jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Chie Hoon Song
Source: Energies (article, 2023-02-22)
Field: Materials Science — Materials Chemistry

Examining the Patent Landscape of E-Fuel Technology Although the end of combustion engine vehicles seems inevitable under a new climate target for 2030, a complete ban on the combustion engine would be counterproductive. E-fuels, which are produced using renewable electricity from hydrogen and carbon dioxide, could act as a possible large-scale solution for achieving climate-neutral mobility, as they allow us to reduce greenhouse gas emissions while leveraging the existing energy infrastructure. Against such a background, it is critical to examine how the related technological landscape is constructed and might affect the subsequent knowledge generation. By adopting a social-network perspective, the aim of this study is to investigate the degree of technological knowledge relatedness of e-fuel technology using patent data. This is accomplished by analyzing the influence of individual knowledge areas and categorizing them into a matrix model, with each quadrant playing a unique role. The main findings show that the patent landscape is dominated by applications from the private sector, and the main knowledge base is centered around chemical engineering and production techniques for liquid hydrocarbon mixture. Furthermore, the analyzed knowledge flows are dominated by intra-technology knowledge flows, thereby being less prone to convergent technology evolution. In particular, the knowledge areas C10L 01 and C10J 03 demonstrated a high influencer role. The findings can also support R&amp;D advisors and decision makers in policy development in reducing their efforts required for conducting technical intelligence activities and determining adequate policies for R&amp;D portfolio management. Climate change ; Renewable energy ; Environmental economics ; Greenhouse gas ; Business ; Portfolio ; Knowledge transfer ; Knowledge base ; Industrial organization ; Knowledge management ; Computer science ; Economics ; Engineering Machine Learning in Materials Science ; Innovation Diffusion and Forecasting ; CO2 Reduction Techniques and Catalysts
Authors: Amri Amri | Aldes Lesbani | Risfidian Mohadi
Source: Science & Technology Indonesia (article, 2023-04-15)
Field: Chemistry — Organic Chemistry

Malachite Green Dye Adsorption from Aqueous Solution using a Ni/Al Layered Double Hydroxide-Graphene Oxide Composite Material Ni/Al layered double hydroxide and Ni/Al-graphene oxide composite materials were created using the coprecipitation method. The materials were successfully synthesized and prepared using XRD, FT-IR, and BET studies. The optimal pH as a result of malachite green dye adsorption is pH 4. The kinetics models of all materials follow the pseudo second order model. After being composited with graphene oxide, the maximum adsorption capacity of Ni/Al layered double hydroxide increased from 99.010 to 111.111 mg/g. All materials’ isotherm models adhere to the Langmuir isotherm model. The adsorption process was endothermic and spontaneous. The Ni/Al-graphene oxide composite material has a more stable structure than the Ni/Al layered double hydroxide. The regeneration procedure was repeated five times, and the Ni/Al-graphene oxide composite material did not show a significant decrease until the fifth cycle, when it dropped from 97.561 to 77.046%, however the Ni/Al layered double hydroxide material dropped rapidly from 85.00 to 5.667%. Graphene ; Hydroxide ; Malachite green ; Adsorption ; Oxide ; Langmuir adsorption model ; Materials science ; Layered double hydroxides ; Coprecipitation ; Composite number ; Hydrotalcite ; Endothermic process ; Chemical engineering ; Aqueous solution ; Inorganic chemistry ; Chemistry ; Composite material ; Nanotechnology ; Metallurgy ; Catalysis ; Organic chemistry Nanomaterials for catalytic reactions ; Layered Double Hydroxides Synthesis and Applications
Authors: Lu Zhang | Lei Sun | Wensen Wang | Yanhua Han | Lu Pu | Jingfeng Wu | Hao Wu
Source: IET Science Measurement & Technology (article, 2023-10-12)
Field: Materials Science — Materials Chemistry

