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- ItemModulations in martensitic Heusler alloys originate from nanotwin ordering(London : Nature Publishing Group, 2018) Gruner, M.E.; Niemann, R.; Entel, P.; Pentcheva, R.; Rößler, U.K.; Nielsch, K.; Fähler, S.Heusler alloys exhibiting magnetic and martensitic transitions enable applications like magnetocaloric refrigeration and actuation based on the magnetic shape memory effect. Their outstanding functional properties depend on low hysteresis losses and low actuation fields. These are only achieved if the atomic positions deviate from a tetragonal lattice by periodic displacements. The origin of the so-called modulated structures is the subject of much controversy: They are either explained by phonon softening or adaptive nanotwinning. Here we used large-scale density functional theory calculations on the Ni2MnGa prototype system to demonstrate interaction energy between twin boundaries. Minimizing the interaction energy resulted in the experimentally observed ordered modulations at the atomic scale, it explained that a/b twin boundaries are stacking faults at the mesoscale, and contributed to the macroscopic hysteresis losses. Furthermore, we found that phonon softening paves the transformation path towards the nanotwinned martensite state. This unified both opposing concepts to explain modulated martensite.
- ItemThe Influence of Cu-Additions on the Microstructure, Mechanical and Magnetic Properties of MnAl-C Alloys(London : Nature Publishing Group, 2020) Jürries, F.; Freudenberger, J.; Nielsch, K.; Woodcock, T.G.Alloys of the form (Mn54Al44C2)100-xCux (with x = 0, 1, 2, 4 and 6) were produced by induction melting. After homogenisation and quenching, most of the alloys consist entirely of the retained ε-phase, except for x = 6, in which the κ-phase was additionally present. After subsequent annealing, the alloys with x ≤ 2 consist entirely of a Cu-doped, ferromagnetic τ-phase, whereas the alloys with x > 2 additionally contain the κ-phase. The polarisation of the alloys at an applied field of 14 T decreases with increasing Cu-content, which is attributed i) to the dilution of the magnetic moment of the τ-phase unit cell by the Cu atoms, which do not carry a magnetic moment, and ii) at higher Cu-contents, to the formation of the κ-phase, which has a much lower polarisation than the τ-phase and therefore dilutes the net polarisation of the alloys. The Curie temperature was not affected by the Cu-additions. The stress needed to die-upset the alloys with x ≤ 2 was similar to that of the undoped alloy, whereas it was much lower for x = 4 and 6, due to the presence of intergranular layers of the κ-phase. The extrinsic magnetic properties of alloys with x ≤ 2 were improved by die-upsetting, whereas decomposition of the τ-phase during processing had a deleterious effect on the magnetic properties for higher Cu-additions.