jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Khaled Belhouchet | Abdelhafid Bayadi | Nadjim Alti | Lyamine Ouchen
Source: Diagnostyka (article, 2021-04-01)
Field: Materials Science — Materials Chemistry

Effects analysis of the pollution layer parameters on a high-voltage porcelain cylindrical insulator using response surface methodology The influences of the pollution layer parameters including; conductivity, position and length on the performance of high-voltage cylindrical insulator were investigated. Parameters effects and their interactions have been assessed and determined using the variance statistical technique and the relation between parameters and the flashover voltage, maximum electric field and the breakdown strength is modeled by the response surface methodology (RMS). The 3D model from Comsol Multiphysics was used for modeling and the FEM method was utilized for simulations. The findings demonstrate that the flashover voltage of the non-uniformly contaminated surface is primarily affected by the pollution layer length. Simulation results show that the intensity of the electric field rises with the increasing in length of pollution layer and its position. It was noted that the experimental tests in laboratory for non-uniform contamination are in strong alignment with simulation studies. The results of this analysis should expand our understanding about the performance of outdoor insulators under specific contaminated conditions. The knowledge gathered can be used to enhance the configuration of insulators used in contaminated regions and it is believed that the current study has resulted methodology to estimate reliably and realistically the pollution performance of cylindrical porcelain insulators. Insulator (electricity) ; Arc flash ; Response surface methodology ; Voltage ; Artificial neural network ; Computer science ; Engineering physics ; Electrical engineering ; Materials science ; Electronic engineering ; Engineering ; Artificial intelligence ; Machine learning High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Surface Roughness and Optical Measurements
Authors: Hamed Hamzehbahmani
Source: Journal of Applied Physics (article, 2021-08-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Static hysteresis modeling for grain-oriented electrical steels based on the phenomenological concepts of energy loss mechanism This paper proposes an advanced approach to construct static hysteresis loop of Grain-Oriented (GO) electrical steels for dynamic modeling and energy loss analysis. The proposed approach is in line with the magnetic hysteresis and phenomenological concepts of rate-dependent and rate-independent energy loss components of ferromagnetic materials under time-varying magnetic fields. The proposed method can predominantly describe energy loss mechanism and magnetization processes of the material. Accuracy of this technique was validated on Epstein size laminations of 3% GO silicon steels. The results explicitly confirmed the effectiveness of the proposed method in dynamic hysteresis modeling of GO electrical steels at magnetizing frequencies up to 1 kHz and peak flux densities up to 1.7 T. Electrical steel ; Phenomenological model ; Materials science ; Hysteresis ; Magnetic hysteresis ; Ferromagnetism ; Magnetization ; Magnetic flux ; Condensed matter physics ; Preisach model of hysteresis ; Grain size ; Magnetic field ; Metallurgy ; Physics Magnetic Properties and Applications ; Microstructure and Mechanical Properties of Steels ; Electric Motor Design and Analysis
Authors: Chansong Hwang | Changyeun Mo | Youngwook Seo | Jongguk Lim | Insuck Baek | Moon S. Kim
Source: Applied Sciences (article, 2021-01-05)
Field: Chemistry — Analytical Chemistry

Development of Fluorescence Imaging Technique to Detect Fresh-Cut Food Organic Residue on Processing Equipment Surface With increasing public demand for ready-to-eat fresh-cut food products, proper sanitation of food-processing equipment surfaces is essential to mitigate potential contamination of these products to ensure safe consumption. This study presents a sanitation monitoring technique using hyperspectral fluorescence images to detect fruit residues on food-processing equipment surfaces. An algorithm to detect residues on the surfaces of 2B-finished and #4-finished stainless-steel, both commonly used in food processing equipment, was developed. Honeydew, orange, apple, and watermelon were selected as representatives since they are mainly used as fresh-cut fruits. Hyperspectral fluorescence images were obtained for stainless steel sheets to which droplets of selected fruit juices at six concentrations were applied and allowed to dry. The most significant wavelengths for detecting juice at each concentration were selected through ANOVA analysis. Algorithms using a single waveband and using a ratio of two wavebands were developed for each sample and for all the samples combined. Results showed that detection accuracies were better for the samples with higher concentrations. The integrated algorithm had a detection accuracy of 100% and above 95%, respectively, for the original juice up to the 1:20 diluted samples and for the more dilute 1:50 to 1:100 samples, respectively. The results of this study establish that using hyperspectral imaging, even a small residual quantity that may exist on the surface of food processing equipment can be detected and that sanitation monitoring and management is possible. Hyperspectral imaging ; Environmental science ; Contamination ; Food processing ; Residue (chemistry) ; Orange juice ; Residual ; Pulp and paper industry ; Food science ; Remote sensing ; Mathematics ; Chemistry ; Engineering ; Geography ; Biology Spectroscopy and Chemometric Analyses ; Identification and Quantification in Food ; Listeria monocytogenes in Food Safety
Authors: Joshua Mitton | Hans Martin Senn | Klaas Wynne | Roderick Murray‐Smith
Source: arXiv (Cornell University) (preprint, 2021-04-09)
Field: Materials Science — Materials Chemistry

