First Principles Calculations of Solute Ordering in Mg–Zn–Y Alloys

• Yamamoto Yosuke

  Department of Informatics, Kwansei Gakuin University

• Sakamoto Yuichi

  Department of Informatics, Kwansei Gakuin University

• Masaki Yoshihiro

  Department of Informatics, Kwansei Gakuin University

• Nishitani Shigeto R.

  Department of Informatics, Kwansei Gakuin University

Bibliographic Information

Other Title

• First Principles Calculations of Solute Ordering in Mg–Zn–Y Alloys

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.

Journal

• MATERIALS TRANSACTIONS

  MATERIALS TRANSACTIONS 54 (5), 656-660, 2013

  The Japan Institute of Metals and Materials

Keywords

• first principles calculations
• stacking fault
• magnesium alloy
• long period stacking order

Details

• CRID: 1390001204251863936
• NII Article ID: 10031168406
• NII Book ID: AA1151294X
• DOI: 10.2320/matertrans.mi201207
• ISSN: 13475320
• ISSN: 13459678
• NDL BIB ID: 024456252
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I024456252
• Web Site: https://www.jstage.jst.go.jp/article/matertrans/54/5/54_MI201207/_pdf
• Text Lang: en
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed