First-principles study on the effects of twin boundaries on anodic dissolution of Mg

doi:10.1103/PhysRevMaterials.3.053806

IMR OpenIR

	First-principles study on the effects of twin boundaries on anodic dissolution of Mg
	Ma, Hui 1,2; Liu, Min 1,2; Chen, Weiliang 1,2,3; Wang, Changgang 1,2; Chen, Xing-Qiu 1,2; Dong, Junhua 1,2; Ke, Wei 1,2
通讯作者	Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn) ; Dong, Junhua(jhdong@imr.ac.cn)
	2019-05-17
发表期刊	PHYSICAL REVIEW MATERIALS
ISSN	2475-9953
卷号	3 期号:5 页码:11
摘要	Known experiments revealed that various deformation-induced defects in wrought Mg-based alloys indeed accelerate the corrosion rate. In particular, for Mg-based alloys the twinning mode under plastic deformation is the usually and more easily occurring one than other defects. However, to date it has been very difficult to study the specific effect of twin boundaries (TBs) on the corrosion behavior of Mg-based alloys due to the coexistence of other defects in wrought alloy. Here, through first-principles calculations we have theoretically investigated the effects of TBs on the anodic dissolutions of Mg metal. It has been found that the presence of various TBs (TB1{10 (1) over bar1}[1 (2) over bar 10], TB2 {10 (1) over bar2}[1 (2) over bar 10], or TB3 {10 (1) over bar3}[1 (2) over bar 10]) accelerates the corrosion rate and the TB-induced accelerations of the corrosion current density are indeed correlated with the TB interfacial length per area. Physically, the existence of the TBs on the specified surfaces increases the surface energy density, which implies that atoms at various TB-containing surfaces become less stable in energy as compared with the TB-free surface. In addition, we have analyzed that some alloying elements (As, Cd, Hg, Zn, and Sn) in combination with TBs can reduce the anodic dissolution rate, potentially enhancing the corrosion resistance of Mg-based alloys.
资助者	National Science Fund for Distinguished Young Scholars ; National Key Research and Development Program of China
DOI	10.1103/PhysRevMaterials.3.053806
收录类别	SCI
语种	英语
资助项目	National Science Fund for Distinguished Young Scholars[51725103] ; National Key Research and Development Program of China[2017YFB0702302] ; [TZ2016004]
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000468238100005
出版者	AMER PHYSICAL SOC
引用统计	被引频次：23[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/321006/133515
专题	中国科学院金属研究所
通讯作者	Chen, Xing-Qiu; Dong, Junhua
作者单位	1.Chinese Acad Sci, Inst Met Res, Environm Corros Ctr, Shenyang 110016, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci SYNL, Shenyang 110016, Peoples R China 3.Northeastern Univ, Sch Met, Shenyang 110819, Liaoning, Peoples R China
推荐引用方式 GB/T 7714	Ma, Hui,Liu, Min,Chen, Weiliang,et al. First-principles study on the effects of twin boundaries on anodic dissolution of Mg[J]. PHYSICAL REVIEW MATERIALS,2019,3(5):11.
APA	Ma, Hui.,Liu, Min.,Chen, Weiliang.,Wang, Changgang.,Chen, Xing-Qiu.,...&Ke, Wei.(2019).First-principles study on the effects of twin boundaries on anodic dissolution of Mg.PHYSICAL REVIEW MATERIALS,3(5),11.
MLA	Ma, Hui,et al."First-principles study on the effects of twin boundaries on anodic dissolution of Mg".PHYSICAL REVIEW MATERIALS 3.5(2019):11.