COMPUTER-SIMULATION STUDY OF THE DYNAMIC PROPERTIES OF LIQUID NI USING THE EMBEDDED-ATOM MODEL

Using the Voter and Chen version of the embedded-atom model, we carrie d out molecular-dynamics simulations to compute both single-particle a nd collective lime-dependent properties of liquid Ni, and thereby calc ulated its diffusion constant and shear viscosity, for the latter of w hich experimental values are available. The calculated values of the d ynamic and self-dynamic structure factors are generally in reasonable agreement with the results of inelastic-neutron-scattering experiments . The values calculated for the diffusion constant by several differen t routes are mutually consistent. The values of the shear viscosity ob tained by several different methods are all very similar to available experimental values. [S0163-1829(98)02126-2].