jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: L. Caputo | Daniel Dorow-Gerspach | Marius Wirtz | Geert Verdoolaege
Source: Ghent University Academic Bibliography (Ghent University) (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Predictive Maintenance in Fusion Devices: Estimating the Remaining Useful Life of Plasma-Facing Component Units Using a Similarity-Based Approach With a view to reliability, availability, maintainability, and inspectability (RAMI) for DEMO, achieving an availability of 30-60% while minimizing unscheduled shutdowns is a critical prerequisite [1]. Plasma-facing components (PFCs), such as the divertor and first wall, are exposed to extreme thermal loads, shocks, and particle bombardment, conditions that can lead to component failure. In future fusion reactors, such failures may severely compromise plant availability, triggering costly remote maintenance interventions that typically last several weeks, resulting in substantial operational disruption directly impacting the final price of electricity. Predictive maintenance addresses these challenges by enabling proactive scheduling based on estimates of the remaining useful life (RUL) of components, derived from historical sensor data. However, monitoring PFCs in real time is constrained by limited diagnostic access, and full-scale modelling of reactor conditions is computationally prohibitive. In this study, we propose a similarity-based method for RUL estimation of beryllium tiles under steady-state heat loading from an electron beam [2]. Texture features including gray level co-occurrence matrix, local binary pattern, and fast Fourier transform are extracted from infrared images to capture the evolution of local pixel intensity patterns in the hottest surface regions and are fused into a health indicator. The RUL is then inferred by comparing the current health trajectory to those of previously observed tiles and interpolating from the most similar cases. This data-driven approach does not rely on a physical degradation model, making it particularly suited for conditions where failure mechanisms are complex or poorly understood. Although demonstrated under controlled conditions, the method is potentially extensible to more complex damage in real machine operations. References [1] Maisonnier, D. (2018). RAMI: The Main Challenge of Fusion Nuclear Technologies. Fusion Engineering and Design, 136, 1202–1208. https://doi.org/10.1016/j.fusengdes.2018.04.102 [2] Hirai, T., Ezato, K., & Majerus, P. (2005). ITER Relevant High Heat Flux Testing on Plasma Facing Surfaces. Materials Transactions, 46(3), 412–424. https://doi.org/10.2320/matertrans. 46.412 Predictive maintenance ; Robustness (evolution) ; Component (thermodynamics) ; Particle filter ; Scheduling (production processes) ; Unavailability ; Mahalanobis distance ; Maintenance engineering Fusion materials and technologies ; Magnetic confinement fusion research ; Nuclear reactor physics and engineering
Authors: Yuxi Guo
Source:  (article, 2025-11-06)
Field: Materials Science — Polymers and Plastics

Interfacial Engineering of Thermoplastic Polymer Composites for Structural Building Applications: a Reactive Extrusion Approach to Enhance Adhesion in PP-Glass Fibre Systems Engineering of thermoplastic composite (interracially) has become one of the methods with the potential to enhance the mechanical stability of polypropylene (PP)-glass fibre structures. The objective of this study is to quantitatively analyse the process of how reactive extrusion parameters can affect interfacial adhesion and mechanical performance, and to generalise predictive data-driven processes generalisation of the process. The quantitative simulation-based methodology was adopted in Python (Google Colab) to produce 1200 synthetic data samples with process variables of screw speed, barrel temperature, fibre volume, coupling concentration and cooling rate. The regression and the classification were based on Ridge Regression, Random Forest Regressor, and the logistic regression to assess tensile strength, flexural modulus and adhesion category. Compared to the Ridge Regression (tensile RMSE <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$=4.06$</tex> MPa and flexural RMSE <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$=0.286 \text{GPa}$</tex>), the Random Forest model produced better performance (tensile RMSE <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$=0.99 \text{MPa}$</tex>; flexural RMSE <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$=0.062 \text{GPa}$</tex>), whereas the Logistic Regression model produced an intermediate accuracy (adhesion prediction 56.3). Figure 1–9 shows the results. The results validate that interfacial strength depends mostly on the barrel temperature and concentration of the coupling agent. Finally, nonlinear ensemble models prove to be better in projecting the process-property relationships in reactive-extruded composites. The paper suggests further use of advanced classifiers or hybrid simulation-experimental models for further work in order to increase the level of accuracy in the prediction of adhesion. The findings have applied implications in the sense that they facilitated virtual optimisation in composite production, minimised waste of materials and improved efficiency in design. The major drawback of this approach is that synthetic data is used, which will require experimental corroboration in practice. Flexural strength ; Ultimate tensile strength ; Mean squared error ; Composite number ; Flexural modulus ; Extrusion ; Random forest ; Coupling (piping) ; Python (programming language) Polymer crystallization and properties ; Composite Material Mechanics ; Fiber-reinforced polymer composites
Authors: Grahame J. Kidd | Emily Benson | Steven L. Goodman
Source: Microscopy and Microanalysis (article, 2025-07-01)
Field: Materials Science — Surfaces, Coatings and Films

