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  1. 1761

    Machine learning Hubbard parameters with equivariant neural networks by Martin Uhrin, Austin Zadoks, Luca Binci, Nicola Marzari, Iurii Timrov

    Published 2025-01-01
    “…Here, we present a machine learning model based on equivariant neural networks which uses atomic occupation matrices as descriptors, directly capturing the electronic structure, local chemical environment, and oxidation states of the system at hand. …”
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    Article
  2. 1762
  3. 1763

    Enhancement of Aeroengine Combustion Chamber Air Cooling Holes Design for Emission Reduction and Pattern Factor Control by Masoud Hajivand

    Published 2024-12-01
    “…Further, the combustion of liquid kerosene (C10H22) with air, subsequent to the evaporation of fuel droplets, was simulated, and the Rosin-Rammler droplet size distribution was used in spray modeling for accurate depiction of fuel atomization. Both thermal and prompt formation mechanisms of NOx were considered, while k-ε model for turbulence was adapted to capture the nature of emission. …”
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  4. 1764

    Immobilization of Amorphous NiB Nanoparticles on Mesoporous Supports: Superior Catalysis for Controllably Hydrolyzing NaBH4 to Release H2 by Quanxing Liu, Jun Zhang, Xigang Du, Gang Mi, Yana Dong

    Published 2019-01-01
    “…The X-ray powder diffraction, transmission electron microscopy, and inductively coupled plasma atomic emission spectrometry were used to characterize the morphology and phase composition of the products. …”
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  5. 1765
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  9. 1769

    Pollution Characteristics of Sb, As, Hg, Pb, Cd, and Zn in Soils from Different Zones of Xikuangshan Antimony Mine by Saijun Zhou, Andrew Hursthouse, Tengshu Chen

    Published 2019-01-01
    “…Sixty soil samples from the four zones were taken for experimental work, and the contents and morphological characteristics of the six potentially toxic elements (PTEs) such as Sb, As, Hg, Pb, Cd, and Zn in the soil samples were measured by using a hydride generation atomic fluorescence spectrometer (AFS-9700). The results show that the soil of the mine area is seriously polluted. …”
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  10. 1770

    MILK FATTY ACID COMPOSITION IN HOLSTEIN COWS UNDER CHRONIC HEAT STRESS CONDITIONS by V. Danchuk, S. Midyk, V. Korniyenko, O. Izhboldina, N. Cherniy, А. Sydelnykov, V. Postoi, R. Mylostyvyi

    Published 2024-05-01
    “…The increase in the relative content of milk fatty acids in Holstein cows at THI of 74 occurs mainly due to fatty acids with 18 carbon atoms in the chain. Thus, the relative content of C18:1n9c under conditions of chronic heat stress (THI 74) was 26.75±1.27, this value is 4.07% higher than in milk collected in May at THI of 66 and by 4.21% higher than in milk collected in November at THI of 58.…”
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  11. 1771

    Improving of Surface Quality of Metal Reflector Mirrors Machined by Single Point Diamond Turning by G. A. Gusakov, G. V. Sharonov

    Published 2021-06-01
    “…The quality control of the surface treatment of the manufactured reflector mirrors was carried out by atomic force microscopy. The reflectivity and radiation resistance of these samples were also investigated.It is shown that an important problem in the manufacture of optical elements from aluminum alloys is the inhomogeneity of the structure of the initial material, associated with the presence of intermetallic inclusions. …”
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  12. 1772

    TiO2 Nanocoatings with Controllable Crystal Type and Nanoscale Topography on Zirconia Implants to Accelerate Bone Formation by Nan Li, Zhichao Liu, Guanqi Liu, Zhi Wang, Xianwei Guo, Chuanbin Guo, Jianmin Han

    Published 2022-01-01
    “…In this work, a microscale topography was prepared on a zirconia surface using hydrofluoric acid etching, and then a 50 nm TiO2 nanocoating was deposited via atomic layer deposition (ALD). Subsequently, an annealing treatment was used to transform the TiO2 from amorphous to anatase and simultaneously generate nanoscale topography. …”
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  13. 1773

    The sorption of Tebuconazole and Linuron from an Aqueous Environment with a Modified Sludge-Based Biochar: Effect, Mechanisms, and Its Persistent Free Radicals Study by Jingjie Yang, Hongwei Sun, Yucan Liu, Xiaohan Wang, Kamran Valizadeh

    Published 2021-01-01
    “…The g-factors for BC400, BC600, BCF400, and BCF600 were 2.0036, 2.0035, 2.0034, and 2.0033, respectively, indicating that the EPFRs mainly have a carbon-centered structure with adjacent oxygen atoms. In addition, to close to the actual situation, natural water (from YanTai) was collected to simulate pesticide contamination. …”
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  14. 1774
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  16. 1776

    Nano-Azo Ligand and Its Superhydrophobic Complexes: Synthesis, Characterization, DFT, Contact Angle, Molecular Docking, and Antimicrobial Studies by Gehad G. Mohamed, Walaa H. Mahmoud, Ahmed M. Refaat

    Published 2020-01-01
    “…The IR spectra revealed the binding of the azo ligand to the metal ions via two azo nitrogen atoms and protonated carboxylate O in a neutral tetradentate manner. …”
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  17. 1777

    Electro-Oxidation of Glycerol on Core–Shell M@Pt/C (M = Co, Ni, Sn) Catalysts in Alkaline Medium by Rudyere Nascimento Silva, Leandro Aparecido Pocrifka, Ermete Antolini, Raimundo Ribeiro Passos

    Published 2025-01-01
    “…Carbon-supported M@Pt/C (M = Co, Ni, Sn) catalysts with a 1:1 atomic ratio of metal (M) to platinum (Pt) were synthesized using a facile sodium borohydride reduction method. …”
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  18. 1778

    Effect of Silicone Oil on Dispersion and Low-Temperature Fracture Performance of Crumb Rubber Asphalt by Nonde Lushinga, Liping Cao, Zejiao Dong

    Published 2019-01-01
    “…In addition, fluorescence microscopy (FM), atomic force microscopy (AFM), and Fourier-transform infrared (FTIR) experiments were also conducted. …”
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  19. 1779

    ALKALOHALOPHILIC BACTERIA OF THE FAMILY BACILLACEAE IN THE LAKES OF THE BADAIN JARAN DESERT (CHINA) by E. B. Erdyneeva, A. A. Radnagurueva, N. L. Belkova, Z. B. Namsaraev, E. V. Lavrentieva

    Published 2018-05-01
    “…To study the hydrochemical indicators of water, the following methods were used: atomic emission spectrometry with inductively coupled plasma, ion chromatography and capillary electrophoresis. …”
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  20. 1780