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Quantitative HREM observation of the Σ11(113)/[1¯10] grain‐boundary structure in aluminium and comparison with atomistic simulation
Author(s) -
King W. E.,
Campbell G. H.,
Foiles S. M.,
Cohen D.,
Hanson K. M.
Publication year - 1998
Publication title -
journal of microscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.569
H-Index - 111
eISSN - 1365-2818
pISSN - 0022-2720
DOI - 10.1046/j.1365-2818.1998.3320899.x
Subject(s) - materials science , aluminium , statistical physics , resolution (logic) , grain boundary , yield (engineering) , experimental data , computational physics , microstructure , physics , computer science , mathematics , statistics , metallurgy , artificial intelligence
Quantitative high‐resolution electron microscopy (QHREM) involves the detailed comparison of experimental high‐resolution images with image simulation based on a model and weighted by the estimated uncertainty in the experimental results. For simple metals, such as Al, models have been systematically improved using nonlinear least‐squares methods to obtain simulated images that are indistinguishable from experimental images within the experimental error. QHREM has been used to study the atomic structure of the Σ11(113)/[1¯10] in Al. In this paper, we focus on the method of refining electron‐optical imaging parameters and atomic structure to bring the simulated HREM image into agreement with the experimental result to within the experimental error and thus yield a result more useful to the materials scientist. Uncertainties in fitted parameters are studied using the conditional probability distribution function. We discuss experimental results for atomic column locations compared with atomistic simulations of the structure of the grain boundary.