Intelligent monitoring of EHV transformer bushing based on multi‐parameter composite sensing technology Abstract In order to monitor the state of bushing online, an intelligent monitoring system for transformer bushing was developed. A four‐in‐one sensor integrating hydrogen sensing technology using palladium nickel alloy, pressure sensing technology, wide range temperature sensing, and micro water measurement technology was developed. A three‐in‐one integrated sensor based on micro current detection technology was developed to realize online monitoring of bushing dielectric loss, capacitance, and partial discharge. The test results show the hydrogen measurement range of sensor is 0 to 10,000 μL/L, and the measurement uncertainty is lower than 10% or 10 μL/L. The pressure measurement range is 0 to 1.0 MPa, and the uncertainty is lower than 0.3%. The temperature measurement range is −40°C to 85°C, and the uncertainty is lower than ± 1°C. The micro water measurement range is 0 to 1000 μL/L, and the measurement uncertainty is lower than ± 5% or 10 μL/L. The dielectric loss and capacitance error increased by one order of magnitude compared to current standards. The resolution of partial discharge is 5 pC. The performance of the device fully satisfies the requirements for online monitoring of transformer bushing. It has been installed in dozens of 330 and 750 kV substations, providing a reliable guarantee for safe operation of transformer bushing. Bushing ; Partial discharge ; Capacitance ; Transformer ; Electrical engineering ; Current transformer ; Materials science ; Pressure measurement ; Current sensor ; System of measurement ; Pressure sensor ; Electronic engineering ; Voltage ; Engineering ; Mechanical engineering ; Composite material ; Electrode ; Physics High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Magneto-Optical Properties and Applications
Authors: Smruti R. Sahoo | Chun-Ta Huang | K.L. Tsai | Gou‐Jen Wang | Cheng‐Chung Chang
Source: Applied Physics Reviews (article, 2023-10-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A multiscale 3D hotspot-rich nanostructured substrate for biomolecular detection of SARS-CoV-2 The current fabrication methods of surface-enhanced Raman scattering (SERS) chips used for biological detection mostly require antibodies conjugated on nanostructured metals or additionally connected to a reporter, which leads to complicated fabrication processes and increases the cost of these chips. More importantly, only a single-layer (2D) signal source is generated on the substrate of the chip, resulting in poor sensitivity. Herein, we constructed a single-component, multiscale, three-dimensional SERS (M3D-SERS) substrate from silver nanowires (AgNWs) packing. According to our results, the Raman enhancement effect of the M3D-SERS substrate was related to the degree of AgNWs stacking along the z axis. In addition, the light source-dependent plasmonic partition and hotspot formation of the M3D-SERS substrate were evaluated by the finite integration technique to prove that M3D-SERS offers advantages, with isotropic localized surface plasmon resonance as well as homogeneous hotspot distribution, for SERS over its 1D and 2D counterparts. Experimentally, the optimal construction of the M3D-SERS chip was explored and established based on the Raman signal enhancement of bovine serum albumin, and consequently, the efficiency of the M3D-SERS chip in detecting SARS-CoV-2-related biomolecules was investigated based on the detection superiority to biomolecules. This study demonstrates a simple, label-free, pre-treatment-free potential biosensor technology that can be used in healthcare units. Furthermore, in combination with a suitable laser light source, this technology can be applied for efficient detection in point-of-care tests with a handheld spectrometer. Materials science ; Biomolecule ; Raman scattering ; Nanotechnology ; Biochip ; Raman spectroscopy ; Surface plasmon resonance ; Plasmon ; Biosensor ; Fabrication ; Optoelectronics ; Nanoparticle ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Advanced biosensing and bioanalysis techniques
Authors: Jia‐Yu Hsu | Ren‐Jei Chung | Yen‐Ling Kuo | Chun Che Lin | Natalia Majewska | Dominik Kreft | Sebastian Mahlik | Mu‐Huai Fang
Source: Advanced Optical Materials (article, 2023-04-29)
Field: Materials Science — Materials Chemistry

