jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiangrui Xu | Junjie Huang | Gesong Miao | Bo Yan | Yangbo Chen | Yinghui Zhou | Yufeng Zhang | Xueao Zhang | Weiwei Cai
Source: Materials (article, 2025-05-11)
Field: Materials Science — Materials Chemistry

Visualizing Thermal Reduction in Graphene Oxide The reduction of graphene oxide (GO) is critical for tuning its properties. This study integrates optical contrast analysis with Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) to investigate the structural and optical evolution of GO in thermal reduction. For GO on 100 nm SiO<sub>2</sub>/Si, the R channel contrast exhibits superior sensitivity to structural changes, making it a reliable indicator of the reduction process. A theoretical model based on Fresnel equations reveals the role of SiO<sub>2</sub> thickness in modulating optical contrast, providing guidelines for substrate optimization and channel selection. Graphene ; X-ray photoelectron spectroscopy ; Raman spectroscopy ; Materials science ; Oxide ; Reduction (mathematics) ; Contrast (vision) ; Sensitivity (control systems) ; Substrate (aquarium) ; Thermal ; Spectroscopy ; Channel (broadcasting) ; Optoelectronics ; Nanotechnology ; Optics ; Chemical engineering ; Computer science ; Electronic engineering ; Telecommunications ; Physics ; Engineering Graphene research and applications ; Diamond and Carbon-based Materials Research ; Semiconductor materials and devices
Authors: Rui Wu | Nian‐Ke Chen | Mingyu Ma | Bai‐Qian Wang | Yu-Ting Huang | Bin Zhang | Xianbin Li
Source: Nanomaterials (article, 2025-01-31)
Field: Materials Science — Materials Chemistry

Atomic Pathways of Crystal-to-Crystal Transitions and Electronic Origins of Resistive Switching in MnTe for Ultralow-Power Memory In conventional phase change memory (PCM) technology, the melting process required to create an amorphous state typically results in extremely high power consumption. Recently, a new type of PCM device based on a melting-free crystal-to-crystal phase transition in MnTe has been developed, offering a potential solution to the problem. However, the electronic and atomic mechanisms underlying this transition remain unclear. In this work, by first-principles calculations, the resistance contrast is attributed to the differences in hole effective mass and vacancy formation energy of the two phases. Moreover, two phase transition pathways of the α-MnTe-to-β-MnTe transition, namely, the 'slide-and-stand-up' transitions, are identified based on coherent atomic movements. The energy barriers for the two pathways are 0.17 eV per formula unit (f.u.) and 0.38 eV/f.u., respectively. Furthermore, the energy barriers can be reduced to 0.10 eV/f.u. and 0.26 eV/f.u. via c-axis tensile strains, which makes the phase transition easier. The current result provides new insights into the non-melting phase transition process in MnTe, facilitating the development of low-power PCM technology. Phase-change memory ; Crystal (programming language) ; Materials science ; Phase transition ; Amorphous solid ; Phase (matter) ; Vacancy defect ; Condensed matter physics ; Chemical physics ; Optoelectronics ; Nanotechnology ; Crystallography ; Chemistry ; Physics ; Computer science Phase-change materials and chalcogenides ; Advanced Memory and Neural Computing ; Transition Metal Oxide Nanomaterials
Authors: Ivan Labaj | Júliana Vršková | Ivan Kopal | Andrej Dubec | Darina Ondrušová
Source: Polymers (article, 2025-11-20)
Field: Materials Science — Polymers and Plastics

