First-principles study on the ductility effect of zirconium and its distinct behavior from boron to restrain hydrogen-induced embrittlement in Ni-Ni3Al alloys
文献类型：期刊论文
| 作者 | Y. Wu ; Y. M. Wang |
| 刊名 | Journal of Materials Science & Technology
 |
| 出版日期 | 2008 |
| 卷号 | 24期号:2页码:165-171 |
| 关键词 | interface occupation behavior embrittlement ductility grain-boundary cohesion environmental embrittlement electronic-structure polycrystalline ni3al ni/ni3al interface molecular cluster lattice misfit segregation impurities strength |
| ISSN号 | 1005-0302 |
| 中文摘要 | By studying a cluster model containing Ni region (phase), Ni3Al region (phase) and Ni/Ni3Al region (interface) with a first-principles method, the occupation behavior and the ductility effect of zirconium in a Ni-Ni3Al system were investigated. It is found that zirconium has a stronger segregation tendency to Ni region than to Ni3Al region. The bond order analyses based on Rice-Wang model and the maximum theoretical shear stress model, however, show that zirconium has different degrees of ductility effect in these three regions, which originates from its different ability to increase the Griffith work of interfacial cleavage 2(gamma int) and to decrease the maximum theoretical shear stress tau(max). In addition, it is revealed in this paper that the distinct behavior of zirconium from boron to restrain hydrogen-induced embrittlement can be attributed to their different influences on the crystalline and electronic structures in Ni-Ni3Al alloys. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33218]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Y. Wu,Y. M. Wang. First-principles study on the ductility effect of zirconium and its distinct behavior from boron to restrain hydrogen-induced embrittlement in Ni-Ni3Al alloys[J]. Journal of Materials Science & Technology,2008,24(2):165-171. |
| APA | Y. Wu,&Y. M. Wang.(2008).First-principles study on the ductility effect of zirconium and its distinct behavior from boron to restrain hydrogen-induced embrittlement in Ni-Ni3Al alloys.Journal of Materials Science & Technology,24(2),165-171. |
| MLA | Y. Wu,et al."First-principles study on the ductility effect of zirconium and its distinct behavior from boron to restrain hydrogen-induced embrittlement in Ni-Ni3Al alloys".Journal of Materials Science & Technology 24.2(2008):165-171. |
入库方式： OAI收割
来源：金属研究所
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