Influence of inversion energy on elastic properties of single-walled carbon nanotubes

Zhang, H.W.; Wang, J.B.; Ye, H.F.

doi:10.1016/j.msea.2007.02.106

Cited by 10 publications

(1 citation statement)

References 21 publications

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“…Meanwhile, the EPRs of the SWCNTs (with diameter > 2 nm) calculated by Xiao et al [9] were close to 0.21, which is very close to Materials 2022, 15, 8720 2 of 15 a lattice-dynamics result [10]. Other researches [11][12][13] indicated that the EPR of largediameter SWCNT would go down to 0.16, that is also the EPR of graphite sheet [14]. The main reason for these differences is because of various interaction between carbon atoms.…”

Section: Introductionsupporting

confidence: 74%

Chirality-Dependent and Intrinsic Auxeticity for Single-Walled Carbon Nanotubes

2022

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Single-walled carbon nanotubes (SWCNTs) have superior mechanical properties which originate from a strong C-C covalent bond and unique nanostructure. Chirality, one of the helical structural parameters of SWCNTs, leads to differences in mechanical performance. In this work, molecular dynamics (MD) simulation was performed to analyze engineering Poisson’s ratio (EPR) and incremental Poisson’s ratio (IPR) of SWCNTs with different chiral angles, respectively, under tensile and compressive load, as well as the chiral effect on rigidity. We reported the minimum EPR for (4, 1) SWCNT and obtained the distribution and trend of EPR which is dependent on chiral index m. In addition, a new observation showed two exactly opposite trends of EPR existing not only in tension and compression but also in the longitudinal and radial directions. Furthermore, we found that the critical strain, over which SWCNT would be auxetic, ranged from 6% to 18% and was also chirality-dependent. Three representative SWCNTs with chiral angle of 0° (zigzag), 10.89° (chiral), and 30° (armchair) were selected for the mechanism study of auxeticity. Finally, a method of the contribution to radial strain for two main deformation modes proposed in this paper could well explain the negative IPR phenomenon.

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