jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhenwei Wu | Jean‐Louis Barrat | Walter Kob
Source: Nature Communications (article, 2025-12-05)
Field: Materials Science — Materials Chemistry

On the geometry of topological defects in glasses Recent studies have revealed a series of connections between the topological features of structural glasses and their material properties. These findings show a striking resemblance to results observed in quantum physics that underscore the significance of the nature of the wavefunction. However, so far the structural arrangement of the topological defects in glasses has remained elusive. Here, we investigate numerically the geometry and statistical properties of the topological defects related to the vibrational eigenmodes of a prototypical three-dimensional glass. We find that at low frequencies these defects form scale-invariant, quasi-linear structures and dictate the morphology of plastic events when the system is subjected to a quasi-static shear, i.e., the eigenmode geometry shapes the plastic behavior in 3D glasses. Our results indicate the presence of a profound connection between the topology of eigenmodes and plastic energy dissipation in disordered materials, thus generalizing the known link identified in crystalline materials. Topology (electrical circuits) ; Connection (principal bundle) ; Topological defect ; Dissipation ; Quantum ; Topological insulator ; Normal mode Material Dynamics and Properties ; Chemical and Physical Properties of Materials ; Nonlinear Photonic Systems
Authors: T. Genetay | L. Tlustos | M. Campbell | François Bochud | Pierre Carbonez | J. Damet
Source: Radiation Measurements (article, 2025-11-28)
Field: Materials Science — Materials Chemistry

RQR beam qualities measurement with the Timepix4 detector This work presents, to the best of the authors’ knowledge, the first attempt at reconstructing X-ray spectra with a hybrid pixel detector for radiation protection applications in the scattered field around fluoroscopy devices. The performance of the Timepix4 detector was evaluated under reference conditions using RQR beam qualities. A dedicated methodology was developed to correct for detection efficiency, explicitly accounting for contributions from Compton scattering and the photoelectric effect. Accuracy was assessed through Monte Carlo simulations and comparisons with published RQR reference spectra. In addition, particle fluence measurements obtained with Timepix4 were validated against values derived from kerma factors and ionisation chamber measurements performed in a calibration laboratory. The results show excellent agreement between reconstructed and reference spectra up to 70keV, with residuals below 1.7% and relative photon fluence shifts within 5%. At higher energies, discrepancies increase due to the low detection efficiency of the silicon sensor, requiring large correction factors and leading to greater statistical fluctuations. Nevertheless, the system demonstrated acceptable performance up to 120keV, with fluence shifts remaining below 16%. Linearity was confirmed across all beam qualities and intensities investigated, consistent with previous studies on earlier Timepix ASIC generations. Overall, these findings demonstrate that Timepix4 can provide reliable spectral and fluence measurements in reference X-ray beams, offering valuable information for radiation protection studies in scattered fields where conventional detectors are of limited use. Future improvements in readout bandwidth and spectral deconvolution methods are expected to extend its applicability to higher energies and clinical environments. •Spectral measurements were taken in reference conditions with Timepix4.•Results show strong agreement with published reference spectra.•Consistent results in terms of particle fluence were found up to 120 keV.•Timepix4 shows great potential for spectral measurements in interventional radiology. Detector ; Fluence ; Calibration ; Kerma ; Monte Carlo method ; Deconvolution ; Compton scattering ; Beam (structure) ; Radiation ; Photon Radiation Shielding Materials Analysis ; Digital Radiography and Breast Imaging ; Radiation Detection and Scintillator Technologies
Authors: Jilin Liu | Xiang Qian
Source: Applied Sciences (article, 2025-08-28)
Field: Chemistry — Spectroscopy

