A statistical approach combined with molecular dynamics simulations is used to study the influence of hydrogen on intergranular decohesion. This methodology is applied to a Ni Σ3(112)[11¯0] symmetric tilt grain boundary. Hydrogenated grain boundaries with different H concentrations are constructed using an energy minimization technique with initial H atom positions guided by Monte Carlo simulation results. Decohesion behavior is assessed through extraction of a traction–separation relationship during steady-state crack propagation in a statistically meaningful approach, building upon prior work employing atomistic cohesive zone volume elements (CZVEs). A sensitivity analysis is performed on the numerical approach used to extract the traction–separation relationships, clarifying the role of CZVE size, threshold parameters necessary to differentiate elastic and decohesion responses, and the numerical averaging technique. Results show that increasing H coverage at the Ni Σ3(112)[11¯0] grain boundary asymmetrically influences the crack tip velocity during propagation, leads to a general decrease in the work of separation required for crack propagation, and provides a reduction in the peak stress in the extracted traction–separation relationship. Furthermore the present framework offers a meaningful vehicle to pass atomistically derived interfacial behavior to higher length scale formulations for intergranular fracture.
For long-term storage, spent nuclear fuel (SNF) is placed in dry storage cask systems, commonly consisting of welded stainless steel containers enclosed in ventilated cement or steel overpacks. At near-marine sites, failure by chloride-induced stress corrosion cracking (SCC) due to deliquescence of deposited salt aerosols is a major concern. This paper presents a preliminary probabilistic performance assessment model to assess canister penetration by SCC. The model first determines whether conditions for salt deliquescence are present at any given location on the canister surface, using an abstracted waste package thermal model and site-specific weather data (ambient temperature and absolute humidity). As the canister cools and aqueous conditions become possible, corrosion is assumed to initiate and is modeled as pitting (initiation and growth). With increasing penetration, pits convert to SCC and a crack growth model is implemented. The SCC growth model includes rate dependencies on temperature and crack tip stress intensity factor. The amount of penetration represents the summed effect of corrosion during time steps when aqueous conditions are predicted to occur. Model results and sensitivity analyses provide information on the impact of model assumptions and parameter values on predicted storage canister performance, and provide guidance for further research to reduce uncertainties.
Transmission electron microscopy (TEM) is a valuable methodology for investigating radiation-induced microstructural changes and elucidating the underlying mechanisms involved in the aging and degradation of nuclear reactor materials. However, the use of electrons for imaging may result in several inadvertent effects that can potentially change the microstructure and mechanisms active in the material being investigated. In this study, in situ TEM characterization is performed on nanocrystalline nickel samples under self-ion irradiation and post irradiation annealing. During annealing, voids are formed around 200 °C only in the area illuminated by the electron beam. Based on diffraction patterns analyses, it is hypothesized that the electron beam enhanced the growth of a NiO layer resulting in a decrease of vacancy mobility during annealing. The electron beam used to investigate self-ion irradiation ultimately significantly affected the type of defects formed and the final defect microstructure.