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Size and Composition Dependence of the Frozen Structures in Co-Based Bimetallic Clusters

Guojian Li1, Qiang Wang1, Yongze Cao1, Jiaojiao Du1, Jicheng He1

1 Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110004, China

Structural Longevity 2011, 6(3), 145-154.


This paper studies the size-dependent freezing of Co, Co-Ni, and CoCu clusters by using molecular dynamics with a general embedded atom method. There is size effect occurs in these three types of clusters. The clusters with large sizes always freeze to form their bulk-like structures. However, the frozen structures for small sizes are generally related to their compositions. The icosahedral clusters are formed for Co clusters (for ≤3.2 nm diameter) and also for Co-Ni clusters but at a larger size range (for ≤4.08 nm). Upon Co-Cu clusters, decohedral structure is obtained for small size (for 2.47 nm). The released energy induced the structural transformation plays a key role in the frozen structures. These results indicate that the preformed clusters with special structures can be tuned by controlling their compositions and sizes.


Cite This Article

Li, G., Wang, Q., Cao, Y., Du, J., He, J. (2011). Size and Composition Dependence of the Frozen Structures in Co-Based Bimetallic Clusters. Structural Longevity, 6(3), 145–154.

This work is licensed under a Creative Commons Attribution 4.0 International License , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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