2015
DOI: 10.1007/s00706-015-1537-1
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Mechanical properties of carbon, silicon carbide, and boron nitride nanotubes: effect of ionization

Abstract: This paper studies the effect of ionization of finite-length single-walled carbon nanotubes, boron nitride nanotubes, and silicon carbide nanotubes on their mechanical properties. The PBE/SVP calculations show that the ionization affects the elastic properties of studied models. The nanotubes demonstrate little changes in Young's modulus upon ionization; however, the changes in bulk and shear moduli as well as in Poisson's ratio are more pronounced. The introduction of nanotubes into composite materials, which… Show more

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Cited by 13 publications
(5 citation statements)
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“…DFT method with the PBE functional was employed [23,24]. The PBE has been demonstrated to be a reliable and commonly used functional for study of different nanostructures [25][26][27]. To calculate equilibrium geometries of studied structures we used Ahlirchs' SVP (split-valence polarization) basis set [28].…”
Section: -2mentioning
confidence: 99%
“…DFT method with the PBE functional was employed [23,24]. The PBE has been demonstrated to be a reliable and commonly used functional for study of different nanostructures [25][26][27]. To calculate equilibrium geometries of studied structures we used Ahlirchs' SVP (split-valence polarization) basis set [28].…”
Section: -2mentioning
confidence: 99%
“…To illustrate, in the case of mechanical properties, CNT has Young's modulus around 1 TPa, while BNNT has 1.8 TPa and 0.62 TPa for SiCNT. The Poisson's ratio used for analysis in the current research is 0.37 for SiCNT and 0.25 for BNNT [49][50][51]. Moreover, CNTs can resist thermal environment up to 600 C, while SiCNT can resist up to 1000 C in the air without any damage [52,53].…”
Section: Introductionmentioning
confidence: 99%
“…For this purpose, it is assumed that the elements of the nanoframe given in figure 1 are composed of silicon carbide nanotubes. The Young's modulus and Poisson's ratio of silicon carbide nanotube are as follows: E=0.45 TPa, ν=0.27 [58,59]. The shear modulus of silicon carbide nanotube is calculated by the following relation:…”
Section: Numerical Results and Discussionmentioning
confidence: 99%