Direct observation of solute interstitials and their clusters in Mg alloys

IMR OpenIR

	Direct observation of solute interstitials and their clusters in Mg alloys
	Yang, Z. Q.; Ma, S. Y.; Hu, Q. M.; Ye, H. Q.; Chisholm, M. F.; Yang, ZQ (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
	2017-06-01
发表期刊	MATERIALS CHARACTERIZATION
ISSN	1044-5803
卷号	128 页码:226-231
摘要	Individual solute interstitial atoms in Mg alloys were directly observed through aberration-corrected Z-contrast imaging. The atomic species and local positions of solute interstitials were further determined in combination of density functional theory calculations based on their formation energy. Individual octahedral and tetrahedral interstitials in hexagonal-close-packed Mg are Zn and Y, respectively. Interestingly, there are six positions around the center of each octahedral interstice, which can also accommodate a Zn interstitial, besides the ideal octahedral interstice. Y tetrahedral interstitials evolve to [0001] Y-Mg dumbbells. Moreover, an Y atom can form a crowdion between two neighboring Mg atoms along the <20<(2)over bar>3> direction. In particular, small clusters consisting of various point defects were observed, providing direct evidence for enthalpy-driven clustering of point defects, which may have implications for atomic-scale understanding of nucleation mechanisms of strengthening precipitates.; Individual solute interstitial atoms in Mg alloys were directly observed through aberration-corrected Z-contrast imaging. The atomic species and local positions of solute interstitials were further determined in combination of density functional theory calculations based on their formation energy. Individual octahedral and tetrahedral interstitials in hexagonal-close-packed Mg are Zn and Y, respectively. Interestingly, there are six positions around the center of each octahedral interstice, which can also accommodate a Zn interstitial, besides the ideal octahedral interstice. Y tetrahedral interstitials evolve to [0001] Y-Mg dumbbells. Moreover, an Y atom can form a crowdion between two neighboring Mg atoms along the <20<(2)over bar>3> direction. In particular, small clusters consisting of various point defects were observed, providing direct evidence for enthalpy-driven clustering of point defects, which may have implications for atomic-scale understanding of nucleation mechanisms of strengthening precipitates.
部门归属	[yang, z. q. ; ma, s. y. ; hu, q. m. ; ye, h. q.] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china ; [yang, z. q. ; chisholm, m. f.] oak ridge natl lab, mat sci & technol div, oak ridge, tn 37831 usa
关键词	Interstitial Crowdion Dumbbell Aberration-corrected Electron Microscopy Density Functional Theory
学科领域	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering ; Materials Science, Characterization & Testing
资助者	National Natural Science Foundation of China [51371178, 51390473]; Liaoning Province [2015020237]; Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; DOE Office of Science User Facility
收录类别	SCI
语种	英语
WOS记录号	WOS:000405881200029
引用统计	被引频次：10[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/78098
专题	中国科学院金属研究所
通讯作者	Yang, ZQ (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
推荐引用方式 GB/T 7714	Yang, Z. Q.,Ma, S. Y.,Hu, Q. M.,et al. Direct observation of solute interstitials and their clusters in Mg alloys[J]. MATERIALS CHARACTERIZATION,2017,128:226-231.
APA	Yang, Z. Q.,Ma, S. Y.,Hu, Q. M.,Ye, H. Q.,Chisholm, M. F.,&Yang, ZQ .(2017).Direct observation of solute interstitials and their clusters in Mg alloys.MATERIALS CHARACTERIZATION,128,226-231.
MLA	Yang, Z. Q.,et al."Direct observation of solute interstitials and their clusters in Mg alloys".MATERIALS CHARACTERIZATION 128(2017):226-231.