Concentration‐Induced Hetero‐Valent Partial‐Inverse Occupation of Infrared Phosphor Abstract Infrared luminescent materials have evoked much attention from chemists and material scientists. Although substantial progress is made in materials design, the luminescent mechanism remains ambiguous in the complex structures, presenting major barriers to developing novel infrared luminescent materials. Herein, this study aims to deliberate a complete discussion on infrared phosphors with concentration‐induced hetero‐valent partial‐inverse occupation. High‐resolution synchrotron X‐ray diffraction and Raman spectroscopy reveal the subtle structural change in LiGa 5(1− x ) O 8 :5 x Cr 3+ . Besides, Cr K‐edge wavelet analysis and extended X‐ray absorption fine structure illustrate the impact of Cr in the second shell of another Cr ion and the practical coordination of Ga and Cr ions. Furthermore, unexpected two‐center Cr 3+ emissions and the Cr–Cr pair emission are observed at high Cr concentrations. Variation between the zero‐phonon line and N‐line at different temperatures is demonstrated. Finally, the structural and luminescent properties are comprehensively discussed, providing the origin of the unexpected Cr2 emission. This study not only provides insight into the hetero‐valent partial‐inverse occupation process in inorganic materials but also sheds light on developing novel infrared luminescent materials. Phosphor ; Luminescence ; Infrared ; Raman spectroscopy ; Materials science ; Infrared spectroscopy ; Ion ; Optoelectronics ; Optics ; Chemistry ; Physics Luminescence Properties of Advanced Materials ; Microwave Dielectric Ceramics Synthesis ; Inorganic Chemistry and Materials
Authors: Fanny Broch | Lina El Hajji | Nicolas Pietrancosta | Arnaud Gautier
Source: ACS Sensors (article, 2023-10-13)
Field: Chemistry — Organic Chemistry

Engineering of Tunable Allosteric-like Fluorogenic Protein Sensors Optical protein sensors that enable detection of relevant biomolecules of interest play central roles in biological research. Coupling fluorescent reporters with protein sensing units has enabled the development of a wide range of biosensors that recognize analytes with high selectivity. In these sensors, analyte recognition induces a conformational change in the protein sensing unit that can modulate the optical signal of the fluorescent reporter. Here, we explore various designs for the creation of tunable allosteric-like fluorogenic protein sensors through incorporation of sensing protein units within the chemogenetic fluorescence-activating and absorption-shifting tag (FAST) that selectively binds and stabilizes the fluorescent state of 4-hydroxybenzylidene rhodanine (HBR) analogs. Conformational coupling allowed us to design analyte-responsive optical protein sensors through allosteric-like modulation of fluorogen binding. Allosteric regulation ; Analyte ; Fluorescence ; Biosensor ; Biomolecule ; Chemistry ; Rhodanine ; Biophysics ; Nanotechnology ; Materials science ; Biochemistry ; Enzyme ; Biology ; Chromatography Click Chemistry and Applications ; Advanced Fluorescence Microscopy Techniques ; Advanced Biosensing Techniques and Applications
Authors: Shomik Verma | Daniel Farrell | Rachel C. Evans
Source: ACS Applied Optical Materials (article, 2023-05-11)
Field: Chemistry — Physical and Theoretical Chemistry

