First-principles study of the influence of lattice misfit on the segregation behaviors or hydrogen and boron in the Ni-Ni3Al system
文献类型：期刊论文
| 作者 | Y. X. Wu ; X. Y. Li ; Y. M. Wang |
| 刊名 | Acta Materialia
 |
| 出版日期 | 2007 |
| 卷号 | 55期号:14页码:4845-4852 |
| 关键词 | interface embrittlement ductility lattice misfit first-principles nickel-base superalloy grain-boundary cohesion single-crystal superalloys polycrystalline ni3al electronic-structure environmental embrittlement ni/ni3al interface creep deformation fracture ni |
| ISSN号 | 1359-6454 |
| 中文摘要 | A first-principles method is employed to investigate the segregation behaviors of hydrogen and boron in Ni-based and Ni3Al-based alloys using two models. Chemical binding energy analysis shows that both boron and hydrogen are able to segregate to the interstices in the Ni phase, Ni3Al phase and Ni/Ni3Al interface. Boron, however, is bound to its neighbor atoms more tightly than hydrogen in both models and its stable state exists over a broader lattice misfit range compared with hydrogen. The bond order analysis we have proposed reveals the origin of the boron-induced ductility and hydrogen-induced embrittlement at the Ni/Ni3Al interface with different lattice misfit. The calculations indicate that hydrogen causes more severe embrittlement at the Ni/Ni3Al interface in Ni3Al-based than in Ni-based alloys. Furthermore, it is found that the boron-induced ductility and hydrogen-induced embrittlement are changed, and thus controllable, by the lattice misfit. Our results provide a quantitative explanation of many experimental phenomena caused by the addition of boron and hydrogen to Ni-based and Ni3Al-based alloys. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33931]  |
| 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. X. Wu,X. Y. Li,Y. M. Wang. First-principles study of the influence of lattice misfit on the segregation behaviors or hydrogen and boron in the Ni-Ni3Al system[J]. Acta Materialia,2007,55(14):4845-4852. |
| APA | Y. X. Wu,X. Y. Li,&Y. M. Wang.(2007).First-principles study of the influence of lattice misfit on the segregation behaviors or hydrogen and boron in the Ni-Ni3Al system.Acta Materialia,55(14),4845-4852. |
| MLA | Y. X. Wu,et al."First-principles study of the influence of lattice misfit on the segregation behaviors or hydrogen and boron in the Ni-Ni3Al system".Acta Materialia 55.14(2007):4845-4852. |
入库方式： OAI收割
来源：金属研究所
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