Molecular dynamics study of the interaction between nanoscale interstitial dislocation loops and grain boundaries in BCC iron

摘要

AbstractAtomic simulations are used to investigate the interaction between nanoscale interstitial dislocation loops and grain boundaries (GBs), the subsequent evolution of the GBs' structures, and the resulting impact on mechanical properties, in BCC iron. The interaction between loops and GBs —Σ3{111}andΣ3{112}— is affected by the angle (θ) between the Burgers vector and the normal to the GB plane, as well as by the distribution of free volume (FV) and stress. Loops can be totally absorbed byΣ3{111}boundaries, while the interaction withΣ3{112}boundaries is