sknano.structures.compute_bundle_density¶
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sknano.structures.compute_bundle_density(n, m, d_vdw=None, bond=None, element1=None, element2=None)[source][source]¶ Compute nanotube bundle mass density \(\rho_{\mathrm{bundle}}(n, m)\) in \(\mathrm{g/cm^3}\).
\[\rho_{\mathrm{bundle}}(n, m) = \frac{8\pi^2 m_{\mathrm{C}} \sqrt{n^2 + m^2 + nm}}{9\sqrt{3}a_{\mathrm{CC}}^3 \times \left(\sqrt{n^2 + m^2 + nm} + \frac{\pi d_{\mathrm{vdW}}}{\sqrt{3}a_{\mathrm{CC}}}\right)^2}\]Parameters: n, m : int
Chiral indices defining the nanotube chiral vector \(\mathbf{C}_h = n\mathbf{a}_1 + m\mathbf{a}_2 = (n, m)\).
d_vdw : int
van der Waals distance between nearest-neighbor tubes
bond : float, optional
Bond length.
Returns: float
\(\rho_{\mathrm{bundle}}\) in units of \(\mathrm{\frac{g}{cm^3}}\)