Molecular Dynamics Simulations of Flexural Deformation of Nickel Nanowires

Abstract

We study the flexural dynamic deformation behavior of nickel (Ni) nanowire beams due to flexural bending via molecular dynamics simulations. Molecular model configurations of Nickel nanowires are analyzed. The deformational vibration frequencies obtained from molecular dynamics simulations are compared with the natural frequencies based on classical beam theory. The tensile deformation behavior under various strain rates of the Ni nanowires are also analyzed to obtain the required Young's Modulus for such comparisons. The frequency of flexural vibration obtained from molecular dynamics simulation was found to be independent of the magnitude of loading for the two boundary conditions studied. This is consistent with the classical beam theory. The magnitude of frequency based on the continuum classical beam theory was about an order higher compared to the frequency computed from the time displacement data obtained from the molecular dynamics simulations. These computational simulations provide an effective means of understanding the mechanical deformation and structural stability of the metallic nanowires.