Investigation of structure, dynamics and energetic of mixed transition metal clusters; AgnNi(13-n) for n ≤ 13

Jinasena W. Hewage, Francois. G. Amar, Wijesing Liyanage Rupika


Mixed transition metal clusters of AgnNi(13-n) for n≤ 13 have been investigated using a realistic pair potential, Sutten-Chen potential, which is the extended version of original Finnnis-Sinclair pair potential. Literature results of thirteen particle clusters of neat silver and nickel atoms were first reproduced before the successive replacement of Ag atom by Ni atom. Calculation was repeated for both silver-centered and Ni-centered clusters. It was found that the Ni-centered clusters were more stable than the Ni-centered clusters. Heat capacities of several selected Ni-centered clusters were determined by using the Histogram method to obtain the approximate melting temperature.

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