Innovative Carbon Black Replacement in Rubber Compound: Impact of Pyrolytic Carbon Black and Energy-Gypsum By-Products on Vulcanization and Properties This study focuses on the possibility of substituting the conventional carbon black filler N339 in a rubber compound, which also contains an energy-gypsum filler obtained as an industrial by-product, with an alternative carbon filler produced by pyrolysis of rubber waste. The proposed basic rubber compound recipe demonstrated excellent mechanical properties, which were also verified through industrial tests. Practical application in transport systems confirmed the reliability, durability, and robustness of the compound ensuring long-term functionality even in demanding operating conditions. From an ecological point of view, the substitution of conventional fillers with pyrolytic carbon materials is being pursued to reduce the environmental burden of the material. The rheological and vulcanization characteristics of the compounds were subject to minimal changes of up to 8%. The increase in the scorch time value of the compounds can be positively assessed given that the optimal vulcanization time has decreased, which leads to a faster course of the vulcanization process. The most significant effect was a 56% reduction in tensile strength without significant effect on elongation at break. These results document the potential for complete replacement of traditional fillers in rubber systems while maintaining several functional parameters. Carbon black ; Vulcanization ; Natural rubber ; Pyrolytic carbon ; Filler (materials) ; Ultimate tensile strength ; Pyrolysis Polymer Nanocomposites and Properties ; Elasticity and Material Modeling ; Polymer crystallization and properties
Authors: Makdud Islam | A. B. Sinha | K. Prasad
Source: Sustainable Food Technology (article, 2025-11-06)
Field: Materials Science — Biomaterials

PLA/starch bi-layer films reinforced with rice straw cellulose nanofibers and functionalized with organosolv–lignin nanoparticles and grapefruit bioactives for shelf life extension of green grapes PLA/starch bi-layer films reinforced with modified CNFs, lignin nanoparticles, and grapefruit extract showed improved strength, barrier, and UV-blocking properties, effectively extending grape shelf life and promoting sustainable food packaging. Shelf life ; Cellulose ; Nanofiber ; Lignin ; Nanoparticle ; Straw ; Cellulose fiber Nanocomposite Films for Food Packaging ; Lignin and Wood Chemistry ; Advanced Cellulose Research Studies
Authors: Xi Wang | Siyi Wang | Shibing Zhang | Jiping Yin | Qi Zhao
Source: Foods (article, 2025-05-09)
Field: Chemistry — Analytical Chemistry

Quantitative Analysis of 3-Monochloropropane-1,2-diol in Fried Oil Using Convolutional Neural Networks Optimizing with a Stepwise Hybrid Preprocessing Strategy Based on Fourier Transform Infrared Spectroscopy As one kind of 'probable human carcinogen' (Group 2B) compound classified by the International Agency for Research on Cancer, 3-MCPD is mainly formed during the thermal processing of food. Tedious pretreatment techniques are needed for the existing analytical methods to quantify 3-MCPD. Hence, a nondestructive sensing technique that offers low noise interference and high quantitative precision must be developed to address this problem. Following this, Fourier transform infrared spectroscopy association with an convolutional neural network (CNN) model was employed in this investigation for the nondestructive quantitative measurement of 3-MCPD in oil samples. Before building the CNN model, NL-SGS-D<sub>2</sub> was utilized to enhance the feature extraction capability of model by eliminating the background noise. Under the optimal hyperparameter settings, calibration model achieved a determination coefficient (R<sup>2</sup><sub>C</sub>) of 0.9982 and root mean square error (RMSEC) of 0.0181 during validation, along with a 16% performance enhancement enabled by the stepwise hybrid preprocessing strategy. The LODs (0.36 μg/g) and LOQs (1.10 μg/g) of the proposed method met the requirements for 3-MCPD detection in oil samples by the Commission Regulation issued of EU. The method proposed by CNN model with hybrid preprocessing was superior to the traditional model, and contributed to the quality monitoring of edible oil processing industry. Convolutional neural network ; Computer science ; Preprocessor ; Artificial intelligence ; Artificial neural network ; Noise (video) ; Pattern recognition (psychology) Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced Chemical Sensor Technologies
Authors: Melissa Moos | Jalena Best | Stefan Flauder | Steve Nutt | Nico Langhof | Stefan Schafföner
Source: Journal of Polymer Science (article, 2025-05-03)
Field: Materials Science — Ceramics and Composites

