Bending of boron nitride nanotubes: An atomistic study

The present work investigates through molecular dynamics finite element method with Tersoff potential the buckling behavior of boron nitride (BN) armchair and zigzag nanotubes under bending. The critical bending buckling angle, moment, and curvature are studied and discussed with respect to the tube...

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Bibliographic Details
Published in:Mechanics of advanced materials and structures 2019-08, Vol.26 (16), p.1357-1364
Main Authors: Nguyen, Van-Trang, Nguyen, Danh-Truong, Le, Minh-Quy
Format: Article
Language:English
Subjects:
Atomistic simulation
Bending
Boron nitride
Buckling
Crystal defects
Curvature
Finite element method
Molecular dynamics
Nanocomposites
Nanotechnology devices
nanotube
Nanotubes
Tubes
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Summary:The present work investigates through molecular dynamics finite element method with Tersoff potential the buckling behavior of boron nitride (BN) armchair and zigzag nanotubes under bending. The critical bending buckling angle, moment, and curvature are studied and discussed with respect to the tube length-diameter ratios from 10 to 50. Effects of a Stone-Wales defect in the middle tube on the bending behavior are also examined. The bending buckling mechanism is governed by the local instabilities and bond breaking in the compressive zone of the tubes. Results are useful for the design of nanocomposites and nano-devices with BN nanotubes.
ISSN:1537-6494
1537-6532
DOI:10.1080/15376494.2018.1432801