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 <202−3> 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.
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