A Graph VAE and Graph Transformer Approach to Generating Molecular Graphs We propose a combination of a variational autoencoder and a transformer based model which fully utilises graph convolutional and graph pooling layers to operate directly on graphs. The transformer model implements a novel node encoding layer, replacing the position encoding typically used in transformers, to create a transformer with no position information that operates on graphs, encoding adjacent node properties into the edge generation process. The proposed model builds on graph generative work operating on graphs with edge features, creating a model that offers improved scalability with the number of nodes in a graph. In addition, our model is capable of learning a disentangled, interpretable latent space that represents graph properties through a mapping between latent variables and graph properties. In experiments we chose a benchmark task of molecular generation, given the importance of both generated node and edge features. Using the QM9 dataset we demonstrate that our model performs strongly across the task of generating valid, unique and novel molecules. Finally, we demonstrate that the model is interpretable by generating molecules controlled by molecular properties, and we then analyse and visualise the learned latent representation. Computer science ; Theoretical computer science ; Scalability ; Transformer ; Graph ; Algorithm ; Artificial intelligence Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Advanced Graph Neural Networks
Authors: Madhurima Das | Preetam Guha Ray | Santanu Dhara | Somenath Roy
Source: Materials Chemistry and Physics (article, 2021-11-26)
Field: Materials Science — Polymers and Plastics

Symbiotically Augmented removal of Congo red by polyaniline/cobalt sulfide/graphite composites Congo red ; Polyaniline ; Composite number ; Materials science ; Cobalt sulfide ; Adsorption ; Ternary operation ; Cobalt ; Chemical engineering ; Aqueous solution ; Sulfide ; Diffusion ; Composite material ; Chemistry ; Metallurgy ; Organic chemistry ; Polymer ; Electrochemistry ; Polymerization Conducting polymers and applications ; Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal
Authors: Ai Hsin | Su-Chun How | Steven Wang | Chien Wei Ooi | Chen‐Yaw Chiu | Yu-Kaung Chang
Source: Membranes (article, 2021-12-07)
Field: Materials Science — Biomaterials

