Diffusion properties of liquid lithium–lead alloys from atomistic simulation

Liquid Li and Li–Pb alloy are the most potential candidate materials for the blanket of thermonuclear fusion reactor. In the present paper, the diffusion behaviors of liquid Li, Pb and Li–Pb alloys are studied by molecular dynamics simulations with a modified analytical embedded atom method potential. The obtained diffusion coefficients of liquid Li and Pb are in good agreement with the experimental results. For liquid Li–Pb alloys, the mutual diffusion coefficient increases monotonously with increasing Li content, while the diffusion coefficients of components do not increase until the concentration of Li is more than 50%.