The molecular dynamics method is used to investigate an atomic configuration in the structure of asymmetric tilted grain boundaries for the ordered CuAu I alloy with FCT symmetry and L10 structure. Investigations are performed for three misorientation angles: 7, 16, and 22° and grain boundaries with <100 > and <001 > tilt axes. The distinctive features of the structural grain boundary reorganization and diffusion mechanisms are elucidated at different temperatures.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 41–52, September, 2011.
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Starostenkov, M.D., Rakitin, R.Y. Atomic configurations and diffusion mechanisms near the asymmetric grain boundaries in tetragonal CuAu I alloy with <100 > and <001 > tilt axes. Russ Phys J 54, 994–1005 (2012). https://doi.org/10.1007/s11182-012-9708-6
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DOI: https://doi.org/10.1007/s11182-012-9708-6