@article{Zeng2025, 
author = {Qiyu Zeng and Mingyu Gong and Houyu Ma and Yao Shen and Jian-feng Nie and Jian Wang and Yue Liu},
title = {Atomistic simulations of twin facets associated with three-dimensional {1011} twins in magnesium},
year = {2025},
journal = {Journal of Magnesium and Alloys},
volume = {13},
number = {2},
pages = {626-639},
keywords = {Twinning, Twin boundary, Twinning disconnection, Molecular dynamics},
url = {https://www.sciopen.com/article/10.1016/j.jma.2023.07.004},
doi = {10.1016/j.jma.2023.07.004},
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 {1011} twin domains, which has been much less studied than the counterpart {1012} 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 {1010}T||{1013}M, {1011}T||{0002}M and {1013}T||{1013}M coherent facets associated with pile-up of edge TDs, and discrete non-edge TDs aligned along CTBs with their line senses parallel to <4513>, <1101>, <5416> <2113>or <1012> axes. Formation of semi-coherent facets of equilibrium twins is accompanied by rearrangement of TDs around misfit dislocations. 3D equilibrium {1011} twins may comprise {1011}T||{0002}M, {1457}T||{3419}M, {1657}T||{5617}M, {1433}T||{3413}M, {0110}T||{0111}M and {0221}T||{0221}M semi-coherent facets in <1210>, <4513>, <1101>, <5416>, <2113> and <1012> axes, respectively.}
}