Computational prediction of new magnetic materials

The discovery of new magnetic materials is a big challenge in the field of modern materials science. We report the development of a new extension of the evolutionary algorithm USPEX, enabling the search for half-metals (materials that are metallic only in one spin channel) and hard magnetic materials. First, we enabled the simultaneous optimization of stoichiometries, crystal structures, and magnetic structures of stable phases. Second, we developed a new fitness function for half-metallic materials that can be used for predicting half-metals through an evolutionary algorithm. We used this extended technique to predict new, potentially hard magnets and rediscover known half-metals. In total, we report five promising hard magnets with high energy product (|BH|MAX), anisotropy field (Ha), and magnetic hardness (κ) and a few half-metal phases in the Cr-O system. A comparison of our predictions with experimental results, including the synthesis of a newly predicted antiferromagnetic material (WMnB2), shows the robustness of our technique. © 2022 Author(s).Russian Science Foundation, RSF, (19-72-30043)The theoretical study of ferromagnets and DFT + DMFT calculations were supported by the Russian Science Foundation (Grant No. 19-72-30043). We thank Dr. V. A. Mukhanov for assistance in high-pressure experiments and I. V. Blinov, P. Y. Plechov, and A. N. Vasilyev for their help in the initial stages of this project

The Sariçiçek Howardite Fall in Turkey: Source Crater of HED Meteorites on Vesta and İmpact Risk of Vestoids

The Sariçiçek howardite meteorite shower consisting of 343 documented stones occurred on 2 September 2015 in Turkey and is the first documented howardite fall. Cosmogenic isotopes show that Sariçiçek experienced a complex cosmic ray exposure history, exposed during ~12–14 Ma in a regolith near the surface of a parent asteroid, and that an ~1 m sized meteoroid was launched by an impact 22 ± 2 Ma ago to Earth (as did one third of all HED meteorites). SIMS dating of zircon and baddeleyite yielded 4550.4 ± 2.5 Ma and 4553 ± 8.8 Ma crystallization ages for the basaltic magma clasts. The apatite U-Pb age of 4525 ± 17 Ma, K-Ar age of ~3.9 Ga, and the U,Th-He ages of 1.8 ± 0.7 and 2.6 ± 0.3 Ga are interpreted to represent thermal metamorphic and impact-related resetting ages, respectively. Petrographic, geochemical and O-, Cr- and Tiisotopic studies confirm that Sariçiçek belongs to the normal clan of HED meteorites. Petrographic observations and analysis of organic material indicate a small portion of carbonaceous chondrite material in the Sariçiçek regolith and organic contamination of the meteorite after a few days on soil. Video observations of the fall show an atmospheric entry at 17.3 ± 0.8 kms-1 from NW, fragmentations at 37, 33, 31 and 27 km altitude, and provide a pre-atmospheric orbit that is the first dynamical link between the normal HED meteorite clan and the inner Main Belt. Spectral data indicate the similarity of Sariçiçek with the Vesta asteroid family (V-class) spectra, a group of asteroids stretching to delivery resonances, which includes (4) Vesta. Dynamical modeling of meteoroid delivery to Earth shows that the complete disruption of a ~1 km sized Vesta family asteroid or a ~10 km sized impact crater on Vesta is required to provide sufficient meteoroids ≤4 m in size to account for the influx of meteorites from this HED clan. The 16.7 km diameter Antonia impact crater on Vesta was formed on terrain of the same age as given by the 4He retention age of Sariçiçek. Lunar scaling for crater production to crater counts of its ejecta blanket show it was formed ~22 Ma ago

The impact of high heating rates on the austenitization process of 18NiCrMo5 steel

This paper is focused on the study of the effect of high heating rates on austenite formation of 18NiCrMo5 steel. The prior martensitic microstructure was characterized with scanning electron microscopy and Vicker micro-hardness. Then dilatometric tests were performed at 12 different heating rates (in the range of 100 - 3000\ub0C/s), to evaluate the critical points and the key factor governing the austenite formation with high heating rates. After these tests, the microstructures obtained were analyzed by optical microscopy, scanning and transmission electron microscopy. The Ac1 and Ac3 temperatures initially increased with heating rate, reaching a maximum and then decrased. The formation of austenite from martensite, with low heating rates, was diffusive, whereas with high heating rates, it took place through a displacive mechanism. Moreover, a higher dislocation density characterized the austenite obtained with high heating rates