Effect of Ni and Al on the Decomposition Kinetics and Stability of Cu-Enriched Precipitates in Fe–Cu–Ni–Al Alloys: Results of MD + MC Simulation

To understand the effects of doping elements on the formation and structure of Сu-enriched precipitates, different stages of Fe–Cu–Ni–Al alloy decomposition are studied using the combined MC + MD approach, which includes the Monte Carlo (MC) and molecular dynamics (MD) simulations. It is shown that the surface of the precipitates enriches in the doping elements at early stages of the decomposition, which is significant for the structure stability against the bcc → 9R transition of the copper enriched precipitates.