Interaction between hydrogen and the alloying atom in palladium
文献类型：期刊论文
| 作者 | Y. J. Li ; S. E. Kulkova ; Q. M. Hu ; D. I. Bazhanov ; D. S. Xu ; Y. L. Hao ; R. Yang |
| 刊名 | Physical Review B
 |
| 出版日期 | 2007 |
| 卷号 | 76期号:6 |
| 关键词 | solid-solutions vanadium diffusivity niobium metal |
| ISSN号 | 1098-0121 |
| 中文摘要 | The interaction energies between interstitial hydrogen and 3d- as well as 4d-alloying atoms in Pd were calculated by the use of a first-principles plane-wave pesudopotential method. The calculation results show that almost all the considered alloying atoms are repulsive to hydrogen. For the interaction between H and a noble metal alloying atom that binds weakly to the host atom relative to the host atom itself, the traditional elastic model, proposed in the literature to address the interaction between the substitutional and interstitial atoms in metals, works well. However, for the transition metal atom which binds strongly to the host atom, the interaction energy cannot be explained by the traditional chemical/elastic models. We considered that this failure is due to the absence of binding between the alloying and host atoms. We proposed that, for these transition metal alloying atoms, the interaction energy is controlled by a mechanism similar to Miedema's "reverse stability" rule, i.e., the larger the binding energy of the alloys, the stronger the repulsion between the alloying atom and H. The calculated interaction energies were compared to the available experimental information. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33663]  |
| 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. J. Li,S. E. Kulkova,Q. M. Hu,et al. Interaction between hydrogen and the alloying atom in palladium[J]. Physical Review B,2007,76(6). |
| APA | Y. J. Li.,S. E. Kulkova.,Q. M. Hu.,D. I. Bazhanov.,D. S. Xu.,...&R. Yang.(2007).Interaction between hydrogen and the alloying atom in palladium.Physical Review B,76(6). |
| MLA | Y. J. Li,et al."Interaction between hydrogen and the alloying atom in palladium".Physical Review B 76.6(2007). |
入库方式： OAI收割
来源：金属研究所
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