Nuclear Science and Techniques

Abstract:

As one candidate of tritium storage materials, palladium subjects to the damage from helium atoms introduced by the b-decay of tritium atoms. The mechanical properties of palladium will be greatly degraded deriving from the accumulation of helium atoms. A set of interatomic potentials has been fitted based on ab initio calculation according to the Morse formula. Molecular dynamic methods are utilized to investigate the existence of H atoms on the release of helium atoms from palladium with the present fitted potentials. It is found that hydrogen atoms play significant roles in the diffusion and release of helium atoms. The presence of hydrogen atoms tends to obstacle the diffusion and release of helium atoms in palladium.

Key words: Molecular dynamics, Tritium storage materials, Ab initio calculation, Interatomic potentials, Palladium, b-Decay