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The microstructue of the novel long period stacking ordered (LPSO) structure in Mg-Y-Zn alloy has been systematically studied based on the density functional theory. The lattice positions of the Y and Zn atoms are determined theoretically, it is shown that the additive atoms are firstly enriched in the stacking fault layers at the two ends, a small amount are distributed in the interior stacking fault layers of the structure. And the arrangement of these Y and Zn atoms trends to be along the diagonal line of the unit cell.
}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.031112.042312a}, url = {http://global-sci.org/intro/article_detail/jams/8226.html} }The microstructue of the novel long period stacking ordered (LPSO) structure in Mg-Y-Zn alloy has been systematically studied based on the density functional theory. The lattice positions of the Y and Zn atoms are determined theoretically, it is shown that the additive atoms are firstly enriched in the stacking fault layers at the two ends, a small amount are distributed in the interior stacking fault layers of the structure. And the arrangement of these Y and Zn atoms trends to be along the diagonal line of the unit cell.