Cohesive Energy of Clusters Referenced by Wulff Construction

The geometrical and energetic characteristics of Wulff construction are expressed by variants δ, Ba/Bt, and Ec(N)/Eb0 in an N atom system, where δ = Ns/N is the surface/volume ratio with Ns being the surface atom number, Ba is the rest bond number, Bt denotes the total bond number without broken bonds, and Ec(N) and Eb0 are the cohesive energy values in an N atom system and in bulk. It is found that these functions of Wulff construction correspond to that of several standard clusters. Thus, Wulff construction as a first-order approximation could estimate the shape and energy of clusters without any structural consideration.