Electronic origin of the anomalous solid solution hardening of Y and Gd in Mg: A first-principles study |
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| Authors: | Lei Gao Jian Zhou ZhiMei Sun RongShi Chen EnHou Han |
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| Affiliation: | [1]State Key Laboratory for Corrosion and Protection, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China; [2]Graduate School of the Chinese Academy of Sciences, Beifing 100049, China; [3]Department of Materials Science and Engineering, College of Materials, Xiamen University, 361005 Xiamen, China |
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| Abstract: | Y and Gd demonstrate anomalous solid solution hardening efficiency, which cannot be understood using the elastic impurity-dislocation interaction theory. We performed first-principles calculations to investigate the effect of different alloying elements such as Al, Zn, Y, and Gd on the chemical bonding of Mg solid solutions. The present calculations clearly show that the anomalous solid solution hardening of Y and Gd in Mg may be understood based on the increased bonding strength of both Mg-Y (Gd) and Mg-Mg. |
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| Keywords: | magnesium alloys solid solution hardening first-principles chemical bonding |
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