2 papers
cond-mat.mtrl-sci2026
DFT and MLIP study of solute segregation to coherent and semi-coherent α-Fe/FeC interfaces
Amin Reiners-Sakic, Ronald Schnitzer, David Holec
Solute segregation to interfaces significantly impacts material behavior. A large majority of theoretical works focus on grain boundaries and coherent interfaces. Studies on semi-c…
cond-mat.mtrl-sci2025
Interstitials as a key ingredient for P segregation to grain boundaries in polycrystalline -Fe
Amin Reiners-Sakic, Alexander Reichmann, Christoph Dösinger +2
The segregation of solutes to grain boundaries can significantly influence material behavior. Most previous computational studies have concentrated on substitutional solute segrega…