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. Author manuscript; available in PMC: 2020 Sep 18.
Published in final edited form as: Nature. 2020 Mar 18;579(7799):375–378. doi: 10.1038/s41586-020-2082-6

Extended Data Fig. 3. Linking atomic resolution observations and structure prediction.

Extended Data Fig. 3

a, Aberration corrected HAADF-STEM image of the symmetric Σ19b (178) [11-1] pearl phase. Its structural unit is highlighted in the inset. b, Color coding of the experimental grain boundary structure based on atomic column peak intensities. c-e, Simulated STEM images of the predicted grain boundary structures by USPEX for a sample thickness of 22 nm. The same color coding as in b was applied. c, Lowest energy structure with GB energy of 0.835 J/m2 and [n] = 0, d, medium energy GB with 0.932 J/m2 and e, high energy GB with 1.023 J/m2, both with [n] = 0.5. The scale bar is 1 nm in all images.