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Atomistic simulation study of Zr segregation at the Ni3Al grain boundary
Zheng, LP; Qiu, S; Yu, LP(余礼平); Zhang, HY(张虎勇); Jiang, BY; Li, DX
2001
Source PublicationJOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN1005-0302
Volume17Pages:S13
AbstractThe embedded atom method(EAM) is applied to calculate concentration distributions of Zr, Ni and Al at a Ni3Al-3 at. pct Zr grain boundary, and the Zr-induced distortion energies at the grain boundary, the bulk and the free surface. The calculated concentration distributions show that Zr segregation is present with Al-depletion and Ni-enrichment at the grain boundary. The reason might be that at the same zone, the Zr-induced distortion energy in the site of Al is always negative and lower than that of Ni, and that the Zr-induced distortion energy in the Al site at the grain boundary is the lowest among those at all zones.
Indexed BySCI
Language英语
Funding Project应物所项目组
WOS IDWOS:000172126300003
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/9879
Collection中科院上海原子核所2003年前
Recommended Citation
GB/T 7714
Zheng, LP,Qiu, S,Yu, LP,et al. Atomistic simulation study of Zr segregation at the Ni3Al grain boundary[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2001,17:S13.
APA Zheng, LP,Qiu, S,Yu, LP,Zhang, HY,Jiang, BY,&Li, DX.(2001).Atomistic simulation study of Zr segregation at the Ni3Al grain boundary.JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,17,S13.
MLA Zheng, LP,et al."Atomistic simulation study of Zr segregation at the Ni3Al grain boundary".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 17(2001):S13.
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