Carbon Fiber‐Reinforced Silicon Carbide (C/C‐ <scp>SiC</scp> ) Fabrication Derived From Polyetherketoneketone ( <scp>PEKK</scp> ) as an Alternative Thermoplastic Carbon Precursor ABSTRACT This study shows the first successful fabrication of a carbon fiber‐reinforced silicon carbide (C/C‐SiC) via the liquid silicon infiltration process using two thermoplastic polyetherketoneketone (PEKK) powders as carbon precursors. Samples are analyzed after each processing step and compared to polyetheretherketone (PEEK)‐derived reference samples. The carbon yield was above 65% for PEKK and 54% for PEEK, possibly due to the greater crosslinking potential of PEKK. Rheological measurements showed a higher melt viscosity of PEKK 60/40 (which consists of 60% terephtalic and 40% isophtalic moieties) than PEEK. The higher viscosity of PEKK 60/40 affected the carbon fiber‐reinforced plastic (CFRP) microstructure because it resulted in more matrix pores and some partly saturated fiber tows in the PEKK 60/40‐derived CFRP. The incomplete infiltration of fiber tows by PEKK in the CFRP state led to the undesirable reaction of the single carbon fibers during final siliconization. However, the effect was of minor influence, and the microstructure and phase composition remained unaffected. Mechanical testing of PEEK‐ and PEKK‐derived C/C‐SiC showed excellently comparable properties with a mean flexural strength above 200 MPa and a strain to failure above 0.55%. Thus, PEKK‐derived C/C‐SiC is a suitable alternative thermoplastic polymer for C/C‐SiC fabrication. Silicon carbide ; Fabrication ; Materials science ; Thermoplastic ; Composite material ; Carbide ; Carbon fibers ; Silicon ; Fiber ; Chemical engineering ; Polymer chemistry ; Composite number ; Optoelectronics ; Engineering Advanced ceramic materials synthesis ; Tribology and Wear Analysis ; Fiber-reinforced polymer composites
Authors: Jiayi Zhou | Rongxun Hu | Yu Sun | Lei Ming | Yulai Gao
Source: Coatings (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Effect of the Electrogalvanized and Galvannealed Zn Coatings on the Liquid Metal Embrittlement Susceptibility of High Si and Mn Advanced High-Strength Steel The advanced high-strength steels (AHSSs) with high Si and Mn contents are extensively applied in the automobile manufacturing industry. To improve the corrosion resistance, Zn coatings are generally applied to the steel substrate. However, heat input and tensile stress occur during the resistance spot welding (RSW) process; thus, Zn-induced liquid metal embrittlement (LME) can be produced due to the existence of liquid Zn. Unfortunately, the LME occurrence can trigger the premature failure of welded joints, seriously affecting the service life of vehicle components. In this study, the LME behaviors in high Si and Mn RSW joints with electrogalvanized (EG) and galvannealed (GA) Zn coatings were comparatively investigated. Based on the Auto/Steel Partnership (A/SP) criterion, 16 groups of different welding currents were designed. In particular, four typical groups of RSW joints were selected to reveal the characteristics of the LME behaviors. Moreover, these four typical groups of EG and GA high Si and Mn RSW joints were, respectively, etched to measure their nugget sizes. The results indicated that with the increase in the welding current, more severe LME cracks tended form. As determined during the comprehensive evaluation of the 16 groups of EG and GA welded joints, higher LME susceptibility occurred in the EG high Si and Mn steels. It was concluded that the formation of Fe-Zn intermetallic compounds (IMCs) and internal oxide layers during the annealing process could account for the lower LME susceptibility in the GA welded joints. Galvannealed ; Liquid metal embrittlement ; Materials science ; Metallurgy ; Embrittlement ; Galvanization ; High strength steel ; Metal ; Composite material ; Microstructure ; Grain boundary Corrosion Behavior and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals ; Microstructure and Mechanical Properties of Steels
Authors: Baptiste Labonne | Christine Guéneau | Marjorie Bertolus
Source: Physical Chemistry Chemical Physics (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Systematic study of the structural, energetic and elastic properties of U<sub>1−<i>y</i></sub>Am<sub><i>y</i></sub>O<sub>2−<i>x</i></sub> compounds using empirical interatomic potentials Uranium-americium mixed oxides are envisaged as fuels or blankets for the transmutation of americium in fast neutron reactors, which requires an accurate knowledge of their properties. Here, the Cooper-Rushton-Grimes (CRG) potential terms related to Am<sup>4+</sup> are reoptimized to lower the very high melting temperature of AmO<sub>2</sub> predicted by the potential (≈3350 K) while keeping other properties unchanged. The resulting terms are used alongside U<sup>4+</sup> parameters as well as previously optimized terms for the Am<sup>3+</sup> and U<sup>5+</sup> oxidation states in combination with molecular dynamics to perform a systematic study of the structural, thermodynamic and elastic properties of hypostoichiometric uranium-americium mixed oxides U<sub>1-<i>y</i></sub>Am<sub><i>y</i></sub>O<sub>2-<i>x</i></sub> with 0 ≤ <i>y</i> ≤ 1 and 0 ≤ <i>x</i> ≤ 0.1 over a wide temperature range (250-4500 K). The properties calculated include the lattice parameter and related properties (density, thermal expansion coefficient), the enthalpy increment and related properties (specific heat capacity, enthalpy of fusion), the melting temperature and the elastic constants. Our study shows a peculiar evolution of properties with the americium content with a change in the evolution for 50% americium due to the various oxidation states of the cations present in these compounds. Results presented in this paper provide significant insight into the properties of uranium-americium mixed oxides for all compositions, in particular for high americium contents, non-stoichiometric oxides and at high temperature and complement the few experimental data available for these materials. Interatomic potential ; Materials science ; Physics ; Statistical physics ; Molecular dynamics ; Computational chemistry ; Chemistry Nuclear Materials and Properties ; Radioactive element chemistry and processing ; Thermodynamic and Structural Properties of Metals and Alloys
Authors: 赵成伟 Zhao Chengwei | 刘琨 Liu Kun | 井建迎 Jing Jianying | 王子一慧 Wang Ziyihui | 江俊峰 Jiang Junfeng | 李鑫鹏 Li Xinpeng | 孙振东 Sun Zhendong | 刘铁根 Liu Tiegen
Source: Laser & Optoelectronics Progress (article, 2025-01-01)
Field: Chemistry — Spectroscopy

