Abstract

The unique features of axial, torsional, transverse and radial breathing vibrations arecaptured for armchair and zigzag singlewalled boron nitride nanotubes (BNNTs) based onmolecular mechanics simulations and continuum mechanics theories. Equivalent Young’smodulus 1 TPa and shear modulus 0.4 TPa are obtained independent of the chirality ofBNNTs. In particular, a distorted optimized structure is observed for the first time forBNNTs with sufficiently large diameter and length. It is found that the deformed structuresresult in behaviours of BNNTs deviating from those of classical columns/beams. Suchsymmetry-breaking could also exert significant impacts on the structural instability(buckling) and electronic properties of BNNTs that are sensitive to the structuralsymmetry.

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