Dynamical and structural properties of the Ni<sub>4</sub> cluster
MH Güven, Meral Eryurek
article (Uluslararası, Hakemli) | Yazar(lar): MH Güven, Meral Eryurek | Yıl: 1999 | Dergi/Kurum: PHYSICA STATUS SOLIDI B-BASIC RESEARCH | İndeks: WOS.SCI — Özet: Microcanonical molecular dynamics simulations are used to determine the structures of Ni-N (N = 4, 5, 6) clusters and to study the dynamical and structural pr
Microcanonical molecular dynamics simulations are used to determine the structures of Ni-N (N = 4, 5, 6) clusters and to study the dynamical and structural properties of the Ni-4 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 Ni-4 cluster is heated up to 2000 K and during the phase transition a stable isomer of the duster is observed. The melting temperature of Ni-4 clusters is tried to be determined from the dynamical displays.