FIRST-PRINCIPLES STUDY ON THE PHASE STABILITY OF Mg-La AND Mg-Nd BINARY ALLOYS

doi:10.3724/SP.J.1037.2012.00089

Acta Metall Sin

2012, Vol. 48

Issue (7): 889-894 DOI: 10.3724/SP.J.1037.2012.00089

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FIRST-PRINCIPLES STUDY ON THE PHASE STABILITY OF Mg-La AND Mg-Nd BINARY ALLOYS

ZHANG Hui, WANG Shaoqing

Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016

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ZHANG Hui WANG Shaoqing. FIRST-PRINCIPLES STUDY ON THE PHASE STABILITY OF Mg-La AND Mg-Nd BINARY ALLOYS. Acta Metall Sin, 2012, 48(7): 889-894.

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Abstract The applications of magnesium alloys in automobile industry are limited by their poor high-temperature creep resistance, which can be effectively improved by rare earth (RE) elements addition. In general, rare earth elements are introduced as mixtures of various kinds of metals, and all of the elements are considered to behave in the same way. In practice, various rare earth elements may act differently in magnesium alloys. La and Nd are the two elements usually added to magnesium alloys. In this paper, first-principles calculations are made to investigate the phase stability of Mg-La and Mg-Nd binary alloy systems. In addition, the solubility of La and Nd in Mg is discussed and the elastic constants of the strengthening phases in Mg-La and Mg-Nd alloys are calculated. The equilibrium phases between Mg₁₂RE and Mg₃RE are Mg₁₇La₂ and Mg₄₁Nd₅ for Mg-La and Mg-Nd systems respectively. The difference of calculated solubility for La and Nd in Mg indicates the distinct strengthening mechanism for these two alloy systems. Mg₃Nd is predicted to have larger elastic moduli and a better strengthening effect than Mg$_{12}$La.

Key words: first-principles magnesium alloy rare earth element

Received: 21 February 2012

ZTFLH:

TG146.2+2

Fund:

National Basic Research Program of China;Informalization Construction Project of Chinese Academy of Sciences during the 11th Five-Year Plan Period

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https://www.ams.org.cn/EN/10.3724/SP.J.1037.2012.00089 OR https://www.ams.org.cn/EN/Y2012/V48/I7/889

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