Chang-Feng Wan

In this work, a crystal plasticity (CP)-based continuum modeling approach is employed to investigate the interaction between dislocations and coherent ${\gamma }^{″}$ precipitates in the Inconel 718 (IN718) superalloy. A finite element (FE) model is developed to accurately represent realistic microstructures in IN718, specifically incorporating a disk-shaped precipitate embedded within a matrix phase. A length-scale-dependent CP modeling simulation informed by molecular dynamics (MD) findings is conducted. The results indicate that the three ${\gamma }^{″}$ variants behave differently under uniaxial loading conditions, altering the deformation process in the $\gamma$ phase and leading to significant strain and stress heterogeneities. The presence of dislocation shearing in the ${\gamma }^{″}$ variants reduces the localization of strain and dislocation densities in the adjacent $\gamma$ phase. The strain gradient-governed geometrically necessary dislocation (GND) density plays a dominant role in influencing strain hardening behavior. The length scale effect is further quantified by considering four different precipitate sizes, with the major axis ranging from 12.5 nm to 100 nm. The findings show that smaller precipitate sizes result in stronger strain hardening, and the size of ${\gamma }^{″}$ precipitates significantly alters GND density evolution.

In the present paper, the dislocation-precipitate interaction in the Inconel 718 superalloy is studied by means of molecular dynamics simulation. The atomistic model composed of the ellipsoidal $N{i}_{3}Nb$ precipitate (γ″ phase) and the $Ni$ matrix is constructed, and tensile tests on the composite $N{i}_{3}Nb@Ni$ system along different loading directions are simulated. The dislocation propagation behaviors in the precipitate interior and at the surface of the precipitate are characterized. The results indicate that the dislocation shearing and bypassing simultaneously occur during plastic deformation. The contact position of the dislocation on the surface of the precipitate could affect the penetration depth of the dislocation. The maximum obstacle size, allowing for the dislocation shearing on the slip planes, is found to be close to 20 nm. The investigation of anisotropic plastic deformation behavior shows that the composite system under the loading direction along the major axis of the precipitate experiences stronger shear strain localizations than that with the loading direction along the minor axis of the precipitate. The precipitate size effect is quantified, indicating that the larger the precipitate, the lower the elastic limit of the flow stress of the composite system. The dislocation accumulations in the precipitate are also examined with the dislocation densities given on specific slip systems. These findings provide atomistic insights into the mechanical behavior of nickel-based superalloys with nano-precipitates.