First-principles study of alloying effect of transition metals on He in titanium ditritide
文献类型：期刊论文
| 作者 | Y. X. Wu ; R. Yang ; H. Zheng ; Y. M. Wang |
| 刊名 | Journal of Nuclear Materials
 |
| 出版日期 | 2006 |
| 卷号 | 354期号:1-3页码:36-48 |
| 关键词 | electronic population analysis molecular wave functions hydrogen storage alloys intermetallic hydride bubble formation iron clusters helium tritides lcao overlap |
| ISSN号 | 0022-3115 |
| 中文摘要 | Due to its inert reactivity with almost elements, He-3 produced from tritium decay has extremely detrimental effects on the tritide. To refrain from this He-3-induced damage, an efficient way is to increase the stability of He-3 in metal tritide by alloying. Using a first-principles discrete variational method in two cluster models, one for a low He-3 concentration and the other for a high He-3 concentration, the authors study the alloying effect of 3d and 4d transition metals on the stability of He-3 in TiT2 system. It is found that the preferring and metastable sites of He-3 are affected by He-3 concentration : He-3 prefers to stay at original tetrahedral interstitial site when He-3 concentration is low but moves to octahedral site when He-3 concentration is high enough. A criterion of alloying effect is proposed, according to which Nb, Y, Zr, Pd, Ru, Tc, Rh, Cr, Mo and Ag are suggested to be the beneficial alloying elements for increasing the stability of He-3 in the alloyed TiT2 with a low He-3 concentration and Y, Nb, Mo, Zr, Cr, Tc, Ru, Rh and Cu for that with a high He-3 concentration. Our results of alloying effect are supported by the positron annihilation spectroscopy (PAS) measurements for He-implanted Ti, TiMoYAl and TiZrYAl films. (c) 2006 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34586]  |
| 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,R. Yang,H. Zheng,et al. First-principles study of alloying effect of transition metals on He in titanium ditritide[J]. Journal of Nuclear Materials,2006,354(1-3):36-48. |
| APA | Y. X. Wu,R. Yang,H. Zheng,&Y. M. Wang.(2006).First-principles study of alloying effect of transition metals on He in titanium ditritide.Journal of Nuclear Materials,354(1-3),36-48. |
| MLA | Y. X. Wu,et al."First-principles study of alloying effect of transition metals on He in titanium ditritide".Journal of Nuclear Materials 354.1-3(2006):36-48. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。