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Experimental reconstructions of 3D atomic structures from electron microscopy images using a Bayesian genetic algorithm

NPJ COMPUTATIONAL MATERIALS(2022)

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Abstract
We introduce a Bayesian genetic algorithm for reconstructing atomic models of monotype crystalline nanoparticles from a single projection using Z-contrast imaging. The number of atoms in a projected atomic column obtained from annular dark field scanning transmission electron microscopy images serves as an input for the initial three-dimensional model. The algorithm minimizes the energy of the structure while utilizing a priori information about the finite precision of the atom-counting results and neighbor-mass relations. The results show promising prospects for obtaining reliable reconstructions of beam-sensitive nanoparticles during dynamical processes from images acquired with sufficiently low incident electron doses.
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Key words
Characterization and analytical techniques,Imaging techniques,Transmission electron microscopy,Materials Science,general,Characterization and Evaluation of Materials,Mathematical and Computational Engineering,Theoretical,Mathematical and Computational Physics,Computational Intelligence,Mathematical Modeling and Industrial Mathematics
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