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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
Source PublicationMATERIALS CHARACTERIZATION
ISSN1044-5803
Volume128Pages:226-231
AbstractIndividual 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.
description.department[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
KeywordInterstitial Crowdion Dumbbell Aberration-corrected Electron Microscopy Density Functional Theory
Subject AreaMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering ; Materials Science, Characterization & Testing
Funding OrganizationNational 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
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/78098
Collection中国科学院金属研究所
Corresponding AuthorYang, ZQ (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
Recommended Citation
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.
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