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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
Source PublicationJOURNAL OF THE ELECTROCHEMICAL SOCIETY
ISSN0013-4651
Volume162Issue:9Pages:C503-C508
AbstractBy 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.
description.department[qin, yi-fa ; wang, shao-qing] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china
Funding OrganizationNational Basic Research Program of China [2011CB606403]; Informalization Construction Project of Chinese Academy of Sciences [INFO-115-B01]
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/74606
Collection中国科学院金属研究所
Corresponding Authoryfqin10s@imr.ac.cn
Recommended Citation
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.
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