Ray-Trace Modeling to Characterize Efficiency of Unconventional Luminescent Solar Concentrator Geometries Luminescent solar concentrators (LSCs) are a promising technology to help integrate solar cells into the built environment, as they are colorful, semitransparent, and can collect diffuse light. While LSCs have traditionally been cuboidal, in recent years, a variety of unconventional geometries have arisen, for example, circular, curved, polygonal, wedged, and leaf-shaped designs. These new designs can help reduce optical losses, facilitate incorporation into the built environment, or unlock new applications. However, as fabrication of complex geometries can be time- and resource-intensive, the ability to simulate the expected LSC performance prior to production would be highly advantageous. While a variety of software exists to model LSCs, it either cannot be applied to unconventional geometries, is not open-source, or is not tractable for most users. Therefore, here we introduce a significant upgrade of the widely used Monte Carlo ray-trace software pvtrace to include: (i) the capability to characterize unconventional geometries and improved relevance to standard measurement configurations; (ii) increased computational efficiency; and (iii) a graphical user interface (GUI) for ease-of-use. We first test these new features against data from the literature as well as experimental results from in-house fabricated LSCs, with agreement within 1% obtained for the simulated versus measured external photon efficiency. We then demonstrate the broad applicability of pvtrace by simulating 20 different unconventional geometries, including a variety of different shapes and manufacturing techniques. We show that pvtrace can be used to predict the optical efficiency of 3D-printed devices. The more versatile and accessible computational workflow afforded by our new features, coupled with 3D-printed prototypes, will enable rapid screening of more intricate LSC architectures, while reducing experimental waste. Our goal is that this accelerates sustainability-driven design in the LSC field, leading to higher optical efficiency or increased utility. Computer science ; Concentrator ; Workflow ; TRACE (psycholinguistics) ; Software ; Variety (cybernetics) ; Upgrade ; Graphical user interface ; Computational science ; Ray tracing (physics) ; Interface (matter) ; Optics ; Simulation ; Physics ; Artificial intelligence Photochemistry and Electron Transfer Studies ; Organic Light-Emitting Diodes Research ; TiO2 Photocatalysis and Solar Cells
Authors: Yinghua Wang | Yu-Bo Kong | Shi‐Tong Xu | Jie Li | Guangqiang Liu
Source: Photonics (article, 2023-03-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Simulated Studies of Polarization-Selectivity Multi-Band Perfect Absorber Based on Elliptical Metamaterial with Filtering and Sensing Effect In this work, the Ag-SiO2-Ag metamaterial with elliptical nano-slits was proposed to investigate the multi-band polarization-dependent perfect absorber. It was found that multi-band perfect absorptions can be induced under TE and TM-polarized illuminations. Simulation results showed that the absorption peaks for TE-polarized wave appeared at 337.6 THz and 360.0 THz with 98.5% and 97.6% absorbance, respectively. Conversely, the absorption peaks for TM-polarized wave appeared at 325.7 THz and 366.1 THz with 96.3% and 97.9% absorbance, respectively. As a result, the elliptical metamaterial presented polarization-selectivity property for perfect absorption, and so, the metamaterial can filter out different frequencies of TE- and TM-reflected waves, i.e., the elliptical metamaterial can be used as a reflecting filter. In addition, this work studied the sensing performance of the elliptical metamaterial and showed that the dual-band sensing performances were different at low and high frequencies. The sensitivities (S) to the refractive index reached up to 151.1 THz/RIU and 120.8 THz/RIU for the TE and TM-polarized waves around 337.6 THz and 325.7 THz, which provide promising potential in near-infrared photoelectric sensor and detector. However, both the absorption frequency and intensity of TM-polarized wave were insensitive to the refractive index of the medium around 366.1 THz, and so, the study provides a theoretical basis for infrared stealth of different media. Metamaterial ; Terahertz radiation ; Metamaterial absorber ; Optics ; Materials science ; Absorbance ; Refractive index ; Polarization (electrochemistry) ; Photoelectric effect ; Optoelectronics ; Absorption (acoustics) ; Absorption band ; Physics ; Tunable metamaterials ; Chemistry Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Plasmonic and Surface Plasmon Research
Authors: Lenard Röder | Linda Ort | Jos Lelieveld | Horst Fischer
Source: Research Square (preprint, 2023-11-20)
Field: Chemistry — Spectroscopy

Determination of Temporal Stability and Instrument Performance of an airborne QCLAS via Allan-Werle-plots Abstract Allan-Werle-plots are an established tool in infrared absorption spectroscopy to quantify temporal stability, maximum integration time and best achievable precision of a measurement instrument. In field measurements aboard a moving platform, however, long integration times reduce time resolution and smooth atmospheric variability. A high accuracy and time resolution are necessary as well as an appropriate estimate of the measurement uncertainty. In this study, Allan-Werle-plots of calibration gas measurements are studied to analyze the temporal characteristics of a Quantum Cascade Laser Absorption Spectrometer (QCLAS) instrument for airborne operation. Via least-squares fitting the individual noise contributions can be quantified and different dominant regimes can be identified. Through simulation of data according to the characteristics from the Allan-Werle-plot, the effects of selected intervals between in-flight calibrations can be analyzed. An interval of 30 min is found sufficient for successful drift correction during ground operation. The linear interpolation of the sensitivity increases the accuracy and lowers the measurement uncertainty from 1.1 % to 0.2 % . Airborne operation yields similar results during segments of stable flight but additional flicker and sinusoidal contributions. Simulations verify an appropriate interval of 30 min in airborne operation. The expected airborne measurement uncertainty is in the range 0.8 % to 2.4 % . Allan variance ; Stability (learning theory) ; Environmental science ; Remote sensing ; Calibration ; Spectrometer ; Time delay and integration ; Sensitivity (control systems) ; Noise (video) ; Range (aeronautics) ; Interpolation (computer graphics) ; Accuracy and precision ; Optics ; Computer science ; Mathematics ; Physics ; Engineering ; Statistics ; Geology ; Standard deviation ; Electronic engineering Spectroscopy and Laser Applications ; Atmospheric Ozone and Climate ; Atmospheric and Environmental Gas Dynamics
Authors: Akimitsu Ishii | Shinjiro Kikuchi | Akinori Yamanaka | Akiyasu Yamamoto
Source: Journal of Alloys and Compounds (article, 2023-08-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Application of Bayesian optimization to the synthesis process of BaFe2(As,P)2 polycrystalline bulk superconducting materials This study is the first application of Bayesian optimization to the synthesis process of superconducting materials. As a model case, the phase purity of BaFe2(As,P)2 polycrystalline bulks, which affects their superconducting properties, was improved by optimizing only the heat-treatment temperature using Bayesian optimization. We determined the optimal temperature among 800 candidates in 13 experiments, and a phase purity of 91.3% was achieved. Moreover, the phosphorus doping level of the best sample approached the optimal doping level owing to a reduction in the impurity phase. Visualization of the Bayesian optimization process showed that a well-balanced global search and local optimization allowed us to obtain a rough correlation between the superconducting properties and experimental conditions and finely optimal experimental conditions over a wide range. These results demonstrate that Bayesian optimization is promising for optimizing the synthesis process of superconducting materials. Superconductivity ; Materials science ; Crystallite ; Bayesian optimization ; Process optimization ; Phase (matter) ; Doping ; Process (computing) ; Bayesian probability ; Impurity ; Computer science ; Optoelectronics ; Condensed matter physics ; Metallurgy ; Chemistry ; Physics ; Chemical engineering ; Machine learning ; Artificial intelligence ; Engineering Iron-based superconductors research ; Physics of Superconductivity and Magnetism ; Superconductivity in MgB2 and Alloys
Authors: Hiroyuki Toda | Kyosuke Hirayama | Shogo Yamaguchi | Hiro Fujihara | Ryota Higa | Kazuyuki Shimizu | Akihisa Takeuchi | Masayuki Uesugi
Source: MATERIALS TRANSACTIONS (article, 2023-10-05)
Field: Materials Science — Metals and Alloys