基于小波优化神经网络的光谱气体浓度检测（特邀） 针对环境污染与气候变化带来的大气CO?浓度精确检测需求，发展高灵敏度气体检测技术具有重要意义。本文设计了一种基于可调谐半导体激光吸收光谱（TDLAS）的CO?检测系统，并引入最大重叠离散小波变换（MODWT）与模糊神经网络（FNN）算法联合优化信号处理及浓度反演精度。系统以中心波长为2004 nm的分布式反馈激光器（DFB）为光源，利用锁相放大器提取二次谐波信号，在MODWT降噪的基础上构建FNN模型实现浓度拟合。实验结果表明，经MODWT-FNN处理后的信号，其拟合模型决定系数由0.9632提升至0.9856，均方根误差为11.9917，显著优于三次多项式回归和支持向量回归方法。该方法有效提升了TDLAS系统的稳定性与检测精度，为痕量气体检测提供了理论与实验支持。 Telmatology ; Natural (archaeology) ; Metamorphic petrology Spectroscopy and Laser Applications ; Atmospheric and Environmental Gas Dynamics ; Optical Systems and Laser Technology
Authors: Yi Chen | Li Zhu | Xiao‐Jie Yan | Zhanmang Liao | Wen Teng | Yule Wang | Zhipeng Xing | Yun Chen | Lijun Liu
Source: Agronomy (review, 2025-08-12)
Field: Materials Science — Materials Chemistry

