Covalent bonding analysis on the melting of Ag particle and Ag particle embedded in Ni matrix
文献类型：期刊论文
| 作者 | Peng, P; Han, SC; Zheng, CX; Jin, ZH; Hu, ZQ |
| 刊名 | ACTA METALLURGICA SINICA
 |
| 出版日期 | 2003-07-11 |
| 卷号 | 39期号:7页码:673-678 |
| 关键词 | Ag nano-particle melting DV-X-alpha method electronic structure |
| ISSN号 | 0412-1961 |
| 通讯作者 | Peng, P(ppeng@imr.ac.cn) |
| 英文摘要 | By using the discrete variation X, (DV-X,,) method, the electronic and bonding structures of Ag particles with (100), (110) and (111) free surfaces and Ag-Ni semi-coherent interfaces were calculated in the framework of the nonrelativistic first-principles theory. Several bonding parameters such as the bond overlap population, the partial bond order of intra-layer and inter-layer as well the local environmental total bond order have been applied to characterize and analyze the melting of Ag free-surface and Ag-Ni semi-covalent interface. This investigation preliminarily reveals the electronic mechanism of pre-melting of free-standing Ag particles and superheating of Ag particles embedded in Ni matrix. And the pre-melting and superheating degree as well melting modes of Ag particles with (100), (110) and (111) free surfaces and Ag-Ni semi-coherent interfaces are also discussed and predicted. |
| WOS研究方向 | Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000184627200001 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.imr.ac.cn/handle/321006/116572]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Peng, P |
| 作者单位 | 1.Hunan Univ, Coll Mat Sci & Engn, Changsha 410082, Peoples R China 2.Chinese Acad Sci, Met Res Inst, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Peng, P,Han, SC,Zheng, CX,et al. Covalent bonding analysis on the melting of Ag particle and Ag particle embedded in Ni matrix[J]. ACTA METALLURGICA SINICA,2003,39(7):673-678. |
| APA | Peng, P,Han, SC,Zheng, CX,Jin, ZH,&Hu, ZQ.(2003).Covalent bonding analysis on the melting of Ag particle and Ag particle embedded in Ni matrix.ACTA METALLURGICA SINICA,39(7),673-678. |
| MLA | Peng, P,et al."Covalent bonding analysis on the melting of Ag particle and Ag particle embedded in Ni matrix".ACTA METALLURGICA SINICA 39.7(2003):673-678. |
入库方式： OAI收割
来源：金属研究所
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