2, Sandia National Laboratories, Albuquerque, New Mexico, United States
An atomistic study of threshold displacement energy(TDE) has been conducted on two primary phases of metallic uranium by employing molecular dynamic simulations. The directional dependency of the TDE is investigated through the uniform sampling of the minimal symmetry area with respect to each phase lattice. A generalized cubic-subdivision sampling strategy is introduced for applications in orthorhombic lattices. The temperature dependent defect recover mechanisms are examined by testing the ground-state phase at three temperatures and observing the shifts in TDE. Effective TDE for each phase/temperature is calculated by averaging over all sampling directions and extrapolating the PKA energy that corresponds to displacement probability of 50%.