By using the Voter-Chen embedded-atom model, molecular dynamics simulations were used to predict the single-particle and collective time-dependent properties of the liquid metal; including the diffusion coefficient. It was found that the calculated values of the dynamic and self-dynamic structure factors were in reasonable agreement with the results of inelastic neutron-scattering experiments. The values of the diffusion constant, as calculated by using various means, were mutually consistent.

Computer Simulation Study of the Dynamic Properties of Liquid Ni using the Embedded-Atom Model M.M.G.Alemany, C.Rey, L.J.Gallego: Physical Review B, 1998, 58[2], 685-93