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Molecular dynamics study on the melting phase transition of aluminum clusters with around 55 atoms
Zhang, W(张伟); Zhang, FS(张丰收); Zhu, ZY(朱志远); Zhang, W (reprint author), Beijing Normal Univ, Key Lab Beam Technol & Mat Modificat, Minist Educ, Inst Low Energy Nucl Phys, Beijing 100875, Peoples R China
2006
Source PublicationPHYSICAL REVIEW B
ISSN1098-0121
Volume74Issue:3
AbstractHeat capacities of aluminum clusters with around 55 atoms are investigated using extremely long constant-energy molecular dynamics simulations with an empirical many-body interaction potential. Different isomers are taken as the initial structures and found to anneal into the lowest-energy structure before melting during the temperature increase. The heat capacities of different isomers were found to be the same at low temperatures. Dips that emerged in the heat capacities in the previous experiment are not found.
Subject AreaPhysics
Indexed BySCI
Language英语
Funding Project应物所项目组
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/8318
Collection中科院上海应用物理研究所2004-2010年
Corresponding AuthorZhang, W (reprint author), Beijing Normal Univ, Key Lab Beam Technol & Mat Modificat, Minist Educ, Inst Low Energy Nucl Phys, Beijing 100875, Peoples R China
Recommended Citation
GB/T 7714
Zhang, W,Zhang, FS,Zhu, ZY,et al. Molecular dynamics study on the melting phase transition of aluminum clusters with around 55 atoms[J]. PHYSICAL REVIEW B,2006,74(3).
APA Zhang, W,Zhang, FS,Zhu, ZY,&Zhang, W .(2006).Molecular dynamics study on the melting phase transition of aluminum clusters with around 55 atoms.PHYSICAL REVIEW B,74(3).
MLA Zhang, W,et al."Molecular dynamics study on the melting phase transition of aluminum clusters with around 55 atoms".PHYSICAL REVIEW B 74.3(2006).
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