In this paper, a two-dimensional characteristic unit was used to simulate the thermal–mechanical performance of a fully ceramic microencapsulated (FCM) fuel pellet, and the criterion of FCM structure integrity was discussed. FCM structure integrity can be reflected though the integrity of the silicon carbide (SiC) matrix or SiC layers because of the excellent fission retention capability of SiC ceramics. The maximum temperature of the SiC matrix under normal conditions of the pressure water reactor (PWR) environment was about 1390 K, which was lower than the decomposition point of SiC. The maximum hoop stress of the SiC matrix, especially the inner part, was up to about 1200 MPa, and the hoop stress of the non-fuel region part was lower than the inner part, which can be attributed to the deformation of tristructural-isotopic (TRISO) particles. The hoop stress of the SiC layers at the end of life was only about 180 MPa, which is much lower than the strength of the chemical vapor deposition (CVD)-SiC. The failure probability of the SiC layer was lower than 9 × 10⁻⁵; thus, the integrity of SiC layers and the fission retention capability were maintained. The structure integrity of FCM fuel was broken because the SiC matrix cracked.

FeCrAl alloys have been suggested as one of the most promising fuel cladding materials for the development of accident tolerance fuel. Creep is one of the important mechanical properties of the FeCrAl alloys used as fuel claddings under high temperature conditions. This work aims to elucidate the deformation feature and underlying mechanism during the creep process of nanocrystalline FeCrAl alloys using atomistic simulations. The creep curves at different conditions are simulated for FeCrAl alloys with grain sizes (GS) of 5.6–40 nm, and the dependence of creep on temperature, stress and GS are analyzed. The transitions of the mechanisms are analyzed by stress and GS exponents firstly, and further checked not only from microstructural evidence, but also from a vital comparison of activation energies for creep and diffusion. Under low stress conditions, grain boundary (GB) diffusion contributes more to the overall creep deformation than lattice diffusion does for the alloy with small GSs. However, for the alloy with larger GSs, lattice diffusion controls creep. Additionally, a high temperature helps the transition of diffusional creep from the GB to the dominant lattice. Under medium- and high-stress conditions, GB slip and dislocation motion begin to control the creep mechanism. The amount of GB slip increases with the temperature, or decreases with GS. GS and temperature also have an impact on the dislocation behavior. The higher the temperature or the smaller the GS is, the smaller the stress at which the dislocation motion begins to affect creep.

FeCrAl exhibits excellent resistance to high temperatures, corrosion, and irradiation, making it a prime candidate material for accident-tolerant fuel (ATF) cladding. This study investigates the high-temperature creep behavior of FeCrAl alloys with grain sizes of 12.0 μm and 9.9 μm under temperatures ranging from 450 °C to 650 °C and applied stresses between 75 and 200 MPa. The texture, grain morphology, grain orientation, and dislocation density of FeCrAl were characterized by electron backscatter diffraction (EBSD). The results indicate that temperature, applied stress, and grain size are the primary factors governing high-temperature creep behavior. The material texture showed no significant difference before and after creep. Large grains tend to engulf smaller ones during the creep process at lower temperatures and stresses, reducing the proportion of low-angle grain boundaries (LAGBs). In contrast, at higher temperatures or under higher stress, dislocations proliferate within grains, leading to a significant increase in the number of LAGBs. As the applied stress increases, the dominant creep mechanism tends to convert from grain boundary sliding to dislocation motion. Moreover, higher temperatures or smaller grain sizes lower the critical stress required to activate dislocation motion and significantly increase dislocation density, severely degrading the creep resistance.

FeCrAl alloys have garnered considerable attention as candidate cladding materials for light water reactors due to their promising mechanical stability and irradiation resistance. However, the response characteristics of these alloys to irradiation and the associated mechanisms remain poorly understood. This study provides atomistic insights into irradiation-induced defect formation and microstructural evolution in polycrystalline FeCrAl. Using the LAMMPS molecular dynamics code, displacement cascades were simulated under irradiation doses ranging from 0.05 dpa to 0.5 dpa while evaluating the dependencies on temperature and grain size. The interaction between pre-existing defects and irradiation-induced microstructures (point defects, dislocations, clusters, etc.) was visualized and analyzed visually and quantitatively. The results indicate that the irradiation dose increases the number of surviving Frenkel pairs, whereas elevated temperatures reduce their stability. The cluster fraction of interstitials increases with both irradiation dose and temperature, while that of vacancies decreases at higher temperatures due to their lower stability. In the initial phase of the displacement cascade, the density and distribution of dislocations evolve continuously until the annealing stage. The dislocation density at the end of the annealing phase decreases with increasing dose and temperature. The thickness of grain boundaries increases with the irradiation dose, and the regions adjacent to grain boundaries transform into an amorphous state at higher dose levels. As both the irradiation dose and temperature increase, the amorphization process accelerates, and smaller grain size leads to a greater degree of amorphization.

Hydrogen embrittlement is a critical issue for zirconium alloys, which receives long-term attention in their applications. The formation of brittle hydrides facilitates crack initiation and propagation, thereby significantly reducing the material’s ductility. This study investigates the tensile properties and hydride morphology of a novel zirconium alloy under different hydrogen-charging current densities ranging from 0 to 300 mA/cm², aiming to clarify the influence of hydrides on the fracture behavior of the alloy. The mechanical property results reveal that, as the hydrogen-charging current density increases from 0 to 100 mA/cm², the maximal elongation decreases from 24.99% to 21.87%. When the current density is further increased from 100 mA/cm² to 200 mA/cm², the maximal elongation remains basically unchanged. However, a substantial drop in elongation is observed as the hydrogen-charging current density rises from 200 mA/cm² to 300 mA/cm², decreasing from 20.77% to 15.18%, which indicates a marked deterioration in hydrogen embrittlement resistance. Subsequently, phase compositions, fracture morphology, and hydride types in the fracture region of tensile specimens were characterized. The morphology and quantity of hydrides change with increasing hydrogen-charging current density. When the hydrogen-charging current density reaches 100 mA/cm², the δ-phase hydrides form, which significantly reduces the ductility of the zirconium alloy. At a hydrogen-charging current density of 200 mA/cm², metastable ζ-phase hydrides are formed, resulting in negligible variations in the alloy’s mechanical properties. However, when it comes to 300 mA/cm², stable δ-phase hydrides with diverse morphologies form, leading to a pronounced degradation in tensile performance. Finally, by integrating mechanical tests with microstructural characterization, the influence of hydrides formed under different hydrogen-charging current densities on the zirconium alloy was analyzed. With increasing hydrogen-charging current density, the maximal elongation of the specimens gradually decreases, while the tensile strength steadily increases. At a hydrogen-charging current density of 300 mA/cm², a larger amount of hydrides is formed, and the hydride type transitions completely from a mixture of δ-phase and ζ-phase hydrides to entirely δ-phase hydrides. The formation of lath-like δ-phase hydrides induces twinning structures, resulting in further lattice mismatch, which significantly reduces the maximal elongation of the zirconium alloy. Additionally, the morphology of the δ-phase hydrides changes from slender needle-like structures to lath-like structures, leading to a notable increase in internal stress, which in turn further enhances the tensile strength of the specimens.