  Understanding the retention of hydrogen isotopes in liquid metals, such as
lithium and tin, is of great importance in designing a liquid plasma-facing
component in fusion reactors. However, experimental diffusivity data of
hydrogen isotopes in liquid metals are still limited or controversial. We
employ first-principles molecular dynamics simulations to predict diffusion
coefficients of deuterium in liquid tin at temperatures ranging from 573 to
1673 K. Our simulations indicate faster diffusion of deuterium in liquid tin
than the self-diffusivity of tin. In addition, we find that the structural and
dynamic properties of tin are insensitive to the inserted deuterium at
temperatures and concentrations considered. We also observe that tin and
deuterium do not form stable solid compounds. These predicted results from
simulations enable us to have a better understanding of the retention of
hydrogen isotopes in liquid tin.

Soft Condensed Matter