MOLECULAR DYNAMICS SIMULATION OF STRUCTURAL CHANGES IN Ti FILMS COVERING OVER THE TiAl ALLOY SUBSTRATE DURING HEATING

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	MOLECULAR DYNAMICS SIMULATION OF STRUCTURAL CHANGES IN Ti FILMS COVERING OVER THE TiAl ALLOY SUBSTRATE DURING HEATING
Alternative Title	MOLECULAR DYNAMICS SIMULATION OF STRUCTURAL CHANGES IN Ti FILMS COVERING OVER THE TiAl ALLOY SUBSTRATE DURING HEATING
	Zhang Lin; Li Wei; Liu Yongli; Sun Benzhe; Wang Jiaqing
	2011
Source Publication	ACTA METALLURGICA SINICA
ISSN	0412-1961
Volume	47 Issue:8 Pages:1080-1085
Abstract	Structural changes in Ti films covering over Ti or Al atomic layer on the TiAl substrate during heating were investigated by molecular dynamics simulations within the framework of embedded atom method (EAM). On the basis of analyses of bond-pair types, mean square displacements, atomic density functions, and atom packing in different shells, it is shown that the structural changes in the Ti film could involve several stages owing to atomic position interchanging. In addition, the Ti or Al layers play an important role in the structural changes in Ti films.
Keyword	CLUSTERS TiAl alloy film molecular dynamics simulation interface
Indexed By	CSCD
Language	英语
Funding Project	[National Basic Research Program of China] ; [Fundamental Research Funds for the Central University]
CSCD ID	CSCD:4340844
Citation statistics	Cited Times:1[CSCD] [CSCD Record]
Document Type	期刊论文
Identifier	http://ir.imr.ac.cn/handle/321006/152225
Collection	中国科学院金属研究所
Affiliation	中国科学院金属研究所
Recommended Citation GB/T 7714	Zhang Lin,Li Wei,Liu Yongli,et al. MOLECULAR DYNAMICS SIMULATION OF STRUCTURAL CHANGES IN Ti FILMS COVERING OVER THE TiAl ALLOY SUBSTRATE DURING HEATING[J]. ACTA METALLURGICA SINICA,2011,47(8):1080-1085.
APA	Zhang Lin,Li Wei,Liu Yongli,Sun Benzhe,&Wang Jiaqing.(2011).MOLECULAR DYNAMICS SIMULATION OF STRUCTURAL CHANGES IN Ti FILMS COVERING OVER THE TiAl ALLOY SUBSTRATE DURING HEATING.ACTA METALLURGICA SINICA,47(8),1080-1085.
MLA	Zhang Lin,et al."MOLECULAR DYNAMICS SIMULATION OF STRUCTURAL CHANGES IN Ti FILMS COVERING OVER THE TiAl ALLOY SUBSTRATE DURING HEATING".ACTA METALLURGICA SINICA 47.8(2011):1080-1085.

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