Unravelling the mechanisms of copper precipitation-induced strengthening in austenitic stainless steels: An atomistic approach

Abstract

Copper addition in austenitic stainless steel is known to provide good high-temperature strength through precipitation strengthening. However, the mechanism of such strengthening and its overall contribution to strength in austenitic stainless steels have not been adequately investigated. The present work employs molecular dynamics (MD) simulation to investigate the interaction between an edge dislocation and copper precipitate in austenitic stainless steel. The mechanism controlling the strength was found to be trailing partial detachment for smaller precipitates up to a maximum radius of 3 nm, whereas leading partial detachment controls the strength for larger precipitate sizes, irrespective of the inter-precipitate spacing. Besides, modulus strengthening was identified as the primary strengthening contributor for the coherent Cu precipitate in the present alloy, which was subsequently aligned with the theoretical predictions by the existing Russell-Brown (R-B) model, adopting some modifications. The discrepancy between the simulation results and the original R-B model is attributed to the interaction between the two partial dislocations in presence of the precipitate. The modified R-B model was then used in combination with Thermo-calc and DICTRA predictions to estimate the strength of Cu-added austenitic stainless steel. However, the predictions overestimated the experimental data due to the model's inability to account for the random distribution of precipitates. To address this limitation, a subsequent discrete dislocation dynamics (DDD) simulation was conducted, incorporating a random distribution of Cu precipitates. Finally, the DDD simulation results demonstrated a good match with the experimental results, which can be further extended to other alloy systems as well.