SKM 2023 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 28: Bulk Materials: Soft and Hard Permanent Magnets
MA 28.5: Vortrag
Mittwoch, 29. März 2023, 10:30–10:45, POT 6
MAELAS: MAgneto-ELAStic properties calculation via computational high-throughput approach — Pablo Nieves1, Sergiu Arapan1, Shihao Zhang2, Andrzej Kadzielawa1, Ruifeng Zhang2, and •Dominik Legut1 — 1IT4Innovations, VSB-TU Ostrava, Ostrava, Czech Republic — 2School of Mat. Sci. and Eng., Beihang University, Beijing, China
Magnetostriction is a physical phenomenon in which the process of magnetization induces a change in the shape or dimension of a magnetic material. Nowadays, materials with large magnetostriction are used in many electromagnetic microdevices as actuators and sensors. By contrast, magnetic materials with extremely low magnetostriction are required in applications such as electric transformers. In this work, we present results based on the in-house developed code MAELAS to determine anisotropic magnetostriction coefficients and magnetoelastic constants in an automated way by quantum-mechanical calculations. The behavior of the magnetocrystalline anisotropy energy and magnetostrictive coefficients under a general external magnetic field could be visualized as a relative length change using our MAELASviewer tool. To verify accuracy and our approach in general we present a number of examples of each crystal symmetry class with calculated magnetostriction and magnetoelastic constants and compare them with recorded data. One of our highlights with this novel approach is an ability to separate exchange-striction (ωs) from the magnetic part and to avoid the calculation of the paramagnetic state that is still a challenge.