Hcp-icosahedron structural transformation induced by the change in Ag concentration during the freezing of (CoAg)561 clusters

doi:10.1088/1674-1056/21/4/046102

中国物理B ›› 2012, Vol. 21 ›› Issue (4): 46102-046102.doi: 10.1088/1674-1056/21/4/046102

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇下一篇

肖绪洋

收稿日期:2011-09-11 修回日期:2011-09-26 出版日期:2012-02-29 发布日期:2012-02-29
通讯作者: 肖绪洋,xuyxiao@126.com E-mail:xuyxiao@126.com

Hcp-icosahedron structural transformation induced by the change in Ag concentration during the freezing of (CoAg)₅₆₁ clusters

Xiao Xu-Yang(肖绪洋)^†

School of Electronics Engineering, Chongqing University of Arts and Sciences, Chongqing 402160, China

Received:2011-09-11 Revised:2011-09-26 Online:2012-02-29 Published:2012-02-29
Contact: Xiao Xu-Yang,xuyxiao@126.com E-mail:xuyxiao@126.com
Supported by:
Project supported by the Science Foundation of Chongqing Committee of Education of China (Grant No. KJ111206) and the Fund of Chongqing University of Arts and Sciences (Grant No. Z2011RCYJ05).

摘要/Abstract

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.

Key words: bimetallic cluster, freeze, molecular dynamics, structural transformation

中图分类号: (Structure of clusters (e.g., metcars; not fragments of crystals; free or loosely aggregated or loosely attached to a substrate))

61.46.Bc

36.40.Ei (Phase transitions in clusters) 61.46.-w (Structure of nanoscale materials)

肖绪洋. [J]. 中国物理B, 2012, 21(4): 46102-046102.

Xiao Xu-Yang(肖绪洋) . Hcp-icosahedron structural transformation induced by the change in Ag concentration during the freezing of (CoAg)₅₆₁ clusters[J]. Chin. Phys. B, 2012, 21(4): 46102-046102.

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Hcp-icosahedron structural transformation induced by the change in Ag concentration during the freezing of (CoAg)₅₆₁ clusters

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