2 papers
cond-mat.mtrl-sci2025
Complexions at the Iron-Magnetite Interface
Xuyang Zhou, Baptiste Bienvenu, Yuxiang Wu +3
Synthesizing distinct phases and controlling the crystalline defects in them are key concepts in materials and process design. These approaches are usually described by decoupled t…
cond-mat.mtrl-sci2024
Development of an Atomic Cluster Expansion potential for iron and its oxides
Baptiste Bienvenu, Mira Todorova, Jörg Neugebauer +4
The combined structural and electronic complexity of iron oxides poses many challenges to atomistic modeling. To leverage limitations in terms of the accessible length and time sca…