| First-principles study on the ductility effect of zirconium and its distinct behavior from boron to restrain hydrogen-induced embrittlement in Ni-Ni3Al alloys | |
| Y. Wu; Y. M. Wang | |
| 2008 | |
| Source Publication | Journal of Materials Science & Technology
 |
| ISSN | 1005-0302 |
| Volume | 24Issue:2Pages:165-171 |
| Abstract | 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. |
| description.department | [wu, yuxi; wang, yuanming] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [wu, yuxi] anhui univ technol, grad sch ahut, maanshan 243002, peoples r china.;wang, ym (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china;ymwang@imr.ac.cn |
| Keyword | Interface Occupation Behavior Embrittlement Ductility Grain-boundary Cohesion Environmental Embrittlement Electronic-structure Polycrystalline Ni3al Ni/ni3al Interface Molecular Cluster Lattice Misfit Segregation Impurities Strength |
| URL | 查看原文 |
| WOS ID | WOS:000254637200006 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/33218 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation 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. |
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