Monatshefte für Chemie - Chemical Monthly

, Volume 146, Issue 10, pp 1603–1608 | Cite as

Mechanical properties of carbon, silicon carbide, and boron nitride nanotubes: effect of ionization

  • Igor K. Petrushenko
  • Konstantin B. Petrushenko
Original Paper
First Online:
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Accepted:

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 may undergo a radiation exposure, is a promising way to enhance their performance.

Graphical abstract

Keywords

Density functional theory Ionization Molecular modeling Nanostructures Young’s modulus 
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Notes

Acknowledgments

This work was supported by Russian Fund of Basic Research, research project No. 14-03-31231 мoл_a. IKP thanks Dr. V. Malkin for his continued support and encouragement. IKP thanks SAIA for its support. The authors thank Peter Hickling for the proofreading.

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Copyright information

© Springer-Verlag Wien 2015

Authors and Affiliations

  • Igor K. Petrushenko
    • 1
  • Konstantin B. Petrushenko
    • 2
  1. 1.Physical and Technical InstituteIrkutsk National Research Technical UniversityIrkutskRussia
  2. 2.AE Favorsky Irkutsk Institute of ChemistrySiberian Branch of Russian Academy of SciencesIrkutskRussia

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