Analysis of structures and melting properties of the 19-atom Ni–Co clusters

Author:

Ren Shi-Wei1,Sun Jing-Wei1,Hao Yan-Zhong1

Affiliation:

1. College of Science, Hebei University of Science & Technology, Yuhua East Road 70, Shijiazhuang City, 050018, P. R. China

Abstract

In this paper, by using the classical molecular dynamics method and the GEAM potential, the geometric structure and the melting properties of the 19-atom Ni – Co clusters with different compositions are studied. It is found that all the clusters have the double icosahedron structures although some of the structures are slightly deformed. With the increase of the temperature, a pre-melting phenomenon is observed. The pre-melting temperatures of the pure cobalt and nickel clusters are very close. But on the whole, the pre-melting temperature decreases with the increase of the number of the nickel atom for the mixed clusters. The effects of the substitution atoms on the melting temperature of the clusters are similar to that on the pre-melting temperature although there are some oscillations in the decrease process. The mechanism of these findings are also investigated and analyzed.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

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