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
其他题名	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
发表期刊	ACTA METALLURGICA SINICA
ISSN	0412-1961
卷号	47 期号:8 页码:1080-1085
摘要	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.
关键词	CLUSTERS TiAl alloy film molecular dynamics simulation interface
收录类别	CSCD
语种	英语
资助项目	[National Basic Research Program of China] ; [Fundamental Research Funds for the Central University]
CSCD记录号	CSCD:4340844
引用统计	被引频次：1[CSCD] [CSCD记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/152225
专题	中国科学院金属研究所
作者单位	中国科学院金属研究所
推荐引用方式 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.