| Covalent bonding analysis on the melting of Ag particle and Ag particle embedded in Ni matrix | |
| Peng, P; Han, SC; Zheng, CX; Jin, ZH; Hu, ZQ | |
| Corresponding Author | Peng, P(ppeng@imr.ac.cn) |
| 2003-07-11 | |
| Source Publication | ACTA METALLURGICA SINICA
 |
| ISSN | 0412-1961 |
| Volume | 39Issue:7Pages:673-678 |
| Abstract | 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. |
| Keyword | Ag nano-particle melting DV-X-alpha method electronic structure |
| Indexed By | SCI |
| Language | 英语 |
| WOS Research Area | Metallurgy & Metallurgical Engineering |
| WOS Subject | Metallurgy & Metallurgical Engineering |
| WOS ID | WOS:000184627200001 |
| Publisher | SCIENCE PRESS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/116573 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Peng, P |
| Affiliation | 1.Hunan Univ, Coll Mat Sci & Engn, Changsha 410082, Peoples R China 2.Chinese Acad Sci, Met Res Inst, Shenyang 110016, Peoples R China |
| Recommended Citation 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. |
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