The Melting Behaviors of the Bimetallic Cluster ConCu_(55-n)(n=0～55)

摘要

The melting behaviors of Co_nCu_(55-n)(n=0～55) bimetallic cluster were studied by using semi-empirical Gupta potential combined with molecular dynamics simulations. The melting point of the Co_nCu_(55-n)(n=0～55) cluster shows itself the trend of going up, accompanied by the increasing of the Cobalt atomicity. However, it is between Co_(55) and Cu_55 elementary cluster for melting point overall. Meanwhile the variation in the width of pre-melting temperature is greater, if around n≈0 or n≈55, but it is lesser nearly n≈55/2(namely Co and Cu at the same atomicity). In addition, the saturation point of specific heat capacity can be determined corresponding to the peak of Lindemann index.