| 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 Publication | MATERIALS CHARACTERIZATION
 |
| ISSN | 1044-5803 |
| Volume | 128Pages:226-231 |
| Abstract | 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. |
| 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 |
| Keyword | Interstitial Crowdion Dumbbell Aberration-corrected Electron Microscopy Density Functional Theory |
| Subject Area | Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering ; Materials Science, Characterization & Testing |
| Funding Organization | 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 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000405881200029 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/78098 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Yang, 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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