The investigation of Fe3O4 atomic aggregation in a nanochannel in the presence of magnetic field: Effects of nanoparticles distance center of mass, temperature and total energy via molecular dynamics approach

Abstract

The computational procedure was utilized to explain the size effect of Fe3O4 nanoparticles on atomic behavior and phenomena of nanoparticles accumulation in nanochannel of ideal platinum (Pt) and the external magnetic field. Argon (Ar) atoms were considered as the base liquid, and the molecular dynamics procedure was utilized in this investigation. We utilized the Lennard-Jones potential to interact between the particles, whereas the nanochannel and nanoparticles structures were simulated. To compute the atomic manner, the quantities of nanoparticles distance center of mass, and the aggregation duration were presented. The outcomes implied that the nanoparticles size had a significant role in the accumulation. As the nanoparticles' size increased, the accumulation time of nanoparticles reached to 1.29 ns. Also, the outer magnetic field could severly postpone this event. (C) 2021 Published by Elsevier B.V.