Abstract
Liquid and amorphous Fe nanoparticles have been studied in spherical models with sizes of3, 4 and 5 nm. We use the molecular dynamics (MD) method with the Pak–Doyaminteratomic pair potential. Structural properties of Fe nanoparticles have been studied viaradial distribution function (RDF), interatomic distances, coordination numberdistribution and radial density profile. Local icosahedral order was detected via usingHoneycutt–Andersen (HA) analysis compared with that observed in the bulkcounterparts. Surface and core structures of Fe nanoparticles have been studied in detail.Potential and surface energies of liquid and amorphous Fe nanoparticles have beencalculated and discussed in addition to the size dependence of a glass transitiontemperature.
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