Abstract
We employed kinetic Monte Carlo simulations to investigate the precipitation of Cu in FeCu and FeCuX (X=B, N, and BN) alloys. The parameters of kinetic Monte Carlo simulations were obtained through first-principles calculations. In this study, we utilized a vacancy-mediated model that considers the migration barriers dependent on local impurity atomic environments. The dynamical stability of both FeCu and FeCuX (X=B, N, and BN) alloys was examined by the virtual crystal approximation method. Through the assessment of advancement factor, cluster number density, and mean cluster radius, the simulation results indicated that both B and N promote precipitation of Cu. While B doping has a minor effect, N doping significantly promotes Cu precipitation.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