Three-Dimensional-Printed Lateral Extraction Enhanced Desorption Electrospray Ionization Source for Mass Spectrometry This paper introduces a novel Lateral Extraction Enhanced Desorption Electrospray Ionization (LEE-DESI) source. This source is specifically designed to tackle the crucial issue of electric field interference in dual-channel ambient ionization mass spectrometry (AIMS). By incorporating dual-channel spraying-based desorption and extraction into a 3D-printed chamber with optimized spatial parameters, the system effectively reduces cross-channel interference while boosting ionization efficiency. The desorption spray is responsible for desorbing analytes from untreated samples, and the extraction spray further ionizes more neutral droplets through charge transfer, which substantially enhances sensitivity. Compared with traditional DESI, the LEE-DESI source demonstrates improved detection limits, reproducibility, and operational simplicity, as validated using Rhodamine B, L-arginine, and Angiotensin I, as well as drug standards including methadone, ketamine, and fentanyl. This highlights its potential for high-throughput analysis of complex matrices in proteomics, metabolomics, and biomedical applications. Desorption electrospray ionization ; Mass spectrometry ; Extractive electrospray ionization ; Extraction (chemistry) ; Chromatography ; Electrospray ionization ; Direct electron ionization liquid chromatography–mass spectrometry interface ; Chemistry ; Materials science ; Analytical Chemistry (journal) ; Ion source ; Sample preparation in mass spectrometry ; Ionization ; Thermal ionization mass spectrometry ; Chemical ionization ; Organic chemistry ; Ion Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography ; Ion-surface interactions and analysis
Authors: Dallas R. Trinkle
Source: Proceedings of the National Academy of Sciences (article, 2025-12-03)
Field: Materials Science — Materials Chemistry

Numerical calculation finds the revised elastic field of an edge dislocation to be incorrect Field (mathematics) ; Enhanced Data Rates for GSM Evolution ; Dislocation ; Displacement (psychology) ; Displacement field ; Deformation (meteorology) Microstructure and mechanical properties ; Numerical methods in engineering ; Nonlocal and gradient elasticity in micro/nano structures
Authors: Elisabetta Ruggeri | Giusy Matzeu | Andrea Vergine | Marco Lo Presti | Giulia Guidetti | Fiorenzo G. Omenetto
Source: Advanced Materials Interfaces (article, 2025-11-07)
Field: Chemistry — Organic Chemistry

Biomaterial‐Based Colorimetric Sensors for Continuous Temperature Monitoring Abstract Thermometers are essential sensing devices for applications ranging from health monitoring to emergency management and industrial quality control. Despite their widespread use, the COVID‐19 pandemic highlighted the need for low‐cost, continuous, user‐friendly, and reusable temperature sensors for symptoms detection and infection control. This presents here lightweight (m &lt; 1 g), power‐free, reusable, and paper‐based temperature sensing interfaces that use biomaterial‐based thermochromic inks. These inks, screen‐printed onto various surfaces, undergo a visible color change with temperature shifts and can be paired with machine learning for continuous monitoring at a resolution of ΔT = 0.1 °C. Their affordability and adaptability to large, uneven surfaces make them a cost‐effective alternative to thermal cameras for visualizing temperature distribution on a large scale. Adaptability ; Continuous monitoring ; Temperature measurement ; Ranging ; Thermocouple ; Thermochromism ; Thermal ; Environmental monitoring Polydiacetylene-based materials and applications ; Advanced Chemical Sensor Technologies ; Advanced Sensor and Energy Harvesting Materials
Authors: Jakiya Sultana | Gyula Varga
Source: Journal of Composites Science (article, 2025-05-31)
Field: Materials Science — Polymers and Plastics

