MOLECULAR DYNAMICS STUDY OF LIQUID ALUMINIUM BY EMBEDDED-ATOM METHOD

A molecular-dynamics scheme in the embedded-atom method is shown to be the efficient and accurate in studying liquid aluminium system. The ability of the method in studying liquid system is demonstrated by calculating the intent heat, self-diffusion coefficient, pair distribution function of aluminium, and so on. All of the results agree well with experimental results. The background electron density is also calculated using this method, and the result shows that a discontinuous change occurs at melting point for the electron density in the system.