Kinetic and Thermodynamic Studies of Lysozyme Adsorption on Cibacron Blue F3GA Dye-Ligand Immobilized on Aminated Nanofiber Membrane The polyacrylonitrile (PAN) nanofiber membrane was prepared by the electrospinning technique. The nitrile group on the PAN nanofiber surface was oxidized to carboxyl group by alkaline hydrolysis. The carboxylic group on the membrane surface was then converted to dye affinity membrane through reaction with ethylenediamine (EDA) and Cibacron Blue F3GA, sequentially. The adsorption characteristics of lysozyme onto the dye ligand affinity nanofiber membrane (namely P-EDA-Dye) were investigated under various conditions (e.g., adsorption pH, EDA coupling concentration, lysozyme concentration, ionic strength, and temperature). Optimum experimental parameters were determined to be pH 7.5, a coupling concentration of EDA 40 μmol/mL, and an immobilization density of dye 267.19 mg/g membrane. To understand the mechanism of adsorption and possible rate controlling steps, a pseudo first-order, a pseudo second-order, and the Elovich models were first used to describe the experimental kinetic data. Equilibrium isotherms for the adsorption of lysozyme onto P-EDA-Dye nanofiber membrane were determined experimentally in this work. Our kinetic analysis on the adsorption of lysozyme onto P-EDA-Dye nanofiber membranes revealed that the pseudo second-order rate equation was favorable. The experimental data were satisfactorily fitted by the Langmuir isotherm model, and the thermodynamic parameters including the free energy change, enthalpy change, and entropy change of adsorption were also determined accordingly. Our results indicated that the free energy change had a negative value, suggesting that the adsorption process occurred spontaneously. Moreover, after five cycles of reuse, P-EDA-Dye nanofiber membranes still showed promising efficiency of lysozyme adsorption. Membrane ; Adsorption ; Nanofiber ; Chemistry ; Polyacrylonitrile ; Electrospinning ; Langmuir adsorption model ; Lysozyme ; Enthalpy ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Thermodynamics ; Polymer Electrospun Nanofibers in Biomedical Applications ; Electrohydrodynamics and Fluid Dynamics ; Membrane Separation Technologies
Authors: Mei Meng | Bo Bai | Dan Zheng | Na Hu | Honglun Wang
Source: RSC Advances (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Novel fabrication of a yeast biochar-based photothermal-responsive platform for controlled imidacloprid release For improving the utilization efficiency of pesticides, we developed a novel pesticide delivery particle (YINCP@EC) with a core-shell structure based on yeast biochar, imidacloprid (IMI), ammonium bicarbonate (NH<sub>4</sub>HCO<sub>3</sub>), calcium alginate (CA), and ethyl cellulose (EC). Therein, yeast biochar, IMI and NH<sub>4</sub>HCO<sub>3</sub> were absorbed in the network-structured of CA to obtain YINCP through hydrogen bonds. The resulting composite was granulated using an ion gelation technique and then coated with EC to form YINCP@EC. In this platform, yeast biochar serving as a photothermal agent can efficiently convert sunlight energy into thermal energy, thereby triggering NH<sub>4</sub>HCO<sub>3</sub> decomposition into CO<sub>2</sub> and NH<sub>3</sub> that can break through the EC coating and facilitate IMI release. In addition, the influence of yeast biochar content, pH, and coexisting ions was systematically studied to evaluate the release behavior of IMI from YINCP@EC. Moreover, the hydrophobic EC shell endowed YINCP@EC with high stability in aqueous solution for at least 60 days. Consequently, this novel composite with simple preparation, low cost and remarkable photothermal-responsive properties has a huge application potential in agriculture. Biochar ; Photothermal therapy ; Imidacloprid ; Fabrication ; Yeast ; Chemistry ; Nanotechnology ; Adsorption ; Chemical engineering ; Biophysics ; Materials science ; Biochemistry ; Biology ; Pesticide ; Organic chemistry ; Medicine ; Agronomy Quantum Dots Synthesis And Properties ; Solar-Powered Water Purification Methods ; Electrowetting and Microfluidic Technologies
Authors: Hao Ting Chin | Mario Hofmann | Su Yu Huang | Song Fu Yao | Jian Jhang Lee | Chia Chun Chen | Chu Chi Ting | Ya‐Ping Hsieh
Source: npj 2D Materials and Applications (article, 2021-03-05)
Field: Materials Science — Materials Chemistry

Ultra-thin 2D transition metal monochalcogenide crystals by planarized reactions Abstract We here present a planarized solid-state chemical reaction that can produce transition metal monochalcogenide (TMMC) 2D crystals with large lateral extent and finely controllable thickness down to individual layers. The enhanced lateral diffusion of a gaseous reactant at the interface between a solid precursor and graphene was found to provide a universal route towards layered TMMCs of different compositions. A unique layer-by-layer growth mechanism yields atomically abrupt crystal interfaces and kinetically controllable thickness down to a single TMMC layer. Our approach stabilizes 2D crystals with commonly unattainable thermodynamic phases, such as β-Cu 2 S and γ-CuSe, and spectroscopic characterization reveals ultra-large phase transition depression and interesting electronic properties. The presented ability to produce large-scale 2D crystals with high environmental stability was applied to highly sensitive and fast optoelectronic sensors. Our approach extends the morphological, compositional, and thermodynamic complexity of 2D materials. Materials science ; Layer (electronics) ; Crystal (programming language) ; Graphene ; Diffusion ; Transition metal ; Chemical physics ; Phase transition ; Nanoscopic scale ; Chemical stability ; Transition layer ; Characterization (materials science) ; Solid-state ; Nanotechnology ; Chemical engineering ; Physical chemistry ; Condensed matter physics ; Chemistry ; Catalysis ; Thermodynamics 2D Materials and Applications ; ZnO doping and properties ; Quantum Dots Synthesis And Properties
Authors: Valeria Gabrielli | Agne Kuraite | Marcelo Alves da Silva | Karen J. Edler | Jesús Angulo | Ridvan Nepravishta | Juan C. Muñoz–García | Yaroslav Z. Khimyak
Source: Journal of Colloid and Interface Science (article, 2021-03-09)
Field: Chemistry — Organic Chemistry

