Computation of Young’s moduli for chiral single-walled carbon nanotubes
A.Y.T. Leung, Wu Yongdong, Zhong Weifang
Abstract
A.Y.T. Leung, Wu Yongdong, Zhong Weifang
Abstract
An energy-equivalent model is proposed to establish the computational formula of Young’s modulus for chiral single-walled carbon nanotubes (SWCNTs). First, the total system potential energy is obtained using the principle of molecular mechanics. Then, the computing formula of Young’s modulus of chiral SWCNT is obtained by comparing the total molecular potential energy with the strain energy of a corresponding thin cylinder. It is found that Young’s modulus of a chiral SWCNT is affected both by its diameter and chiral angle.
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An energy-equivalent model is proposed to establish the computational formula of Young’s modulus for chiral single-walled carbon nanotubes (SWCNTs). First, the total system potential energy is obtained using the principle of molecular mechanics. Then, the computing formula of Young’s modulus of chiral SWCNT is obtained by comparing the total molecular potential energy with the strain energy of a corresponding thin cylinder. It is found that Young’s modulus of a chiral SWCNT is affected both by its diameter and chiral angle.
Key concepts: Carbon nanotube, Modulus, Moduli, Materials science, Young's modulus, Strain energy, Computation, Cylinder