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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 AuthorPeng, P(ppeng@imr.ac.cn)
2003-07-11
Source PublicationACTA METALLURGICA SINICA
ISSN0412-1961
Volume39Issue:7Pages:673-678
AbstractBy 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.
KeywordAg nano-particle melting DV-X-alpha method electronic structure
Indexed BySCI
Language英语
WOS Research AreaMetallurgy & Metallurgical Engineering
WOS SubjectMetallurgy & Metallurgical Engineering
WOS IDWOS:000184627200001
PublisherSCIENCE PRESS
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/116573
Collection中国科学院金属研究所
Corresponding AuthorPeng, P
Affiliation1.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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