The EAM based effective pair potentials for the dynamic properties of liquid Cu

The effective pair potentials based on the different versions of embedded atom method (EAM) have been applied to investigate the dynamic properties of liquid copper. The presented potentials are used for the first time for this purpose. The computations were carried out using the variational hypernetted chain (VMHNC) liquid state theory in order to obtain static structure factors and pair distribution functions as a function of temperature above its melting. The dynamical properties evaluated within the framework of the mode-coupling theory, using a self-consistent scheme have been also presented. The single-particle and collective time-dependent properties of liquid copper have computed and used to calculate one of the transport coefficient, namely the self-diffusion constant D. The values for the diffusion coefficients calculated by different versions of EAM based potentials are consistent with each other. The density-dependent effective pair potentials based on EAM have been considered and determined its effects on the collective dynamic properties such as the intermediate scattering functions and the dynamic structure factors.