CAS OpenIR  > 中科院上海应用物理研究所2004-2010年
On the melting phase transition of aluminum clusters around 55 atoms
Zhang, W; Zhang, FS; Zhu, ZY(朱志远)
2007
Conference Name13th International Symposium on Small Particles and Inorganic Clusters
Source PublicationEUROPEAN PHYSICAL JOURNAL D
Pages97
Conference DateJUL 23-28, 2006
Conference PlaceGoteborg, SWEDEN
AbstractMelting phase transition of atomic clusters has attracted a lot of interest in the last several decades due to their peculiar behaviors different from their bulk counterpart. Investigation of this kind of phase transition leads to the understanding of thermodynamics of finite systems. Recent progress in the experiments measuring thermodynamic properties of sized-selected atomic clusters has motivated the theoretical research interest in this area. In this report, heat capacities of aluminum clusters with around 55 atoms are investigated using extremely long constant energy molecular dynamics simulation with empirical many-body interaction potential. Some features of the heat capacity can be interpreted by the energy spectra obtained from quenches along the trajectories. Dips that emerged in the heat capacities in the previous experiment are not found. Different isomers are taken as the initial structures and found to anneal into the lowest energy structure before melting during the temperature increasing process.
ISSN1434-6060
Indexed BySCI
Funding Project应物所课题组
Language英语
Document Type会议论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/8877
Collection中科院上海应用物理研究所2004-2010年
Recommended Citation
GB/T 7714
Zhang, W,Zhang, FS,Zhu, ZY. On the melting phase transition of aluminum clusters around 55 atoms[C],2007:97.
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