Molecular dynamics study on the melting phase transition of aluminum clusters with around 55 atoms

被引：22
|
作者：
Zhang, Wei [1 ]
Zhang, Fengshou
Zhu, Zhiyuan
机构：
[1] Beijing Normal Univ, Key Lab Beam Technol & Mat Modificat, Minist Educ, Inst Low Energy Nucl Phys, Beijing 100875, Peoples R China
[2] Beijing Radiat Ctr, Beijing 100875, Peoples R China
[3] Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China
来源：
PHYSICAL REVIEW B | 2006年 / 74卷 / 03期
关键词：
D O I：
10.1103/PhysRevB.74.033412
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Heat 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.
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页数：4
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