English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

By means of first-principles calculations coupled with the kinetic MonteCarlo simulations, we have systematically investigated the effects of dilutesubstitutional solutes on the behaviors of carbon in $\alpha$-Fe. Our resultsuncover that: ($i$) Without the Fe vacancy the interactions between mostsolutes and carbon are repulsive due to the strain relief, whereas Mn has aweak attractive interaction with its nearest-neighbor carbon due to the localferromagnetic coupling effect. ($ii$) The presence of the Fe vacancy results inattractive interactions of all the solutes with carbon. In particular, theMn-vacancy pair shows an exceptionally large binding energy of -0.81 eV withcarbon. ($iii$) The alloying addition significantly impacts the atomic-scaleconcentration distributions and chemical potential of carbon in the Fe matrix.Among them, Mn and Cr increase the carbon chemical potential whereas Al and Sireduce it. ($iv$) Within the dilute scale of the alloying solution, the soluteconcentration and temperature dependent carbon diffusivities demonstrate thatMn has a little impact on the carbon diffusion whereas Cr (Al or Si) remarkablyretards the carbon diffusion. Our results provide certain implication forbetter understanding the experimental observations related with the carbonsolubility limit, carbon micro-segregation and carbide precipitations in theferritic steels.

Effects of dilute substitutional solutes on carbon in $\alpha$-Fe: interactions and associated carbon diffusion from first-principles calculations