Abstract
The irregular physical and chemical properties can induce by the synergy effects of alloy elements in bimetallic clusters. Research on the influence of alloys concentration on the frozen structure of bimetallic cluster plays a key role in exploring new structural materials. In this paper, the influence of the Cu concentration on the frozen structures of the (CoCu)309clusters was investigated by using molecular dynamics simulation based on an embedded atom method. The (CoCu)309clusters with different Cu concentration were frozen from 2000 K to 200 K. It was found that the Co309cluster was formed by the Co bulk-like hcp structures and the Cu309cluster was constructed by the form with a 5-fold symmetry axe. The icosahedron structural transformation is strongly related to doping Cu atoms. Furthermore, two methods of icosahedrons structural transformation were found during the freezing processes of the Co-Cu clusters with different Cu concentration. The irregular phenomenon of the structure transformation induced with the 30% and 40% Cu concentration. The synergy effects of the Co-Cu on the surface are the key reason for the irregular icosahedrons.
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