Investigation of Mechanical Behavior of Boron Nitride Nanotubes -Reinforced Magnesium Nanocomposite Using Molecular Dynamics Simulations

Magnesium-based nanocomposites are widely used in the aerospace, automotive, and medical industries. Due to the special properties of boron nitride nanotubes, these nanotubes play an important role in strengthening nanocomposites. In this research, magnesium nanocomposites are reinforced by boron nitride nanotubes and the mechanical properties of these nanocomposites under uniaxial tensile loading in the axial direction of the nanotubes have been investigated by the molecular dynamics method by Lammps software. Also, the coefficients of the atomic potential function of magnesium atoms have been calculated using the law of composition and the data extracted by Gaussian software. The results of molecular dynamics simulations show the improvement of mechanical properties of magnesium-based metal nanocomposites due to the addition of boron nitride nanotubes. The presence of boron nitride (0,12), (0,14), (0,16) and (0,18) nanotube reinforcers as magnesium field reinforcers increased the elastic modulus by 13, 14.9, 16.2 and 17 percent. Other results of this study indicate that the elastic behavior of nanocomposites is independent of strain rate changes. Also, by performing this simulation over a wide range of temperatures, obvious changes in the mechanical properties of the nanocomposite at different temperatures have been obtained.