MATERIALS TRANSACTIONS
Online ISSN : 1347-5320
Print ISSN : 1345-9678
ISSN-L : 1345-9678
First Principles Calculations of Solute Ordering in Mg–Zn–Y Alloys
Yosuke YamamotoYuichi SakamotoYoshihiro MasakiShigeto R. Nishitani
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2013 Volume 54 Issue 5 Pages 656-660

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Abstract

The formation mechanism of the LPSO structures of Mg–Zn–Y alloys has been investigated by the energetic assessments with the first principles calculations. For the key players of the LPSO structures, the stacking faults and the solute elements of Zn and Y, two scenarios are proposed; one is the stacking fault control and the other is the solute atom pair control. Both of them were declined through the detailed investigations of the energetic assessments. The enrichment of solute atoms induced by the stacking fault is suggested.

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© 2013 The Japan Institute of Metals and Materials
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