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Title: Chirality dependent elastic properties of single-walled boron nitride nanotubes under uniaxial and torsional loading

Abstract

The elastic behavior of single-walled boron nitride nanotubes is studied under axial and torsional loading. Molecular dynamics simulation is carried out with a tersoff potential for modeling the interatomic interactions. Different chiral configurations with similar diameter are considered to study the effect of chirality on the elastic and shear moduli. Furthermore, the effects of tube length on elastic modulus are also studied by considering different aspects ratios. It is observed that both elastic and shear moduli depend upon the chirality of a nanotube. For aspect ratios less than 15, the elastic modulus reduces monotonically with an increase in the chiral angle. For chiral nanotubes, the torsional response shows a dependence on the direction of loading. The difference between the shear moduli against and along the chiral twist directions is maximum for chiral angle of 15°, and zero for zigzag (0°) and armchair (30°) configurations.

Authors:
 [1]
  1. Department of Civil Engineering, Indian Institute of Science, Bangalore 560012 (India)
Publication Date:
OSTI Identifier:
22278081
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 115; Journal Issue: 6; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 77 NANOSCIENCE AND NANOTECHNOLOGY; ASPECT RATIO; BORON NITRIDES; CHIRALITY; ELASTICITY; LOADING; MOLECULAR DYNAMICS METHOD; NANOTUBES; POTENTIALS; SHEAR PROPERTIES; YOUNG MODULUS

Citation Formats

Anoop Krishnan, N. M., E-mail: anoopnm@civil.iisc.ernet.in, and Ghosh, Debraj. Chirality dependent elastic properties of single-walled boron nitride nanotubes under uniaxial and torsional loading. United States: N. p., 2014. Web. doi:10.1063/1.4864781.
Anoop Krishnan, N. M., E-mail: anoopnm@civil.iisc.ernet.in, & Ghosh, Debraj. Chirality dependent elastic properties of single-walled boron nitride nanotubes under uniaxial and torsional loading. United States. https://doi.org/10.1063/1.4864781
Anoop Krishnan, N. M., E-mail: anoopnm@civil.iisc.ernet.in, and Ghosh, Debraj. 2014. "Chirality dependent elastic properties of single-walled boron nitride nanotubes under uniaxial and torsional loading". United States. https://doi.org/10.1063/1.4864781.
@article{osti_22278081,
title = {Chirality dependent elastic properties of single-walled boron nitride nanotubes under uniaxial and torsional loading},
author = {Anoop Krishnan, N. M., E-mail: anoopnm@civil.iisc.ernet.in and Ghosh, Debraj},
abstractNote = {The elastic behavior of single-walled boron nitride nanotubes is studied under axial and torsional loading. Molecular dynamics simulation is carried out with a tersoff potential for modeling the interatomic interactions. Different chiral configurations with similar diameter are considered to study the effect of chirality on the elastic and shear moduli. Furthermore, the effects of tube length on elastic modulus are also studied by considering different aspects ratios. It is observed that both elastic and shear moduli depend upon the chirality of a nanotube. For aspect ratios less than 15, the elastic modulus reduces monotonically with an increase in the chiral angle. For chiral nanotubes, the torsional response shows a dependence on the direction of loading. The difference between the shear moduli against and along the chiral twist directions is maximum for chiral angle of 15°, and zero for zigzag (0°) and armchair (30°) configurations.},
doi = {10.1063/1.4864781},
url = {https://www.osti.gov/biblio/22278081}, journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 6,
volume = 115,
place = {United States},
year = {Fri Feb 14 00:00:00 EST 2014},
month = {Fri Feb 14 00:00:00 EST 2014}
}