Computer Simulation of Diffusion of Pb-Bi Eutectic in Liquid Sodium by Molecular Dynamics Method

Lead-bismuth eutectic is a potential candidate for coolant of secondary loops of sodium-cooled fast breeder reactors (FBR). The studies on the diffusion of liquid Pb-Bi in liquid Na are carried out corresponding to the case that liquid Pb-Bi leaks to liquid Na by accident. As the diffusion processes are the results of atomic motions, molecular dynamics method has been used to study the diffusion process. The self-diffusion coefficients of pure liquid Pb and Na, and liquid Pb-Bi are calculated and compared with ones by the empirical equations. The discrepancy between them could be eliminated by changing the densities of the liquids. The diffusion of lead-bismuth in sodium is simulated based on the changed densities under which the self-diffusion coefficients of individual liquid metals are close to those by the empirical equations. The simulation results show that the diffusion process of liquid Pb-Bi in liquid Na is a heat releasing process and the density of ternary liquid Na-Pb-Bi is higher than the average value of the densities of liquid Na and liquid Pb-Bi. It is also found that the diffusion coefficients of liquid Pb-Bi in liquid Na are much higher than their self-diffusion coefficients, indicating that liquid Pb-Bi are easy and quickly to diffuse in liquid Na. However, the diffusion coefficient of liquid Na is decreased due to the existence of liquid Pb-Bi, implying that liquid Na-Pb-Bi have a higher viscosity than that of pure liquid Na.