Atomistic Modeling of the Mechanical Properties of Chiral Metallic Nanotubes

IA Bryukhanov and VA Gorodtsov and DS Lisovenko, PHYSICAL MESOMECHANICS, 23, 477-486 (2020).

DOI: 10.1134/S102995992006003X

The work studies the mechanical properties of chiral metallic nanotubes by the molecular statics method. The atomic structure of nanotubes was obtained by rolling up thin nanoplates from cubic crystals of copper, iron, aluminum, and cobalt with the (010) orientation at various chiral angles. It is shown that such nanotubes can experience torsion under tension and their Poisson's ratio decreases with increasing chiral angle within the range from 0 degrees to 45 degrees. Poisson's ratio of stretched copper and cobalt nanotubes becomes negative at certain chiral angles. A relationship is determined between the uniaxial deformation of nanotubes and their torsion at different chiral angles (reverse Poynting's effect). As the chiral angle increases, Young's modulus of nanotubes also increases. Atomistic modeling results are shown to agree qualitatively well with theoretical estimates obtained in the framework of anisotropic elasticity, but with significant quantitative differences for various crystalline materials.

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