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
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ISSN | 0412-1961 |
Volume | 47Issue:8Pages: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]
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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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