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 cross-section 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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Konduri et al. (2006) studied this question.
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