Spin diffusion transfer difference (SDTD) NMR: An advanced method for the characterisation of water structuration within particle networks The Spin Diffusion Transfer Difference (SDTD) NMR protocol is independent of the gelator and solvent concentrations, hence allowing the estimation of the degree of solvent structuration within different particle networks. In addition, the simulation of SDTD build-up curves using the general one-dimensional diffusion equation allows the determination of minimum distances (r) and spin diffusion rates (D) at the particle/solvent interface. This novel NMR protocol can be readily extended to characterise the solvent(s) organisation in any type of colloidal systems constituted by large particles. Solvent ; Diffusion ; Spin diffusion ; Particle (ecology) ; Chemistry ; Solvent effects ; Proton NMR ; Chemical physics ; Materials science ; Organic chemistry ; Thermodynamics ; Physics Surfactants and Colloidal Systems ; Spectroscopy and Quantum Chemical Studies ; Lipid Membrane Structure and Behavior
Authors: Alexander Muravsky | Anatoli Murauski | I. N. Kukhta | Alina S. Yakovleva
Source: Journal of the Society for Information Display (article, 2021-05-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

High anchoring photoalignment material based on new photo‐induced hole dipoles' mechanism Abstract Flat nonprofiled surface of photoalignment AtA‐2 azo‐dye layer possesses simultaneously low molecular orientation anisotropy and strong azimuthal anchoring energy. We explain how flat surface of alignment layer orients nematic liquid crystal and show the existence of the new photoalignment mechanism based on photo‐induced hole dipole moments in the azo‐dye layer. The dependence of anchoring energy coefficient on the square of dipole moments of the alignment layer and the liquid crystal layer is formulated, grounding the idea of chemical modification of AtA‐2 azo‐dye with molecular dipole moment ~16D to obtain novel high anchoring photoalignment material. The new AtA‐0042 azo‐dye with molecular dipole moment ~27.5D is synthesized and experimentally verified. Strong azimuthal anchoring energy over &gt;1.4 × 10 −4 J/m 2 is obtained for AtA‐0042 photoalignment material layer with ~40 mJ/cm 2 exposure dose. Anchoring ; Dipole ; Liquid crystal ; Layer (electronics) ; Materials science ; Moment (physics) ; Anisotropy ; Azimuth ; Optics ; Optoelectronics ; Chemical physics ; Nanotechnology ; Chemistry ; Physics ; Organic chemistry Liquid Crystal Research Advancements ; Photonic Crystals and Applications ; Photonic and Optical Devices
Authors: Daniel Diehl | Eduardo Luís Schneider | Thomas Clarke
Source: Tecnologia em Metalurgia Materiais e Mineração (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Formation of hydrogen blisters during the solution treatment for aluminum alloys The solution treatment of aluminum alloys can be restricted by the presence of porosity defects caused by the moisture present in the process or by the hydrated front on the material surface. Hydrogen blisters cause deleterious effects on mechanical properties and surface finish. However, the formation of bubbles in solid aluminum is not caused only by the known reaction 2Al+3H 2 O=3H 2 +Al 2 O 3 , as it does not explain the interaction of the aluminum oxide layer with the formation mechanisms. In addition, the literature approaches show that there is more than one mechanism for the formation of these defects, but no work has made an association between them. Thus, the objective of this work is to carry out extensive research on the state of the art of hydrogen blister formation in aluminum alloys during the solubilization heat treatment. Contemplating different proposed mechanisms of bubble formation on the surface and structure, the analysis of this association of approaches indicated that the mechanisms depend on both permeability, where the hydrated oxide front creates passage for the formation of blister in the sublayer, as well as diffusion and hydrogen solubility in the microstructure. Blisters ; Hydrogen ; Materials science ; Aluminium ; Oxide ; Microstructure ; Porosity ; Liquid bubble ; Solubility ; Chemical engineering ; Bubble ; Composite material ; Metal ; Surface finish ; Metallurgy ; Chemistry ; Physical chemistry ; Organic chemistry Anodic Oxide Films and Nanostructures ; Corrosion Behavior and Inhibition ; High-Temperature Coating Behaviors
Authors: Anne M. Hofmeister
Source: Materials (article, 2021-01-18)
Field: Materials Science — Materials Chemistry

