Phase stability comparison by first principle calculation and experimental observation of microstructure evolution in a Mg-6Gd-2Zn(wt%) alloy

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	Phase stability comparison by first principle calculation and experimental observation of microstructure evolution in a Mg-6Gd-2Zn(wt%) alloy
	L. Lin; P. Liang; L. Yang; L. J. Chen; Z. Liu; Y. M. Wang
	2010
发表期刊	Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing
ISSN	0921-5093
卷号	527 期号:10-11 页码:2643-2648
摘要	The microstructure of a Mg-6Gd-2Zn(wt%) alloy was investigated by SEM and TEM observations; phase stability comparison was performed by first principle calculation. The long periodic structure (LPS) was found to be transformed from the Mg(3)Gd phase when subjected to solution treatment at 723 K for 6 h plus aging treatment at 633 K for 8 h. When aged at 503 K for 36 h after solution treatment, the LPS phase transformed to the much more stable Mg(3)Gd phase. The calculations of cohesive energy and formation enthalpy shown that the Mg(3)Gd phase is more stable in comparison with the LPS phase; the analyses on DOS (density of states) distributions proved that Zn alloying makes the LPS phase less stable due to p-d hybridization of valence electrons. (C) 2010 Elsevier B.V. All rights reserved.
部门归属	[lin, l.; liang, p.; yang, l.; chen, l. j.; liu, z.] shenyang univ technol, sch mat sci & engn, shenyang 110870, peoples r china. [wang, y. m.] china acad sci, inst met res, shenyang 110016, peoples r china.;lin, l (reprint author), shenyang univ technol, sch mat sci & engn, shenyang 110870, peoples r china;linli-1969@126.com
关键词	Magnesium Alloy Heat-treatment Microstructure Evolution Phase Transformation Ab Initio Calculation Period Ordered Structure Transmission Electron-microscopy Total-energy Calculations Mg-gd Alloys Y-zr Alloys High-temperature Mechanical-properties Precipitate Phases Tensile Properties Wt.percent Alloy
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WOS记录号	WOS:000276137600026
引用统计	被引频次：8[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31263
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. Lin,P. Liang,L. Yang,et al. Phase stability comparison by first principle calculation and experimental observation of microstructure evolution in a Mg-6Gd-2Zn(wt%) alloy[J]. Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing,2010,527(10-11):2643-2648.
APA	L. Lin,P. Liang,L. Yang,L. J. Chen,Z. Liu,&Y. M. Wang.(2010).Phase stability comparison by first principle calculation and experimental observation of microstructure evolution in a Mg-6Gd-2Zn(wt%) alloy.Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing,527(10-11),2643-2648.
MLA	L. Lin,et al."Phase stability comparison by first principle calculation and experimental observation of microstructure evolution in a Mg-6Gd-2Zn(wt%) alloy".Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing 527.10-11(2010):2643-2648.