Design and Analysis of Natural Fiber-Reinforced Jute Woven Composite RVEs Using Numerical and Statistical Methods Woven composites and natural fiber-reinforced composites both have widespread applications in various industries due to their appealing load-carrying capacity and performance compared to conventionally manufactured composites, such as polymeric composites. Representative volume element (RVE) generation is one of the most effective and widely adopted methods for estimating mechanical performance in current research. This study aims to explore the effects of three significant factors in woven composite RVEs: yarn spacing (from 0.5 mm to 1.5 mm), fabric thickness (from 0.2 to 0.5 mm), and shear angle (from 3.5 to 15 degrees) through finite element methods and statistical analysis to understand their effectiveness in the elastic moduli’s. The validation of this research has been conducted using available literature. The generation of representative volume elements (RVEs) and the calculation of elastic moduli were performed using ANSYS-19, including the material designer feature. The experimental design was carried out using Design-Expert software version 13, which used response surface methodology. The materials selected for this study were jute fiber and epoxy. After obtaining the elastic moduli from the ANSYS material designer, three responses were considered: longitudinal Young’s modulus (E11), in-plane shear modulus (G12), and major Poisson’s ratio (V12). ANOVA (Analysis of Variance) and 3D contour graphs were generated to further analyze and correlate the effects of the selected materials on these responses. These investigations revealed that in comparison to twill structure, plain structure in natural fiber-reinforced woven composites could be a good alternative. Additionally, the findings highlighted that yarn spacing and fabric thickness significantly influence the considered moduli in plain-weave NFRC material RVEs. However, in twill-woven composite RVEs, the effects of yarn spacing, fabric thickness, and shear angle were found to be considerable. Moreover, statistical analysis has found the best combinations for both plain and twill structures, while the yarn spacing was 1 mm, the shear angle was 9.25 degrees, and the fabric thickness was 0.35 mm. Composite material ; Materials science ; Finite element method ; Composite number ; Structural engineering ; Fiber-reinforced composite ; Fiber ; Young's modulus ; Elastic modulus ; Representative elementary volume ; Epoxy ; Engineering Natural Fiber Reinforced Composites ; Mechanical Behavior of Composites ; Composite Structure Analysis and Optimization
Authors: Chengyu Wu | Wei-Chung Wang | Pengfei Yang
Source: Experimental Mechanics (article, 2025-10-27)
Field: Chemistry — Analytical Chemistry

Application of Hyperspectral Imaging Technique and Artificial Intelligence on Quality Prediction of Embryonic Cells Abstract Background Assessing embryo quality is crucial for improving in vitro fertilization (IVF) success rates, yet traditional grading methods rely on subjective evaluations by embryologists, leading to potential bias. Hyperspectral imaging (HSI) offers a non-invasive approach to embryo assessment by capturing detailed spectral information beyond conventional grayscale images. Objective This study aims to investigate the effectiveness of HSI in predicting embryo quality and to compare its classification performance with grayscale images, using maternal human chorionic gonadotropin β (β-HCG) levels as labels. Methods HSI of embryos obtained from National Taiwan University Hospital were analyzed, with β-HCG levels categorized into three groups. Machine learning models were trained and evaluated using confusion matrices, Cohen’s kappa coefficient, and receiver operating characteristic (ROC) curves to assess classification performance. Results The findings indicate that HSI significantly improves classification accuracy compared to grayscale images, particularly in identifying embryos with medium β-HCG concentrations. HSI-based models outperformed random classification, demonstrating enhanced predictive capability in embryo quality assessment. Conclusions This study is the first to use β-HCG levels as classification labels, reducing subjective bias in embryo evaluation. The results highlight the potential of HSI as an objective and reliable tool for embryo quality assessment, paving the way for improved decision-making in assisted reproductive technologies. Grayscale ; Hyperspectral imaging ; Pattern recognition (psychology) ; Random forest ; Receiver operating characteristic ; Image quality ; Embryo quality ; Embryo Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Smart Agriculture and AI
Authors: Somayajulu L. N. Dhulipala | Parikshit Bajpai | Gyanendar Singh | Benjamin W. Spencer
Source: npj Materials Degradation (article, 2025-12-13)
Field: Materials Science — Materials Chemistry

Bayesian calibration of irradiated graphite property models under high temperatures Abstract Graphite under high temperatures and irradiation is central to advanced reactors. We develop a Bayesian calibration framework for graphite property models that explicitly represents model-data mismatch via a Gaussian-process discrepancy. The approach propagates uncertainty from parameters, experimental noise, and model form, with a hierarchical variance structure to capture group and cross-group noise. Using two predictive models across five grades (IG-110, NBG-18, PCEA, NBG-17, 2114) and four properties-irradiation-induced dimension change, creep, Young’s modulus change ratio, and coefficient of thermal expansion change ratio-we obtain average predictive-error reductions of 54%, 65%, 17%, and 17% when discrepancy is included. We illustrate engineering impact with a multiphysics model of a very-high-temperature reactor prismatic reflector brick, analyzing stresses under high fluence and temperature. Accounting for model discrepancy markedly improves predictive accuracy and provides a robust basis for reliable graphite component design in advanced reactors. Calibration ; Multiphysics ; Graphite ; Bayesian probability ; Thermal expansion ; Irradiation ; Fluence ; Dimension (graph theory) Graphite, nuclear technology, radiation studies ; Nuclear reactor physics and engineering ; Radiative Heat Transfer Studies
Authors: Jiale Zhang | Jiaquan Xie | Chunxiao Guo
Source: Mathematical Methods in the Applied Sciences (article, 2025-06-15)
Field: Materials Science — Materials Chemistry

