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

Autor:	Yosuke Yamamoto, Shigeto R. Nishitani, Yuichi Sakamoto, Yoshihiro Masaki
Rok vydání:	2013
Předmět:	Crystallography Materials science Mechanics of Materials Mechanical Engineering Atom Stacking Thermodynamics General Materials Science Magnesium alloy Condensed Matter Physics Stacking fault
Zdroj:	MATERIALS TRANSACTIONS. 54:656-660
ISSN:	1347-5320 1345-9678
DOI:	10.2320/matertrans.mi201207
Popis:	The formation mechanism of the LPSO structures of Mg­Zn­Y 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. [doi:10.2320/matertrans.MI201207]
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::76e99712e1d287ef101249b2d33c2ac6 https://doi.org/10.2320/matertrans.mi201207 Zobrazit plný text záznamu