First-principles investigation on environmental embrittlement of TiAl
文献类型：期刊论文
| 作者 | Y. Liu ; K. Y. Chen ; J. H. Zhang ; G. Lu ; Z. Q. Hu |
| 刊名 | Journal of Materials Research
 |
| 出版日期 | 1998 |
| 卷号 | 13期号:2页码:290-301 |
| 关键词 | grain-boundary embrittlement hydrogen-assisted cracking base alloys electronic-structure compound model 1st-principles dissociation temperature deformation |
| ISSN号 | 0884-2914 |
| 中文摘要 | To investigate the hydrogen embrittlement and Mn ductilization effects in TiAl, the electronic structures of pure, H-doped, rein-doped, and Mn, H-codoped TiAl have been studied by the first-principles discrete variational X-alpha calculations. Local environmental total bond order (LTBO), which is developed for the description of the cohesive properties in a local atom environment involving impurities, should be regarded as a new microscopic criterion for embrittlement. The larger LTBO presents the stronger cohesion and the better ductility of the system. Our results show that H obviously decreases LTBO while Mn increases it, which suggests H as an embrittler while Mn as a ductilizer. It is of key importance to understand hydrogen embrittlement in which hydrogen causes the weakening of its surrounding metal-metal bonds. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/37720]  |
| 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. Liu,K. Y. Chen,J. H. Zhang,et al. First-principles investigation on environmental embrittlement of TiAl[J]. Journal of Materials Research,1998,13(2):290-301. |
| APA | Y. Liu,K. Y. Chen,J. H. Zhang,G. Lu,&Z. Q. Hu.(1998).First-principles investigation on environmental embrittlement of TiAl.Journal of Materials Research,13(2),290-301. |
| MLA | Y. Liu,et al."First-principles investigation on environmental embrittlement of TiAl".Journal of Materials Research 13.2(1998):290-301. |
入库方式： OAI收割
来源：金属研究所
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