MOLECULAR-DYNAMICS STUDY OF THE STRUCTURES, BINDING-ENERGIES, AND MELTING OF CLUSTERS OF FCC TRANSITION AND NOBLE-METALS USING THE VOTER AND CHEN VERSION OF THE EMBEDDED-ATOM MODEL
J. Garciarodeja et al., MOLECULAR-DYNAMICS STUDY OF THE STRUCTURES, BINDING-ENERGIES, AND MELTING OF CLUSTERS OF FCC TRANSITION AND NOBLE-METALS USING THE VOTER AND CHEN VERSION OF THE EMBEDDED-ATOM MODEL, Physical review. B, Condensed matter, 49(12), 1994, pp. 8495-8498
Using the Voter and Chen version of the embedded-atom model, we have c
arried out molecular-dynamics simulations to study the structures and
melting of Ni, Pd, Pt, Cu, Ag, and Au clusters in the size range N = 2
-23. The model predicts that all these clusters have structures based
on icosahedral packing and similar thermodynamic behavior. Salient res
ults are that all the 13-atom clusters have high melting temperatures,
and that a premelting phenomenon occurs in the 14-atom and 20-atom cl
usters, which have a single atom outside a very stable structural core
. Specific studies for Ni demonstrate that the premelting phenomenon a
lso occurs in Ni15, Ni16, and Ni17, which have, respectively, two, thr
ee, and four atoms outside the Ni13 core.