SURFACE MELTING OF A MOLECULAR-CRYSTAL BY COMPUTER-SIMULATIONS

In this paper we report some results of an extensive study of surface thermal disordering of crystalline sulphur hexafluoride (SF6). The isotropy of the melting behavior of a polyatomic molecular crystal is clearly demonstrated by MD simulation. A logarithmic divergence of the liquid-like layer is observed as the triple point is approached. A similar result had been obtained experimentally in the case of thin films.