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In this work, we investigate the dislocation-impurity interaction energiesand their profiles for various \textit{3d} elements \textemdash V, Cr, Mn, Cu,Ni, and Co \textemdash in and around $1/2\langle111\rangle$ screw dislocationsin $\alpha$-Fe using \textit{ab initio} methods. We consider the ferromagneticand paramagnetic states, with the latter being modeled through both thedisordered local moment model and a spin-wave approach. Our findings revealthat (1) magnetic effects are large compared to size misfit effects ofsubstitutional impurities, and (2) dislocation-impurity interactions aredependent on the magnetic state of the matrix and thermal lattice expansion. Inparticular, Cu changes from core-attractive in the ferromagnetic state torepulsive in the paramagnetic state.

Inversion of Dislocation-Impurity Interactions in $\alpha$-Fe under Magnetic State Changes