THE EFFECT OF PREMELTING - STUDY FOR SEMIINFINITE CRYSTALS AND NANO-SYSTEMS

The effect of premelting is of particular interest in connection with the theory of melting. In this paper, we discuss the structural and dy namical properties of the surfaces of semi-infinite crystals as well a s of nano-clusters, which show the effect of premelting. The investiga tions are based on molecular-dynamics calculations: different models a re used for the systematic study of the effect of premelting. In parti cular, the behaviour of the following functions have been studied: pai r correlation function, generalized phonon density of states, and the mean-square displacement as a function of time. The calculations have been done for krypton since for this substance a reliable interaction potential is available.