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Mechanical and chemical effects of solute elements on generalized stacking fault energy of Mg

Published online by Cambridge University Press:  08 October 2014

Motohiro Yuasa ,
Yasumasa Chino  and
Mamoru Mabuchi
Motohiro Yuasa*
Affiliation:
Materials Research Institute for Sustainable Development, National Institute of Advanced Industrial Science and Technology, Shimo-shidami, Moriyama-ku, Nagoya 463-8560, Japan
Yasumasa Chino
Affiliation:
Materials Research Institute for Sustainable Development, National Institute of Advanced Industrial Science and Technology, Shimo-shidami, Moriyama-ku, Nagoya 463-8560, Japan
Mamoru Mabuchi
Affiliation:
Department of Energy Science and Technology, Graduate School of Energy Science, Kyoto University, Yoshidahonmachi, Sakyo-ku, Kyoto 606-8501, Japan
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

First-principles shear tests were performed on pure Mg, Mg–Li, Mg–Ca, Mg–Al, Mg–Sn, Mg–Ag, and Mg–Zn models to investigate the mechanical and chemical effects of the solute elements on the generalized stacking fault energy (GSFE) of Mg. The mechanical effect increased the unstable stacking fault energy (USFE), independent of the kind of solute element tested. The intensity of the mechanical effect was explained by the average distance between a solute atom and the surrounding Mg atoms, not by a difference in atomic radius between a solute atom and a Mg atom. In contrast, the chemical effect on the USFE was complicated, and the chemical effects of Ag and Zn were lower than expected from their electronegativity. Also, the chemical effect increased the USFE for the Li addition, but it decreased the USFE for the Ca addition although the electronegativity of Li is almost the same as that of Ca.

Keywords

Mg alloysstacking fault energiesDFT calculations
Type
Articles
Information
Journal of Materials Research , Volume 29 , Issue 21 , 14 November 2014 , pp. 2576 - 2586
Copyright
Copyright © Materials Research Society 2014 

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References

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