The microstructure, stability, and elastic properties of 14H long-period stacking-ordered phase in Mg-Zn-Y alloys: a first-principles study

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	The microstructure, stability, and elastic properties of 14H long-period stacking-ordered phase in Mg-Zn-Y alloys: a first-principles study
	S. Y. Ma; L. M. Liu; S. Q. Wang
	2014
发表期刊	Journal of Materials Science
ISSN	0022-2461
卷号	49 期号:2 页码:737-748
摘要	The long-period stacking-ordered (LPSO) phases were demonstrated to be the predominant strengthening phases that can significantly improve the mechanical properties of Mg-Zn-Y alloys. However, the mechanism underlying this improvement has not been satisfyingly understood yet due to unclear characterization of the microstructures of these LPSO phases. We proposed the reliable structural model of Mg142Zn12Y16 for 14H LPSO phase formed in Mg-Zn-Y alloys with first-principles calculations in this study. The space group of Mg142Zn12Y16 is P6(3)/mcm, with lattice dimensions a = b = 11.168 angstrom, c = 36.408 angstrom, alpha = beta = 90 degrees, and gamma = 120 degrees. And the atomic sites were given in this work. In contrast to other structural models proposed in previous studies, 14H LPSO phase was predicted to be thermodynamically stable on the basis of the present structural model, which can well account for the stability of 14H LPSO phases at higher temperature. Furthermore, the elastic constants and elastic moduli of 14H LPSO phase were also evaluated based on the present structural model. The calculated Young's modulus of 14H LPSO phase agrees well with the available experimental values. The characteristics of 14H LPSO phase observed in experiments were successfully reproduced using the present structural model. The good match between the calculations and the experiments validates the reliability of the structural model proposed for 14H LPSO phase.
部门归属	[ma, shang-yi ; wang, shao-qing] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [liu, li-min] china acad engn phys, beijing computat sci res ctr, beijing 100084, peoples r china. [liu, li-min] chengdu green energy & green mfg technol r&d ctr, chengdu 610207, peoples r china. ; ma, sy (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; shyma@imr.ac.cn
关键词	Total-energy Calculations Wave Basis-set Mechanical-properties Magnesium Strength System Faults
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/72426
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Ma,L. M. Liu,S. Q. Wang. The microstructure, stability, and elastic properties of 14H long-period stacking-ordered phase in Mg-Zn-Y alloys: a first-principles study[J]. Journal of Materials Science,2014,49(2):737-748.
APA	S. Y. Ma,L. M. Liu,&S. Q. Wang.(2014).The microstructure, stability, and elastic properties of 14H long-period stacking-ordered phase in Mg-Zn-Y alloys: a first-principles study.Journal of Materials Science,49(2),737-748.
MLA	S. Y. Ma,et al."The microstructure, stability, and elastic properties of 14H long-period stacking-ordered phase in Mg-Zn-Y alloys: a first-principles study".Journal of Materials Science 49.2(2014):737-748.