Low frequency oscillations in nanoclusters of lanthanum trifluoride

V.L.Bulatov  and R.W.Grimes ^*
and A.H.Harker

Abstract:

We report classical molecular dynamics simulations of clusters of up to 3120 atoms of lanthanum trifluoride. The results are analysed to show the extent to which such small clusters can also be described by simple continuum methods. The oscillations in shape of the solid nanoclusters agree very well in frequency and magnitude with those deduced from classical elasticity theory. The liquid drop oscillations which are seen in the molecular dynamics simulations show that the simulations reproduce the surface tension behaviour of ionic systems.