| With the rapidly development of nanomaterials and nanotechnology, more and more research focus on metal cluster due to their very important value of application. The character of cluster could be thought of as the translation from microscopic structure to macroscopic because its size is amid molecule and crystal .It is very important to understand the evolution of microscopic structure and produce high quality nanomaterials by studying the transformation of structure and character when cluster is melting.In this paper, melting processes of metal clusters were investigated using molecular dynamics simulation in combination with embedded atom potentials. we detailed introduce the method of molecular dynamics simulation, including potential energy functions, equation of integration, periodic boundary conditions and so on. The melting processes of Au55, Fe55, Na55 clusters has been investigated by means of microcanomical molecular dynamics simulation technique. The curves of the potential energies and the heat capacity varying with temperature are obtained. The result show that the clusters have pre-melting around melting point. To explain the micromechanics of the pre-melting, we analyze the energy and structure of these clusters upon pre-melting. Through comparing the pre-melting temperature of them, the relation between the temperature of pre-melting and the structure of clusters is obtained. |
