Some features of the simulation may be described in terms of classical
models which treat the cluster as a continuum: these include rotation of the
cluster as a whole, and its vibrations in the solid and liquid states. This is
the focus of the present study.
Other
aspects, such as the melting points of the anion and cation sublattices,
possible differences between bulk and surface behaviour, and ionic diffusion,
must be discussed at the atomic level (Bulatov, Grimes and Harker 1997).