Dependence of Heat Transport in Solids on Length-Scale, Pressure, and Temperature: Implications for Mechanisms and Thermodynamics Accurate laser-flash measurements of thermal diffusivity (<i>D</i>) of diverse bulk solids at moderate temperature (<i>T</i>), with thickness <i>L</i> of ~0.03 to 10 mm, reveal that <i>D</i>(<i>T</i>) = <i>D</i> <sub>∞</sub>(<i>T</i>)[1 - exp(-<i>bL</i>)]. When <i>L</i> is several mm, <i>D</i> <sub>∞</sub>(<i>T</i>) = F<i>T</i> <sup>-G</sup> + H<i>T</i>, where F is constant, G is ~1 or 0, and H (for insulators) is ~0.001. The attenuation parameter <i>b</i> = 6.19<i>D</i> <sub>∞</sub> <sup>-0.477</sup> at 298 K for electrical insulators, elements, and alloys. Dimensional analysis confirms that <i>D</i> → 0 as <i>L</i> → 0, which is consistent with heat diffusion, requiring a medium. Thermal conductivity (<i>κ</i>) behaves similarly, being proportional to <i>D</i>. Attenuation describing heat conduction signifies that light is the diffusing entity in solids. A radiative transfer model with 1 free parameter that represents a simplified absorption coefficient describes the complex form for <i>κ</i>(<i>T</i>) of solids, including its strong peak at cryogenic temperatures. Three parameters describe <i>κ</i> with a secondary peak and/or a high-<i>T</i> increase. The strong length dependence and experimental difficulties in diamond anvil studies have yielded problematic transport properties. Reliable low-pressure data on diverse thick samples reveal a new thermodynamic formula for specific heat (∂ln(<i>c<sub>P</sub> </i>)/∂<i>P</i> = -linear compressibility), which leads to ∂ln(<i>κ</i>)/∂<i>P</i> = linear compressibility + ∂lnα/∂<i>P</i>, where α is thermal expansivity. These formulae support that heat conduction in solids equals diffusion of light down the thermal gradient, since changing <i>P</i> alters the space occupied by matter, but not by light. Thermal diffusivity ; Thermodynamics ; Thermal conduction ; Thermal conductivity ; Compressibility ; Diffusion ; Heat capacity ; Heat transfer ; Chemistry ; Materials science ; Physics Thermal properties of materials ; High-pressure geophysics and materials ; Thermography and Photoacoustic Techniques
Authors: Andrew A. Ezazi | Wen‐Yang Gao | David C. Powers
Source: ChemCatChem (article, 2021-01-20)
Field: Chemistry — Inorganic Chemistry

Leveraging Exchange Kinetics for the Synthesis of Atomically Precise Porous Catalysts Abstract Metal‐organic frameworks (MOFs) have attracted significant attention as porous catalyst platforms due to the synthetic modularity of these materials and the diversity of lattice‐confined catalytic active sites that are readily embedded within periodic crystalline frameworks. MOFs offer platforms to heterogenize molecular catalysts, stabilize novel coordination motifs, and leverage confinement effects in catalysis. Crystallinity allows diffraction‐based methods to be employed in the characterization of these catalysts. Access to crystalline MOFs typically requires reversible construction of the metal−ligand (M−L) bonds that connect the SBUs, which provides a mechanism to anneal defects during crystallization. While the required M−L bond reversibility is often promoted by synthesis at elevated temperature, access to crystalline materials based on either transition metals with characteristic slow exchange kinetics or highly basic donor ligands remains a synthetic challenge. Here, we highlight synthetic strategies that leverage M−L exchange kinetics to access MOFs based on kinetically inert ions and extensions of these strategies to the assembly of atomically precise multimetallic materials. Catalysis ; Materials science ; Crystallinity ; Kinetics ; SBus ; Nanotechnology ; Inert ; Chemical engineering ; Metal-organic framework ; Template ; Chemistry ; Physical chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Magnetism in coordination complexes