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Structural properties of beta-Fe2O3 nanorods under compression and torsion: Molecular dynamics simulations

Kilic, Mehmet Emin
Alaei, Sholeh
In recent years, one-dimensional (1D) magnetic nanostructures, such as magnetic nanorods and chains of magnetic nanoparticles have received great attentions due to the breadth of applications. Especially, magnetic nanorods has been opened an area of active research and applications in medicine, sensors, optofluidics, magnetic swimming, and microrheology since they possess the unique magnetic and geometric features. This study focuses on the molecular dynamics (MD) simulations of an infinitely long crystal beta-Fe2O3 nanorod. To elucidate the structural properties and dynamics behavior of beta-Fe2O3 nanorods, MD simulation is a powerful technique. The structural properties such as equation of state and radial distribution function of bulk beta-Fe2O3 are performed by lattice dynamics (LD) simulations. In this work, we consider three main mechanisms affecting on deformation characteristics of a beta-Fe2O3 nanorod: 1) temperature, 2) the rate of mechanical compression, and 3) the rate of mechanical torsion.