| Hcp-icosahedron structural transformation induced by the change in Ag concentration during the freezing of （CoAg）561 clusters |
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| 引用本文： | 肖绪洋.Hcp-icosahedron structural transformation induced by the change in Ag concentration during the freezing of （CoAg）561 clusters[J].中国物理 B,2012,21(4):46102-046102. |
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| 作者姓名： | 肖绪洋 |
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| 作者单位： | School of Electronics Engineering, Chongqing University of Arts and Sciences, Chongqing 402160, China |
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| 基金项目： | Project supported by tile Science Foundation of Chongqing Committee of Education of China （Grant No. K Ji11206） and the Fund of Chongqing University of Arts and Sciences （Grant No. Z2011RCYJ05）. |
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| 摘 要： | The synergy effect of alloy elements in bimetallic clusters can be used to tune the chemical and physical properties. Research on the influences of alloy concentration and distribution on the frozen structure of bimetallic clusters plays a key rolc in exploring new structural materials. In this paper, we study the influence of Ag concentration on the frozen structure of the （AgCo）561 cluster by using molecular dynamics simulation with a general embedded atom method. The results indicate that tt~e structure and chemical ordering of the （AgCo）561 cluster are strongly related to Ag concentration. Hcp-icosahedron structural transformation in the frozen （CoAg）561 cluster can be induced by changing Ag concentration. The chemical ordering also transforms to Janus-like Co Ag from core-shell Co-Ag.
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| 关 键 词： | 体结构 浓度 集群 分子动力学模拟 冻结 嵌入原子方法 团簇结构 化学品 |
| 收稿时间： | 2011-09-11 |
Hcp-icosahedron structural transformation induced by the change in Ag concentration during the freezing of (CoAg)561 clusters |
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| Xiao Xu-Yang.Hcp-icosahedron structural transformation induced by the change in Ag concentration during the freezing of (CoAg)561 clusters[J].Chinese Physics B,2012,21(4):46102-046102. |
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| Authors: | Xiao Xu-Yang |
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| Institution: | School of Electronics Engineering, Chongqing University of Arts and Sciences, Chongqing 402160, China |
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| Abstract: | The synergy effect of alloy elements in bimetallic clusters can be used to tune the chemical and physical properties. Research on the influences of alloy concentration and distribution on the frozen structure of bimetallic clusters plays a key role in exploring new structural materials. In this paper, we study the influence of Ag concentration on the frozen structure of the (AgCo)561 cluster by using molecular dynamics simulation with a general embedded atom method. The results indicate that the structure and chemical ordering of the (AgCo)561 cluster are strongly related to Ag concentration. Hcp-icosahedron structural transformation in the frozen (CoAg)561 cluster can be induced by changing Ag concentration. The chemical ordering also transforms to Janus-like Co-Ag from core-shell Co-Ag. |
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| Keywords: | bimetallic cluster freeze molecular dynamics structural transformation |
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