Dynamical and Structural Properties of the Ni4 Cluster

Abstract

Microcanonical molecular dynamics simulations are used to determine the structures of NiN(N = 4, 5, 6) clusters and to study the dynamical and structural properties of the Ni4 cluster. The interaction between the atoms is modeled by an empirical potential. The geometries and the related parameters are compared with the previous literature. The Ni4 cluster is heated up to 2000 K and during the phase transition a stable isomer of the cluster is observed. The melting temperature of Ni4 clusters is tried to be determined from the dynamical displays.

Melting behaviors of Co (N= 13, 14, 38, 55, 56) clusters

“…The investigation of small atomic and molecular clusters has been an active field over the last few decades [1][2][3][4][5]. The physical and chemical properties of clusters are found to be quite different from the single atom (molecule) and the bulk materials.…”