کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1618804 1005712 2011 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Crystal structure of the mirror symmetry 10H-type long-period stacking order phase in Mg–Y–Zn alloy
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Crystal structure of the mirror symmetry 10H-type long-period stacking order phase in Mg–Y–Zn alloy
چکیده انگلیسی

The crystal structure of the 10H-type long-period stacking order structure in Mg–Y–Zn alloy was investigated by first-principle calculations. The calculated results show that the accurate positions and distinctive arrangement of Zn and Y atoms in the most stable 10H-type LPSO phase exhibit mirror symmetry with respect to the atomic layer C6, which agrees well with the experimental observations. Theoretical calculations still indicate that the mirror symmetry 10H-type ABACBCBCAB phase is not distorted, the lattice distortion of other LPSO phases may originate from the asymmetry of Zn element in the chemical order and stacking order. The obtained electronic density of states (DOS) reveals the underlying mechanism for mirror symmetry of 10H-LPSO phase.

Research highlights▶ 10H phase has the unique mirror symmetry with ABACBCBCAB stacking sequence. ▶ The special mirror symmetry of stacking sequences would be related to the distinctive atomic configurations and novel mechanical properties. ▶ The present theoretical calculations first reveal the unique feature of arrangement and distribution of Y and Zn atoms in the mirror symmetry 10H-type LPSO phase. ▶ Furthermore, it is found that the most stable 10H-type phase with mirror symmetry has not structural distortion, implying that the lattice distortion in the LPSO phase is likely to originate from the asymmetry of the Zn element in the chemical order as well as stacking order. ▶ Interestingly, the distribution of Zn and Y in the novel structure still provide useful cue to the inter-transformation between various LPSO structures.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 509, Issue 3, 21 January 2011, Pages 669–674
نویسندگان
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