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• W4385618234 abstract "Twinning is a deformation mechanism that creates three-dimensional (3D) twin domains through the migration of twin facets. This occurs via the nucleation and glide of twinning disconnections (TDs), which can pile up to create twin facets. A comprehensive understanding of twin facets associated with 3D twins, including their atomic structures and energies, is crucial for understanding deformation twinning. In this study, we propose a molecular statics/dynamics (MS/MD) approach to determine characteristic twin facets enclosing 3D non-equilibrium/equilibrium {1¯011} twin domains, which has been much less studied than the counterpart {1¯012} twin domains. The stability of different TD pile-up arrangement with varying line senses informs the morphology of 3D non-equilibrium twins, which are bounded by {101¯0}T||{1¯013}M, {101¯1}T||{0002}M and {101¯3}T||{101¯3}M coherent facets associated with pile-up of edge TDs, and discrete non-edge TDs aligned along CTBs with their line senses parallel to <45¯13>, <11¯01>, <54¯1¯6> <21¯1¯3>or <101¯2> axes. Formation of semi-coherent facets of equilibrium twins is accompanied by rearrangement of TDs around misfit dislocations. 3D equilibrium {1¯011} twins may comprise {101¯1}T||{0002}M, {145¯7}T||{34¯19}M, {1¯65¯7}T||{56¯17}M, {1¯43¯3}T||{34¯13}M, {011¯0}T||{011¯1}M and {02¯21}T||{02¯21}M semi-coherent facets in <12¯10>, <45¯13>, <11¯01>, <54¯1¯6>, <21¯1¯3> and <101¯2> axes, respectively." @default.
• W4385618234 created "2023-08-07" @default.
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• W4385618234 date "2023-08-01" @default.
• W4385618234 modified "2023-10-12" @default.
• W4385618234 title "Atomistic simulations of twin facets associated with three-dimensional {<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML altimg=si1.svg><mml:mrow><mml:mover accent=true><mml:mn>1</mml:mn><mml:mo>¯</mml:mo></mml:mover><mml:mn>011</mml:mn></mml:mrow></mml:math>} twins in magnesium" @default.
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• W4385618234 doi "https://doi.org/10.1016/j.jma.2023.07.004" @default.
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