Abstract
We study the origin of the strain energy minimum in a single-walled aluminosilicate nanotube via a harmonic force-constant model and molecular dynamics simulations. The model is based on a circular crosssection geometry of the nanotube composed of semirigid AlO6 octahedra and SiO4 tetrahedra. The monodispersity in the nanotube diameter is explained in terms of a minimum in the strain energy due to differences in bond energies on the inner and outer surfaces. The model also reproduces the diameter dependence of the radial breathing mode RBM frequency and is in accord with midinfrared spectroscopic characterization.
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