Significant Roles of Nanomaterials for Enhancing Disease Resistance in Rice: A Review Rice (Oryza sativa L.) is a staple crop for over half of the global population; however, pathogenic infections pose significant threats to its sustainable production. Although chemical pesticides are commonly employed for disease control, their prolonged usage has led to pathogen resistance, reduced effectiveness, and non-target toxicity, rendering them unsustainable for agricultural practices. Nanomaterials (NMs) present a promising alternative due to their small size, tunable release properties, and diverse mechanisms for disease resistance. This review examines how NMs can enhance rice disease management through (1) direct pathogen suppression; (2) the activation of plant defense pathways; (3) the formation of nanoscale barriers on leaves to obstruct pathogens; (4) targeted delivery and controlled release of fungicides; and (5) modulation of the microbiome to bolster resilience. Moreover, we critically analyze the agricultural potential and environmental implications of NMs, develop optimized application strategies, and, for the first time, propose the innovative ‘NMs-Rice-Soil’ Ternary System framework. This groundbreaking approach integrates nanotechnology, plant physiology, and soil ecology. The pioneering framework offers transformative solutions for sustainable crop protection, illustrating how strategically engineered NMs can synergistically enhance rice productivity, grain quality, and global food security through science-based risk management and interdisciplinary innovation. Nanomaterials ; Resistance (ecology) ; Disease ; Nanotechnology ; Biology ; Medicine ; Agronomy ; Materials science ; Pathology Nanoparticles: synthesis and applications ; Polymer-Based Agricultural Enhancements ; Silicon Effects in Agriculture
Authors: Evelin Fisslthaler | Martina Dienstleder | Judith Lammer | Moritz Theissing | Daniel Knez
Source: Advanced Engineering Materials (article, 2025-08-24)
Field: Materials Science — Surfaces, Coatings and Films

Direct Electron Detection Electron Energy‐Loss Spectroscopy: Speeding Up 2D Analytical In Situ Transmission Electron Microscopy for Aluminum Alloys In situ scanning transmission electron microscopy (STEM) has evolved into an invaluable tool for investigating material systems whose elemental properties are influenced by dynamic processes on the micro‐ and nanoscale. By using modern holder systems to provide the required stimuli in combination with powerful aberration‐corrected microscopes, researchers can gain direct insight into intricate processes underlying temperature‐driven precipitation in aluminum alloys. However, while imaging methods are usually fast enough to keep up with the pace of such processes in dynamic experiments, spectroscopic STEM analysis techniques like energy‐dispersive X‐ray spectroscopy or electron energy‐loss spectroscopy (EELS) struggle to keep track. This study demonstrates the application of direct electron detection EELS in conjunction with high‐resolution STEM as a method capable of capturing chemical changes in a complex aluminum alloy during an in situ heating experiment. Materials science ; Electron energy loss spectroscopy ; Electron ; Transmission electron microscopy ; Energy filtered transmission electron microscopy ; Energy-dispersive X-ray spectroscopy ; Electron microscope ; In situ ; Scanning transmission electron microscopy ; Spectroscopy ; Aluminium ; Atomic physics ; Analytical Chemistry (journal) ; Scanning electron microscope ; Optics ; Nanotechnology ; Metallurgy ; Physics ; Chemistry ; Composite material ; Nuclear physics Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Anodic Oxide Films and Nanostructures
Authors: Ruan L. S. Lima | Eric Santos da Silva | Paulo T. Araújo | N. Neto
Source: Chirality (article, 2025-07-01)
Field: Chemistry — Spectroscopy

