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The impact of magnetic transition on Mn diffusion in α-iron: Correlative state-of-the-art theoretical and experimental study

Abstract : An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal magnetic excitations and magnetic transitions. We investigate the diffusion of Mn in bcc Fe using a novel effective interaction model and first-principles based spin-space averaged relaxations in magnetically disordered systems. The theoretical results are compared with the dedicated radiotracer measurements of 54Mn diffusion in a wide temperature range of 773 to 1173 K, performed by combining the precision grinding (higher temperatures) and ion-beam sputtering (low temperatures) sectioning techniques. The temperature evolution of Mn diffusion coefficients in bcc iron in theory and exper- iment agree very well and consistently reveal a reduced acceleration of Mn solute diffusion around the Curie point. By analyzing the temperature dependencies of the ratio of Mn diffusion coefficients to self-diffusion coefficients we observe a dominance of magnetic disorder over chemical effects on high-temperature diffusion. Therefore, the missing acceleration mainly reflects an anomalous behaviour of Mn in the magnetically ordered low temperature state as compared to other transition metals.
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Submitted on : Wednesday, March 9, 2022 - 3:30:07 PM
Last modification on : Wednesday, August 31, 2022 - 4:46:23 PM

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Omkar Hegde, Vladislav Kulitckii, Anton Shneider, Frédéric Soisson, Tilmann Hickel, et al.. The impact of magnetic transition on Mn diffusion in α-iron: Correlative state-of-the-art theoretical and experimental study. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2021, 104 (18), pp.184107. ⟨10.1103/PhysRevB.104.184107⟩. ⟨cea-03602990⟩

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