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

被引：4

作者：

Sakamoto, Yuichi ^{[1
]}

Shirayama, Chihori ^{[1
]}

Yamamoto, Yosuke ^{[1
]}

Kubo, Rika ^{[1
]}

Kiyohara, Motoyuki ^{[1
]}

Nishitani, Shigeto R. ^{[1
]}

机构：

[1] Kwansei Gakuin Univ, Dept Informat, Sanda 6691337, Japan

来源：

MATERIALS TRANSACTIONS | 2015年 / 56卷 / 07期

关键词：

LPSO (long period stacking order structure); precipitation; L1(2) cluster; relaxation; activation energy; gamma surface; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ORDERED STRUCTURE; STRENGTH; METALS;

D O I：

10.2320/matertrans.MH201410

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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 L1(2) 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.

引用

页码：933 / 936

页数：4

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