Effects of Carbon on Void Nucleation in Self-Ion-Irradiated Pure Iron

Impurities such as carbon atoms play a significant role in the void swelling of irradiated metals. The phenomenon is important to both materials designs in which impurities are intentionally introduced and accelerator-based ion irradiation testing in which impurities are introduced unintentionally as contaminants. Here, we report rate theory simulations of void nucleation in pure Fe, which are irradiated by 5-MeV Fe ions, as one typical irradiation condition used in nuclear material testing. Based on kinetics obtained previously from ab initio calculations, Multiphysics Object-Oriented Simulation Environment (MOOSE)-based numerical solvers were used to simulate defect distributions and void nucleation. Vacancy-carbon interactions increase the effective migration energies of carbon and decrease the diffusivity prefactors. The vacancy mobility reduction decreases both interstitial flux and vacancy flux. However, the vacancy flux reduction is more significant than that of interstitials, leading to reduced void nucleation in bulk. On the other hand, reduced vacancy flux toward the surface leads to local vacancy pileups, leading to locally enhanced void nucleation. These two combined effects make the void nucleation profile deviate from the displacements per atom (dpa) peak, and void swelling peaks shift to the near-surface region. The transition from deep swelling to near-surface swelling is plotted as a function of dpa rate, carbon concentration, and temperature. The study shows that the swelling peak shifting caused by the carbon effect can be avoided by either reducing dpa rates or increasing irradiation temperatures. The study is important to understand swelling behaviors and to optimize irradiation parameters for accelerator-based swelling testing.