Atomistic simulation of self-diffusion and interfacial diffusion of liquid lead

Abstract A liquid metal cooled nuclear reactor, liquid metal fast reactor is an advanced type of nuclear reactor where the primary coolant is a liquid metal. Liquid metal has safety advantages and it allows a much higher power density than traditional coolants. Disadvantages include difficulties associated with inspection and corrosion problems. For a clear understanding of those phenomena related to diffusion, a study of self-diffusion and mutual diffusion in liquid metals is of critical importance. The molecular dynamics (MD) computer simulation technique has been used to study the self-diffusion and mutual diffusion processes of liquid lead. The diffusion coefficients and activation energy of liquid lead self-diffusion are calculated and the values are consistent with those in experimental results. The mutual diffusion relationship between the activation energy for liquid lead and solid iron is similar to previous results.