A simulation study of magnetic nanoparticle clustering in a fluid flow

Abstract

Abstract The assembly of magnetic nanoparticles has been promisingly used in biomedical applications. Several computational studies have addressed the study of cluster formation in the colloidal regime. However, these studies did not mention the formation of clusters in nonequilibrium conditions, such as fluid flow. To fill this gap, we develop computational models of magnetohydrodynamic systems to study their behavior within a flow in terms of cluster shape formation. All simulations were performed by Verlet integration through LAMMPS, a molecular dynamics framework. Through simulations, we discover that the fluid flow promotes formation of non-linear clusters, and linear clusters tend to orient toward the direction of the flow. These phenomena are investigated by using the equilibrium of magnetic torque and fluid torque. The analysis shows that the formation of non-linear clusters are mainly assisted by a bias-orientation of the unstable linear clusters, while the bias-orientation is originated from the torque cancellation in the direction of the flow.