International Journal of Engineering and Technology

Based on Sjoegren und Sjoelander’s Mode-Coupling(MC)-Model, we have calculated the memory kernel (MK) of the Velocity Autocorrelation Function (VACF) in simulated Ni20Zr80-liquids. We have also constructed the memory kernel of VACF for our binary system, instead of one for one atomic system of the Sjögren und Sjolander’s model. The data required for the theoretical calculations have been obtained from molecular dynamics (MD) simulations. The theoretical results then are compared with those directly obtained from computer simulation. Although it exists a qualitative agreement between theoretical predictions and simulation results, we found that quantitatively there is an deviations between both results, especially for Zr-subsystem.