Dynamics Modeling and Solution of Euler–Bernoulli Elastic Beam via Three‐Parallel Fractional‐Order Kelvin–Voigt Constitutive Model ABSTRACT This article aims to construct a three‐parallel fractional‐order Kelvin–Voigt constitutive model to perform fractional‐order dynamic modeling of a class of Euler–Bernoulli elastic beams, and numerically solve it using shifted Chebyshev polynomials. Firstly, based on the traditional one‐dimensional fractional‐order Kelvin–Voigt constitutive model, three elements are connected in parallel, and then, the constructed three‐parallel fractional‐order Kelvin–Voigt stress–strain constitutive model is used to establish the fractional‐order dynamic equation of elastic deformation of Euler–Bernoulli beams. Secondly, based on the definition of the shifted Chebyshev polynomial and the constructed vector basis function, the unknown solution function of the elastic beam dynamic equation is approximated. Then, the fractional differential operator matrices and the integer differential operator matrices of the shifted Chebyshev polynomial function are introduced to transform the original equation into a series of vector products. Finally, the unknown variables are discretized using the collocation method, and the equation system is decoupled to obtain the numerical solution of the fractional‐order dynamic equation of the Euler–Bernoulli elastic beam. In addition, this article also establishes a convergence analysis theory for the proposed algorithm and provides error limits. In the numerical simulation section, the effectiveness of the algorithm was verified by comparing numerical examples with known analytical solutions and numerical solutions obtained by using the algorithm. Subsequently, four different sets of actual operating parameters were validated for the established Euler–Bernoulli beam dynamics model, and the algorithm was validated for practical problems with unknown analytical solutions by comparing the errors of numerical solutions under different expansion terms. Mathematics ; Bernoulli's principle ; Constitutive equation ; Order (exchange) ; Euler's formula ; Mathematical analysis ; Dynamics (music) ; Beam (structure) ; Classical mechanics ; Physics ; Finite element method ; Optics Nonlocal and gradient elasticity in micro/nano structures ; Composite Structure Analysis and Optimization ; Elasticity and Material Modeling
Authors: Rishad Arfin | Jeongwoo Son | Jens Niegemann | Dylan McGuire | Mohamed H. Bakr
Source: Nanomaterials (article, 2025-11-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Adjoint-Driven Inverse Design of a Quad-Spectral Metasurface Router for RGB-NIR Sensing There has been an increasing demand for high-resolution image sensing technologies in recent years due to their diverse and advanced optical applications. With recent advances in nanofabrication technologies, this can be achieved through the realization of high-density pixels. However, the development of high-density and miniaturized pixels introduces challenges to the conventional color filters, which generally transmit and absorb different spectral components of light. A significant portion of the incident light is inherently lost using conventional color filters. Moreover, as the pixel size is shrunk, optical losses appear to be substantial. To address these fundamental limitations, a novel nanophotonic optical router is proposed in this work. Our router utilizes a single-layer, all-dielectric metasurface as a spectral router. The metasurface is designed through an inverse design approach that exploits adjoint sensitivity analysis. A novel figure of merit is developed and incorporated in the inverse design process, enabling the metasurface design to effectively sort and route the incoming light into four targeted channels, each corresponding to a distinct spectral component-red, green, blue, and near-infrared. We demonstrate that the proposed quad-spectral metasurface router, having a compact footprint of 2 μm×2 μm, achieves an average optical efficiency of approximately 39% across the broad spectral range, i.e., 400-850 nm, with each spectral channel exceeding an efficiency of 25%. This surpasses the maximum efficiency attainable by the conventional four-channel color filters. Our proposed quad-spectral metasurface router offers a wide range of applications in low-light imaging, image fusion, computational photography, and computer vision. In addition, this work highlights the applicability of an adjoint-based inverse design approach to accelerate the development of compact, efficient, and high-performance nanophotonic devices for the next generation of imaging and sensing systems. Router ; Nanophotonics ; Inverse ; Pixel ; Channel (broadcasting) ; Realization (probability) ; Figure of merit ; Sorting ; Overhead (engineering) Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Advanced Wireless Communication Technologies
Authors: Dennis Lönard | Johansson, Mark Stefan | Cardoso Barbosa, Isabel | Jonas Gutsche | Artur Widera
Source: ArXiv.org (preprint, 2025-04-29)
Field: Materials Science — Materials Chemistry

