Molecular Dynamics Study of Nanoparticles/argon Atoms Size Effects on Atomic Aggregation Phenomena in Ideal Platinum Nanochannel Affected by the External Magnetic Field

Abstract

In this paper, the computational method is used to describe the atomic behavior of Fe3O4 nanoparticles size effect on these nanoparticles aggregation phenomena in ideal platinum nanochannel and in the presence of outer magnetic major. In this work molecular dynamics (MD) method used and argon atoms described as base fluid. Technically, for the interaction between base fluid atoms, we used Lennard-jones (LJ) potential, while the nanochannel wall and nanoparticle structures are simulated. To calculate the atomic behavior of simulated systems, we report temperature, total energy, and distance of nanoparticles center of mass (COM) and time of aggregation phenomena. Our MD simulation results show the Fe3O4 nanoparticle size is an important factor in aggregation phenomenon occur. Numerically, by enlarging the Fe3O4 nanoparticle size, the aggregation time of Al2O3 nanoparticles changes from 1.41 ns to 1.29 ns. Further, the external magnetic field can be delayed this atomic phenomenon effectively.