Materials Transactions Online

Materials Transactions, Vol.56 No.07 (2015) pp.933-936
© 2015 The Japan Institute of Metals and Materials

First Principles Calculations of Solute Sweeping and Stacking Faults in Mg-Zn-Y Alloy

Yuichi Sakamoto, Chihori Shirayama, Yosuke Yamamoto, Rika Kubo, Motoyuki Kiyohara and Shigeto R. Nishitani

Department of Informatics, Kwansei Gakuin University, Sanda 669-1337, Japan

The formation mechanism of the long-period stacking-ordered (LPSO) structure of a Mg-Zn-Y alloy was investigated through energy assessments using first-principles calculations. The solute atoms are swept out from stacking fault regions because of their repulsive interaction with precipitated L12 clusters. The swept-out solute atoms are condensed a few layers away from the stacking-fault regions and accelerate the introduction of other stacking faults. A new scenario in the formation of the LPSO structure is proposed.

[doi:10.2320/matertrans.MH201410]

(Received 2014/12/25; Accepted 2015/03/16; Published 2015/06/25)

Keywords: LPSO (long period stacking order structure), precipitation, L12 cluster, relaxation, activation energy, gamma surface

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