In this study, we systematically investigate the influence of stress states, relative locations, and orientations of crack—γ/γ′ phase interfaces on the deformation and crack propagation behaviors of the Ni-based superalloy through molecular dynamics simulations. The stress state with high stress triaxiality will impede the plastic deformation process of the system, thereby promoting brittle crack propagation within the system. But the stress state of low stress triaxiality results in obvious plastic deformation and plastic crack propagation behaviors of the system. The deformation system with cracks located in both the γ and γ′ phase exhibits the slowest growth rate, regardless of applied stress states. Additionally, the deformation process demonstrates prominent plastic behavior. For the deformation system with cracks perpendicular to the γ/γ′ phase interface, the γ/γ′ phase interface will hinder the crack propagation. Our research provides interesting observations on deformation and crack propagation behaviors at an atomic level and at a nano-scale which are important for understanding deformation and fracture behaviors at a macroscopic scale for the Ni-based superalloy.

Based on a molecular dynamics (MD) simulation, we investigated the nanohole propagation behaviors of single-crystal nickel (Ni) under different styles of Ni–Ni interatomic potentials. The results show that the MEAM (the modified embedded atom method potential) potential is best suited to describe the brittle propagation behavior of nanoholes in single-crystal Ni. The EAM/FS (embedded atom method potential developed by Finnis and Sinclair) potential, meanwhile, is effective at characterizing the plastic growth behavior of nanoholes in single-crystal Ni. Furthermore, the results show the difference between the different styles of interatomic potentials in characterizing nanohole propagation in single-crystal Ni and provide a theoretical basis for the selection of interatomic potentials in the MD simulation of Ni crystals.

In this study, M50NiL steel was carburized (C), nitrided (N), and compound-carburized then nitrided (C + N). Vein-like grain boundaries (VLGBs) were observed in the diffusion layers of both the N and C + N states due to the limited opportunity for diffusion. Transmission electron microscopy (TEM) observation revealed that the VLGB organization differed in the N and C + N states. The VLGB organization consisted mainly of Fe₄N in the N state and Fe₃C and Fe₄N in the C + N state. When the C state was pre-modified by a 200 MPa water jet and then nitrided (C + 200P + N), the increase in dislocation density resulted in a dislocation entanglement phenomenon that split the grains to form subcrystals. The increases in grain boundaries and dislocation density promoted the diffusion of atoms, and thus the VLGB structure was not observed in the diffusion layer of the C + 200P + N state.