Prefer a chat interface with context about you and your work?
Effects of dilute substitutional solutes on interstitial carbon in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>α</mml:mi></mml:math>-Fe: Interactions and associated carbon diffusion from first-principles calculations
By means of first-principles calculations coupled with the kinetic Monte Carlo simulations, we have systematically investigated the effects of dilute substitutional solutes on the behaviors of carbon in $\ensuremath{\alpha}$-Fe. Our results uncover the following. (i) Without the Fe vacancy the interactions between most solutes and carbon are repulsive due to …