STRUCTURAL AND DYNAMICAL PROPERTIES OF SURFACES AND THE EFFECT OF PREMELTING

The effect of premelting is of particular interest in connection with the theory of melting. In this paper, we discuss structural and dynami cal properties of surfaces of semi-infinite crystals as well as of nan o-clusters, which show the effect of premelting. The investigations ar e based on molecular dynamics calculations: Different models are used for the systematic study of the effect of premelting. In particular, t he behaviour of the following functions have been studied: pair correl ation function, generalized phonon density of states, and the mean-squ are displacement as a function of time. The calculations have been don e for krypton since for this substance a reliable interaction potentia l is available.