Dominant Factors Controlling the Initiation of Hydrogen Embrittlement in Al–Zn–Mg Alloy Surrogate-based microstructural optimization was applied to model the relationship between local crystallographic microstructure and intergranular hydrogen embrittlement in an Al–Zn–Mg alloy, and a support vector machine with an infill sampling criterion was used to realise high-accuracy optimisation with a limited data set. This methodology integrates thoroughgoing microstructural quantification, two coarsening processes, and surrogate modelling. An objective function was defined together with 66 design parameters that quantitatively express size, shape, orientation and damage during specimen machining for surface grain boundaries and grains. The number of design parameters was then reduced from 66 to 3 during the two-step coarsening process. It has been clarified that intergranular crack initiation can be described using the simple size of grains and grain boundaries together with grain boundary orientation with respect to the loading direction. It can be inferred that these design parameters are of crucial importance in crack initiation through elevation in stress normal to grain boundaries. Correlation between the selected design parameters and crack initiation was somewhat weak compared to past applications of a similar technique to particle damage. The reason for this is discussed. The present approach offers a cost-efficient solution for the prevention of hydrogen embrittlement through 3D design of crystallographic microstructure that cannot be obtained using conventional strategies for developing materials. Materials science ; Grain boundary ; Embrittlement ; Microstructure ; Hydrogen embrittlement ; Intergranular fracture ; Metallurgy ; Intergranular corrosion ; Grain size ; Alloy ; Corrosion Hydrogen embrittlement and corrosion behaviors in metals ; Corrosion Behavior and Inhibition ; Aluminum Alloy Microstructure Properties
Authors: Hantong Chen | Sayan Samanta | Siya Zhu | Hagen Eckert | Jan Schroers | Stefano Curtarolo | Axel van de Walle
Source: Computational Materials Science (article, 2023-10-19)
Field: Materials Science — Materials Chemistry

Bayesian active machine learning for Cluster expansion construction Cluster expansion ; Cluster (spacecraft) ; Computer science ; Range (aeronautics) ; Bayesian probability ; Bayesian optimization ; Phase diagram ; Algorithm ; Bayesian inference ; Diagram ; Computational science ; Mathematical optimization ; Phase (matter) ; Statistical physics ; Machine learning ; Artificial intelligence ; Physics ; Mathematics ; Thermodynamics ; Engineering ; Aerospace engineering Machine Learning in Materials Science ; Advanced Materials Characterization Techniques ; Hydrogen embrittlement and corrosion behaviors in metals