We have investigated the structural phases of sodium and potassium encapsulated in ultrathin
carbon nanotubes by using a structural optimization process applied to an atomistic simulation
method. As the radius of the carbon nanotubes is increased, str...
We have investigated the structural phases of sodium and potassium encapsulated in ultrathin
carbon nanotubes by using a structural optimization process applied to an atomistic simulation
method. As the radius of the carbon nanotubes is increased, structures are found in various phases
from an atomic strand to multi-shell packs composed of coaxial cylindrical shells and in both
helical and layered structures. The numbers of helical atom rows composed of coaxial tubes and
the orthogonal vectors of a circular rolling of a triangular network can explain multi-shell phases of
sodium and potassium in carbon nanotubes.