Molecular dynamic simulation of helium diffusion in ring dislocation in UO2 nanocrystal: A comparison of interaction potentials.

Molecular dynamic simulation of helium diffusion within a ring dislocation inside a stoichiometric UO2 nanocrystal was carried out. Two different sets interaction potentials were used. One of the sets was characterized by a significantly stronger binding of helium to the crystal lattice. Temperature dependencies of the diffusion coefficient along the dislocation line were obtained. It was shown that the strengthening in the binding of helium led both to a decrease in the diffusion coefficient of the atom and to an increase in the temperatures at which the model dislocation was annealed. [ABSTRACT FROM AUTHOR]