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On the atomic structure of an asymmetrical near Sigma=27 grain boundary in copper

Abstract : The atomic structure of an asymmetrical near Sigma = 27 {525} tilt grain boundary (GB) in copper is determined by coupling high-resolution transmission electron microscopy and molecular dynamics simulation. The average GB plane is parallel to {414} in crystal (1) and {343} in crystal (2). The detailed GB structure shows that it is composed of facets always parallel to {101} and {111} in crystals (1) and (2), respectively. The atomic structure of one facet is described using the structural units model. Each facet is displaced with respect to its neighbours by a pure step, giving rise to the asymmetry of the GB plane orientation. The energy of this asymmetrical GB is significantly lower than that of both the {525} symmetrical and the {11,1,11}/{111} asymmetrical Sigma = 27 GBs. One GB region displays another atomic structure with a dislocation that accounts for the misfit between interatomic distances in the {414} and {343} GB planes.
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http://hal.in2p3.fr/in2p3-00685328
Contributor : Christine Hadrossek <>
Submitted on : Wednesday, April 4, 2012 - 5:14:28 PM
Last modification on : Wednesday, November 11, 2020 - 3:52:02 AM

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J.P. Couzinie, O.H. Duparc, S. Lartigue-Korinek, J. Thibault-Penisson, B. Decamps, et al.. On the atomic structure of an asymmetrical near Sigma=27 grain boundary in copper. Philosophical Magazine Letters, Taylor & Francis, 2009, 89, pp.757-767. ⟨10.1080/09500830903282925⟩. ⟨in2p3-00685328⟩

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