📝 SummarXiv

Abstract

Low-angle grain boundaries (LAGBs) are often regarded as penetrable interfaces to dislocation motion, yet recent studies suggest they can also act as strong barriers. The origin of this duality remains debated, particularly regarding the role of elastic interactions. Here, large-scale molecular dynamics simulations are employed to investigate dislocation transmission across various tilt LAGBs in BCC Fe. The results show that transmission resistance varies widely with boundary-dislocation geometry. Contrary to the prevailing view that dislocation reactions dominate, elastic interactions between lattice and boundary dislocations emerge as the primary controlling factor. Screw and screw-like dislocations generate shear stresses that bend GB dislocations and produce strong barriers, whereas edge dislocations lack such stresses and transmit more readily. Consequently, barrier strength increases as the dislocation character angle decreases, with screw dislocations experiencing the strongest resistance. An analytical model is developed that quantitatively predicts the net transmission stress, in excellent agreement with simulations. These findings establish a mechanistic framework for LAGB-dislocation interactions and offer guidance for designing LAGB-strengthened materials.