Atomistic simulation of hypothetical silicon nanotubes under tension

作者：Byun KR^*; Kang JW; Hwang HJ

来源：Journal of the Korean Physical Society, 2003, 42(5): 635-646.

• silicon nanotube under axial tensile force
• atomistic simulations
• tersoff potential

The responses of hypothetical silicon nanotubes under axial tensile forces have been investigated using an atomistic simulation based on the Tersoff potential. A tension, proportional to the deformation within Hooke's law, eventually led to a breaking of the silicon nanotubes. As the diameter of silicon nanotubes increased, the ultimate strength linearly increased. However, the force per atom at the breaking of silicon nanotubes was almost constant irrespective of the diameter of the silicon nanotubes. The behaviors of the elastic energy of silicon nanotubes with strain were similar with those of carbon nanotubes and the responses of silicon nanotubes under axial tension were similar with those of carbon nanotubes under axial tension, except for quantitative values, because the structure of silicon nanotubes used in this study was identical with that of carbon nanotubes. The effective strain energy constant of the silicon nanotubes was less than half of that of carbon nanotubes, and the stiffness of the silicon nanotubes was much lower than that of carbon nanotubes, and these implied difficulty with the formation and application of silicon nanotubes. When the parameters of silicon nanotubes are properly chosen (Young's modulus, effective strain constant, diameter, lattice constant, and strains), the maximum strains, ultimate strengths, and elastic energy at which the breaking events of silicon nanotubes occur could be estimated by using the equations in this work.

• 出版日期2003-5