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Machine learning Hubbard parameters with equivariant neural networks
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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Enhancement of Aeroengine Combustion Chamber Air Cooling Holes Design for Emission Reduction and Pattern Factor Control
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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Immobilization of Amorphous NiB Nanoparticles on Mesoporous Supports: Superior Catalysis for Controllably Hydrolyzing NaBH4 to Release H2
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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1765
Evaluation of the Acute Hepatoprotective Potential of Hydroethanolic Extract of Duranta erecta L. Parts
Published 2020-01-01Get full text
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1767
Green catalysts AuNPs/CQDs from turmeric starch: an effective solution in 4-Nitrophenol reduction
Published 2025-01-01Get full text
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1769
Pollution Characteristics of Sb, As, Hg, Pb, Cd, and Zn in Soils from Different Zones of Xikuangshan Antimony Mine
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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1770
MILK FATTY ACID COMPOSITION IN HOLSTEIN COWS UNDER CHRONIC HEAT STRESS CONDITIONS
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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1771
Improving of Surface Quality of Metal Reflector Mirrors Machined by Single Point Diamond Turning
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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1772
TiO2 Nanocoatings with Controllable Crystal Type and Nanoscale Topography on Zirconia Implants to Accelerate Bone Formation
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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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
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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Nanoparticles assisted drug delivery for effective management of Glioblastoma
Published 2025-01-01Get full text
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1776
Nano-Azo Ligand and Its Superhydrophobic Complexes: Synthesis, Characterization, DFT, Contact Angle, Molecular Docking, and Antimicrobial Studies
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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Electro-Oxidation of Glycerol on Core–Shell M@Pt/C (M = Co, Ni, Sn) Catalysts in Alkaline Medium
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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Effect of Silicone Oil on Dispersion and Low-Temperature Fracture Performance of Crumb Rubber Asphalt
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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ALKALOHALOPHILIC BACTERIA OF THE FAMILY BACILLACEAE IN THE LAKES OF THE BADAIN JARAN DESERT (CHINA)
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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Electrical mutual switching in a noncollinear-antiferromagnetic–ferromagnetic heterostructure
Published 2025-02-01Get full text
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