| Evolution of three-shell onion-like and core-shell structures in （AgCo）201 bimetallic clusters |
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| 引用本文： | 王强,李国建,李东刚,吕逍,赫冀成.Evolution of three-shell onion-like and core-shell structures in （AgCo）201 bimetallic clusters[J].中国物理 B,2009,18(5):1843-1849. |
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| 作者姓名： | 王强 李国建 李东刚 吕逍 赫冀成 |
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| 作者单位： | Key Laboratory of Electromagnetic Processing of Materials
(Ministry of Education),
Northeastern University, Shenyang
110004,
China;Key Laboratory of Electromagnetic Processing of Materials
(Ministry of Education),
Northeastern University, Shenyang
110004,
China;Key Laboratory of Electromagnetic Processing of Materials
(Ministry of Education),
Northeastern University, Shenyang
110004,
China;Key Laboratory of Electromagnetic Processing of Materials
(Ministry of Education),
Northeastern University, Shenyang
110004,
China;Key Laboratory of Electromagnetic Processing of Materials
(Ministry of Education),
Northeastern University, Shenyang
110004,
China |
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| 基金项目： | Project supported by the National
Natural Science Foundation of China (Grant No 50374027), the program
for New Century Excellent Talents in University (Grant No
NCET-06-0289), and the 111 project of China
(Grant No B07015). |
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| 摘 要： | <正>This paper studies the structural evolution of（AgCo）201 clusters with different Co concentrations under various temperature conditions by using molecular dynamics with the embedded atom method.The most stable position for Co atoms in the cluster is the subsurface layer at low temperature(lower than 200 K for the Ag200Co1 cluster).The position changes to the core layer with the increase of temperature,but there is an energy barrier in the middle layer. This makes the Ag-Co cluster form an Ag-Co-Ag three-shell onion-like configuration.When the temperature is high enoughhigher than 800 K for（AgCo）201 clusters with 50%Co],Co atoms can obtain enough energy to overcome the energy barrier and the cluster forms an Ag-Co core-shell configuration.Amorphization for the onion-like and core-shell clusters is induced by the large lattice misfit at Ag-Co interfaces.The structural evolution in the Ag-Co cluster is related to the release of excess energy.
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| 关 键 词： | bimetallic cluster structure molecular dynamics |
| 收稿时间： | 2008-09-15 |
Evolution of three-shell onion-like and core-shellstructures in (AgCo)201 bimetallic clusters |
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| Wang Qiang,Li Guo-Jian,Li Dong-Gang,L\"u Xiao and He Ji-Cheng.Evolution of three-shell onion-like and core-shellstructures in (AgCo)201 bimetallic clusters[J].Chinese Physics B,2009,18(5):1843-1849. |
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| Authors: | Wang Qiang Li Guo-Jian Li Dong-Gang L\"u Xiao and He Ji-Cheng |
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| Institution: | Key Laboratory of Electromagnetic Processing of Materials
(Ministry of Education),
Northeastern University, Shenyang
110004,
China |
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| Abstract: | This paper studies the structural evolution of (AgCo)201
clusters with different Co concentrations under various temperature
conditions by using molecular dynamics with the embedded atom
method. The most stable position for Co atoms in the cluster is the
subsurface layer at low temperature (lower than 200~K for the
Ag200Co1 cluster). The position changes to the core layer
with the increase of temperature, but there is an energy barrier in
the middle layer. This makes the Ag--Co cluster form an Ag--Co--Ag
three-shell onion-like configuration. When the temperature is high
enough higher than 800~K for (AgCo)201 clusters with 50%
Co], Co atoms can obtain enough energy to overcome the energy
barrier and the cluster forms an Ag--Co core-shell configuration.
Amorphization for the onion-like and core-shell clusters is induced
by the large lattice misfit at Ag--Co interfaces. The structural
evolution in the Ag--Co cluster is related to the release of
excess energy. |
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| Keywords: | bimetallic cluster structure molecular dynamics |
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