sknano.structures.MWNTBundle

class sknano.structures.MWNTBundle(**kwargs)

MWNT bundle structure class.

Attributes

Lx
Ly
Lz	MWNT length \(L_z = L_{\mathrm{tube}}\) in nanometers.
Natoms	Number of atoms in nanotube.
Natoms_per_bundle
Natoms_per_tube	Number of atoms in nanotube \(N_{\mathrm{atoms/tube}}\).
Natoms_per_unit_cell	Number of atoms in nanotube unit cell.
Nshells
Ntubes
Nwalls
T	Length of MWNT unit cell \(|\mathbf{T}|\) in Å.
bond	Bond length in Å.
bundle_mass
bundle_packing
chiral_set
chiral_types
dt	MWNT diameter \(d_t=\frac{|\mathbf{C}_h|}{\pi}\) in Å.
element1	Element symbol of Atom 1.
element2	Element symbol of Atom 2.
fix_Lz
nx	Number of nanotubes along the \(x\)-axis.
ny	Number of nanotubes along the \(y\)-axis.
nz	Number of nanotube unit cells along the \(z\)-axis.
rt	MWNT radius \(r_t=\frac{|\mathbf{C}_h|}{2\pi}\) in Å.
tube_mass	MWNT mass in grams.
unit_cell_mass	Unit cell mass in atomic mass units.

Methods

compute_bundle_params()	Compute/update nanotube bundle parameters.
todict()