sknano.structures.compute_bundle_density

sknano.structures.compute_bundle_density(*Ch, *, r_vdw=None, bond=None, element1=None, element2=None)

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:

*Ch : {tuple or ints}

Either a 2-tuple of ints or 2 integers giving the chiral indices of the nanotube chiral vector \(\mathbf{C}_h = n\mathbf{a}_1 + m\mathbf{a}_2 = (n, m)\).

r_vdw : int

van der Waals radius of nanotube atoms

bond : float, optional

Bond length.

Returns:

float

\(\rho_{\mathrm{bundle}}\) in units of \(\mathrm{\frac{g}{cm^3}}\)