Data for Limits of absolute vector magnetometry with NV centers in diamond The nitrogen-vacancy (NV) center in diamond has become a widely used platform for quantum sensing. The four NV axes in mono-crystalline diamond specifically allow for vector magnetometry, with magnetic-field sensitivities reaching down to $\mathrm{fT}/ \sqrt{\mathrm{Hz}}$. The current literature primarily focuses on improving the precision of NV-based magnetometers. Here, we study the experimental accuracy of determining the magnetic field from measured spin-resonance frequencies via solving the NV Hamiltonian. We derive exact, analytical, and fast-to-compute formulas for calculating resonance frequencies from a known magnetic-field vector, and vice versa, formulas for calculating the magnetic-field vector from measured resonance frequencies. Additionally, the accuracy of often-used approximations is assessed. Finally, we promote using the Voigt profile as a fit model to determine the linewidth of measured resonances accurately. An open-source Python package accompanies our analysis. Magnetometer ; Diamond ; Laser linewidth ; Magnetic field ; Python (programming language) ; Resonance (particle physics) Diamond and Carbon-based Materials Research ; Magnetic Field Sensors Techniques ; High-pressure geophysics and materials
Authors: Gongyi Li | Tao Luo | Jianghua Xiong | Yanna Gao | Xi Meng | Yaoguo Zuo | Yi Liu | Jing Ma | Qiuwen Chen | Yuxin Liu | Yichong Xin | Yangjie Ye
Source: Agriculture (article, 2025-01-11)
Field: Materials Science — Materials Chemistry

Analysis of Dynamic Biogas Consumption in Chinese Rural Areas at Village, Township, and County Levels Understanding the characteristics of biogas demand in rural areas is essential for on-demand biogas production and fossil fuel offsetting. However, the spatiotemporal features of rural household energy consumption are unclear. This paper developed a rural biogas demand forecasting model (RBDM) based on the hourly loads of different energy types in rural China. The model requires only a small amount of publicly available input data. The model was verified using household energy survey data collected from five Chinese provinces and one year’s data from a village-scale biogas plant. The results showed that the predicted and measured biogas consumption and dynamic load were consistent. The relative error of village biogas consumption was 11.45%, and the dynamic load showed seasonal fluctuations. Seasonal correction factors were incorporated to improve the model’s accuracy and practicality. The accuracy of the RBDM was 19.27% higher than that of a static energy prediction model. Future research should verify the model using additional cases to guide the design of accurate biogas production and distribution systems. Biogas ; Consumption (sociology) ; Geography ; Agricultural economics ; Rural area ; Socioeconomics ; China ; Environmental protection ; Environmental science ; Waste management ; Economics ; Engineering ; Archaeology ; Political science Metallurgy and Material Science
Authors: Nan Wang | Qianru Lu | Yingying Han | Ying Liu | Shuangyi Zhang
Source: Journal of the Science of Food and Agriculture (article, 2025-08-11)
Field: Chemistry — Organic Chemistry

Improvement of oil absorption and quality of potato chips based on pre‐drying and post‐frying heating treatments Microwave pre-drying exhibited superior oil reduction efficiency, while post-frying hot air treatment contributed to better textural and color properties. These findings provide valuable insights for developing low-fat fried potato products while maintaining desirable texture attributes, offering a practical solution for healthier snack production. © 2025 Society of Chemical Industry. Food science ; Materials science ; Microstructure ; Absorption (acoustics) ; Penetration (warfare) ; Limiting ; Absorption of water ; Pulp and paper industry ; Chemistry ; Composite material ; Mathematics Edible Oils Quality and Analysis ; Potato Plant Research