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http://dx.doi.org/10.1016/j.cap.2018.07.019

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

Kilic, Mehmet Emin (Department of Physics, Middle East Technical University)
Alaei, Sholeh (Department of Physics, Urmia Branch, Islamic Azad University)
Publication Information
Current Applied Physics / v.18, no.11, 2018 , pp. 1352-1358 More about this Journal
Abstract
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 ${\beta}-Fe_2O_3$ nanorod. To elucidate the structural properties and dynamics behavior of ${\beta}-Fe_2O_3$ nanorods, MD simulation is a powerful technique. The structural properties such as equation of state and radial distribution function of bulk ${\beta}-Fe_2O_3$ are performed by lattice dynamics (LD) simulations. In this work, we consider three main mechanisms affecting on deformation characteristics of a ${\beta}-Fe_2O_3$ nanorod: 1) temperature, 2) the rate of mechanical compression, and 3) the rate of mechanical torsion.
Keywords
${\beta}-Fe_2O_3$; Nanorod; Molecular dynamics; Compression; Torsion;
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