Covalent bonding analysis on the melting of Ag particle and Ag particle embedded in Ni matrix

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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
通讯作者	Peng, P(ppeng@imr.ac.cn)
	2003-07-11
发表期刊	ACTA METALLURGICA SINICA
ISSN	0412-1961
卷号	39 期号:7 页码:673-678
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.
关键词	Ag nano-particle melting DV-X-alpha method electronic structure
收录类别	SCI
语种	英语
WOS研究方向	Metallurgy & Metallurgical Engineering
WOS类目	Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000184627200001
出版者	SCIENCE PRESS
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/116573
专题	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.