School of Engineering, Swansea University, Singleton Park, Swansea, UK.
Nanotechnology. 2010 Sep 10;21(36):365702. doi: 10.1088/0957-4484/21/36/365702. Epub 2010 Aug 11.
The unique features of axial, torsional, transverse and radial breathing vibrations are captured for armchair and zigzag singlewalled boron nitride nanotubes (BNNTs) based on molecular mechanics simulations and continuum mechanics theories. Equivalent Young's modulus 1 TPa and shear modulus 0.4 TPa are obtained independent of the chirality of BNNTs. In particular, a distorted optimized structure is observed for the first time for BNNTs with sufficiently large diameter and length. It is found that the deformed structures result in behaviours of BNNTs deviating from those of classical columns/beams. Such symmetry-breaking could also exert significant impacts on the structural instability (buckling) and electronic properties of BNNTs that are sensitive to the structural symmetry.
基于分子力学模拟和连续介质力学理论，捕获了扶手椅型和锯齿型单壁氮化硼纳米管（BNNTs）的轴向、扭转、横向和径向呼吸振动的独特特征。等效杨氏模量为 1 TPa，剪切模量为 0.4 TPa，与 BNNTs 的手性无关。特别是，首次观察到具有足够大直径和长度的 BNNTs 的扭曲优化结构。结果表明，变形结构导致 BNNTs 的行为偏离经典柱/梁的行为。这种对称破缺也会对 BNNTs 的结构不稳定性（屈曲）和电子性质产生显著影响，因为它们对结构对称性敏感。