Stokes Spectropolarimetry Applied to Measure Circular Birefringence Dispersion of Aqueous Solutions of Sugars Circular birefringence (CB) is defined as the difference in refractive index for opposite circular polarization states and has played a crucial role in the development of stereochemistry and the concept of chirality. It manifests experimentally as optical rotatory dispersion (ORD), that is, the wavelength-dependent optical rotation of the plane of light polarization. However, most methods for probing ORD rely on analyzing transmitted light asymmetry at single wavelengths (usually the sodium D-line at 589 nm) with linear polarizers, which cannot discern between unpolarized and circularly polarized light, limiting the apparatus to analyze a single phenomenon. Here we showcase the use of Stokes spectropolarimetry (SSP), a versatile and cost-effective technique, to probe ORD of circularly birefringent materials. This technique allows complete analysis of the dispersive changes in polarization caused by anisotropic media, portraying a versatile experimental framework to study different types of optical anisotropies with a single spectropolarimeter. Here, aqueous solutions of chiral sucrose, fructose, and their mixtures are investigated. The ORD acquired verify that the optical rotation is proportional to the concentration of the chiral species and follows an inverse proportion with wavelength. As a case study, we show via SSP that ORD at 589 nm (D-line of sodium) is in good agreement with literature (+63.5° ± 1.4° mL g<sup>-1</sup> dm<sup>-1</sup> for sucrose and -83.7° ± 2.0° mL g<sup>-1</sup> dm<sup>-1</sup> for fructose). Optical rotatory dispersion ; Birefringence ; Optical rotation ; Chemistry ; Circular polarization ; Polarizer ; Polarization (electrochemistry) ; Wavelength ; Chirality (physics) ; Anisotropy ; Mueller calculus ; Optics ; Dispersion (optics) ; Polarimetry ; Molecular physics ; Circular dichroism ; Crystallography ; Physics ; Scattering ; Physical chemistry ; Organic chemistry Molecular spectroscopy and chirality ; Spectroscopy and Quantum Chemical Studies ; Photoreceptor and optogenetics research
Authors: Rong Nie | Xingyi Huang | Xiaoyu Tian | Shanshan Yu | Chunxia Dai | Xiaorui Zhang | Fang Qin
Source: Foods (article, 2025-07-12)
Field: Chemistry — Analytical Chemistry

Non-Destructive Detection of Pomegranate Blackheart Disease via Near-Infrared Spectroscopy and Soft X-ray Imaging Systems Pomegranate blackheart disease, as an internal disease affecting the global pomegranate industry, is difficult to identify externally and urgently requires non-destructive detection methods for rapid diagnosis. This study established discriminative models for blackheart disease severity in pomegranates by using near-infrared (NIR) spectroscopy and soft X-ray imaging techniques. The results showed that the optimal NIR-based discriminative model, constructed with a Random Forest (RF) algorithm based on spectra preprocessed by the second-derivative (D2) denoising and a Competitive Adaptive Reweighted Sampling (CARS) algorithm, achieved a prediction set accuracy of 86.00%; the optimal soft X-ray imaging-based discriminative model, built with an RF algorithm using textural features extracted from images preprocessed by median filtering and a Contrast-Limited Adaptive Histogram Equalization (CLAHE) algorithm combined with gray-level co-occurrence matrix (GLCM) and gray-gradient co-occurrence matrix (GGCM) algorithms, reached a prediction set accuracy of 93.10%. In terms of model performance, the model based on soft X-ray imaging exhibited superior performance. Both techniques possess distinct advantages and limitations yet enable non-destructive detection of pomegranate blackheart disease. Further technical optimizations in the future could provide enhanced support for the healthy development of the pomegranate industry. Discriminative model ; Artificial intelligence ; Adaptive histogram equalization ; Random forest ; Pattern recognition (psychology) ; Computer science ; Histogram ; Histogram equalization ; Mathematics ; Image (mathematics) Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Essential Oils and Antimicrobial Activity