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cond-mat.mtrl-sci2025
Inversion of Dislocation-Impurity Interactions in -Fe under Magnetic State Changes
Franco Moitzi, Lorenz Romaner, Andrei V. Ruban +3
In this work, we investigate the dislocation-impurity interaction energies and their profiles for various \textit{3d} elements \textemdash V, Cr, Mn, Cu, Ni, and Co \textemdash in…
cond-mat.mtrl-sci2024
Ab initio framework for deciphering trade-off relationships in multi-component alloys
Franco Moitzi, Lorenz Romaner, Max Hodapp +2
While first-principles methods have been successfully applied to characterize individual properties of multi-principal element alloys (MPEA), their use to search for optimal trade-…