceedings of the 2016 5th International Conference on Environment, Materials, Chemistry and Power Electronics
PB  - Atlantis Press
SP  - 474
EP  - 482
SN  - 2352-5401
UR  - https://doi.org/10.2991/emcpe-16.2016.133
DO  - 10.2991/emcpe-16.2016.133
ID  - Luo2016/08
ER  -