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Electronic structure of Sigma 5[100] grain boundary and doping effect in iron
Song, Q; Wang, C
Corresponding AuthorSong, Q()
1999
Source PublicationINTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98
ISSN0255-5476
Volume294-2Pages:719-722
AbstractBased on CSL model and MD relaxation, the atomic structure of Sigma 5 [100] grain boundary in alpha-Fe are obtained. By using the tight-binding recursion method, the electronic structure and boron doping effect on Sigma 5 [100] grain boundary in alpha-Fe are investigated. The calculated results indicate that the boron enhances the atomic interaction between the host atoms on grain boundary, as well as between the boron and host atoms. The calculation of the energy of impurity segregation to grain boundary shows that the boron has the tendency to segregate onto the grain boundary, and can improve the cohesion of grain boundary.
Keywordelectronic structure grain boundary doping effect
Indexed BySCI
Language英语
WOS Research AreaMaterials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectMaterials Science, Ceramics ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000080081000166
PublisherTRANSTEC PUBLICATIONS LTD
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/110126
Collection中国科学院金属研究所
Corresponding AuthorSong, Q
Affiliation1.Cent Iron & Steel Res Inst, CN-100081 Beijing, Peoples R China
2.Acad Sinica, Int Ctr Mat Phys, CN-110015 Shenyang, Peoples R China
Recommended Citation
GB/T 7714
Song, Q,Wang, C. Electronic structure of Sigma 5[100] grain boundary and doping effect in iron[J]. INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98,1999,294-2:719-722.
APA Song, Q,&Wang, C.(1999).Electronic structure of Sigma 5[100] grain boundary and doping effect in iron.INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98,294-2,719-722.
MLA Song, Q,et al."Electronic structure of Sigma 5[100] grain boundary and doping effect in iron".INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98 294-2(1999):719-722.
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