Ab-Initio Study of the Role of Mg2Si and Al2CuMg Phases in Electrochemical Corrosion of Al Alloys

IMR OpenIR

	Ab-Initio Study of the Role of Mg2Si and Al2CuMg Phases in Electrochemical Corrosion of Al Alloys
	Qin, Yi-Fa; Wang, Shao-Qing; yfqin10s@imr.ac.cn
	2015
发表期刊	JOURNAL OF THE ELECTROCHEMICAL SOCIETY
ISSN	0013-4651
卷号	162 期号:9 页码:C503-C508
摘要	By using first-principles density-functional theory with generalized-gradient approximation, we calculate the work functions of various crystal planes of Mg2Si and Al2CuMg phases which are common in Al alloys. The correlation between work functions and the behavior of local corrosion for the two phases in Al alloys is explored. It is found that the work functions of the two phases are influenced significantly by the element termination on the surface. If Mg atoms are exposed to the outmost layer, both phases have low work functions (Phi) approaching pure Mg; else if terminating atoms are highly electronegative, for instance, Si atoms, the work functions are high. There is a huge gap between the maximum and minimum work functions for these phases due to the variety of surface terminations, consequently the Volta potential difference between Mg2Si or Al2CuMg particles and Al matrix could be positive or negative. As a result, particles of both phases could act as cathode or anode, or even reverse roles in Al alloy local corrosion. (C) 2015 The Electrochemical Society. All rights reserved.
部门归属	[qin, yi-fa ; wang, shao-qing] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china
资助者	National Basic Research Program of China [2011CB606403]; Informalization Construction Project of Chinese Academy of Sciences [INFO-115-B01]
收录类别	sci
语种	英语
WOS记录号	WOS:000359177100046
引用统计	被引频次：24[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/321006/74606
专题	中国科学院金属研究所
通讯作者	yfqin10s@imr.ac.cn
推荐引用方式 GB/T 7714	Qin, Yi-Fa,Wang, Shao-Qing,yfqin10s@imr.ac.cn. Ab-Initio Study of the Role of Mg2Si and Al2CuMg Phases in Electrochemical Corrosion of Al Alloys[J]. JOURNAL OF THE ELECTROCHEMICAL SOCIETY,2015,162(9):C503-C508.
APA	Qin, Yi-Fa,Wang, Shao-Qing,&yfqin10s@imr.ac.cn.(2015).Ab-Initio Study of the Role of Mg2Si and Al2CuMg Phases in Electrochemical Corrosion of Al Alloys.JOURNAL OF THE ELECTROCHEMICAL SOCIETY,162(9),C503-C508.
MLA	Qin, Yi-Fa,et al."Ab-Initio Study of the Role of Mg2Si and Al2CuMg Phases in Electrochemical Corrosion of Al Alloys".JOURNAL OF THE ELECTROCHEMICAL SOCIETY 162.9(2015):C503-C508.