Faster Automated Pipelines to Utilize Volume Electron Microscopy in Biomedical Testing Volume Electron Microscopy (vEM) encompasses several EM technologies, including serial block-face scanning EM (SBEM), FIBSEM, and array tomography.Information-rich image sets generated by vEM systems provide a wealth of data from which to compare therapeutic treatments and investigate mechanisms of disease.Timelines for collecting and manually analyzing 3D EM datasets can extend from weeks to years, however, and may reduce the utility of vEM approaches preclinical testing environments.vEM is heavily dependent on automation to reduce time and labor.Automated systems can also be optimized for specific use case pipelines to reduce vEM-based testing to practical durations.In our lab, sample preparation utilizing a robotic stainer (mPrep ASP-1000) provides repeatability, speed, minimize reagent consumption, cut hands-on effort.It reduces a 4-5-day process of tedious error-prone reagent exchanges (fixatives, labels, stains, solvents, resins) to two days or less.For peripheral nerve combination of 2-3 samples in a single capsule expedites cutting and imaging, while macro programming of the stainer permits extended infiltration of myelin-rich material.Automated staining also provides consist contrast necessary for artificial intelligence image segmentation (AI) and automated quantification, which is essential for reproducibility.Imaging sequences for each use case are developed and standardized to provide a mix of low magnification images and high resolution sampling, both for large 2D fields (e.g.array tomography sections) and 3DEM sets (e.g.corpus callosum, Fig 2).We use both Thermofisher and Zeiss/Gatan serial blockface EM systems and both provide flexibility in imaging approaches.Several tweaks can reduce instrument under-utilization for particular experiments.It has been noted that one day of vEM imaging can produce a week of image analysis for one individual manually tracing structures.For many use cases, however, standardization and some scripting of open source applications can greatly reduce time taken.Parallelized batch post-processing using open source software (e.g.linux bash, Image J/FIJI) expedites throughput even without recourse to high performance computing facilities.Deep learning (AI) analysis likewise can be automated (e.g. using python/tensorflow, or commercial applications).Manual analysis is often also necessary for editing and correction, but labor reduction through scripting, we have reduced the analysis process 4-5 fold for test analyses (e.g.corpus callosum). Volume (thermodynamics) ; Electron microscope ; Materials science ; Pipeline transport ; Nanotechnology ; Computer science ; Engineering ; Mechanical engineering ; Optics ; Physics ; Thermodynamics Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Microfluidic and Capillary Electrophoresis Applications
Authors: Bo Yu | Yuting Gao | Bohan Chen | Liangping Xiao | Rusen Zhou
Source: Clean Energy Science and Technology (article, 2025-06-20)
Field: Materials Science — Materials Chemistry

Advances and challenges in discharge plasma-assisted catalyst synthesis and surface engineering The application of discharge plasma in catalyst preparation and modification is reviewed in this paper. Catalysts play a crucial role in various fields, and discharge plasma, with its unique physicochemical properties and environmental friendliness, shows great potential in the preparation and surface engineering of catalysts. Plasma can effectively activate reactant molecules under mild conditions, thereby enhancing the reaction rate, and regulate the microstructure and active site distribution of the catalysts, thereby improving the performance of specific catalytic reactions. In this paper, different plasma sources and discharge fundamentals are reviewed, mainly emphasising on the application of plasma in catalysts preparation and surface modification. The advantages and applications of plasma-assisted catalyst synthesis, plasma chemical vapor deposition and plasma atomic layer deposition are discussed. The modification effects of plasma on the physical and chemical properties of catalysts are analyzed, and the effects of these modifications on different reaction types and their mechanisms are outlined. Finally, future research directions and challenges are discussed to offer reference for the development of discharge plasma technology in material and catalysis sciences. Catalysis ; Plasma ; Surface modification ; Nanotechnology ; Plasma processing ; Chemical engineering ; Chemical vapor deposition ; Deposition (geology) ; Plasma activation ; Surface engineering ; Atomic layer deposition ; Materials science ; Chemistry ; Layer (electronics) ; Organic chemistry ; Engineering Catalytic Processes in Materials Science ; Electronic and Structural Properties of Oxides ; Advanced Photocatalysis Techniques
Authors: Chung Pham Do | Oanh Le Thi | Bich Do Danh | Hang Lam Thi
Source:  (article, 2025-11-05)
Field: Chemistry — Inorganic Chemistry

Shallow Trap Engineering in Y-Doped g-C <sub>3</sub> N <sub>4</sub> : Data-Guided Selection and Experimental Validation Graphitic carbon nitride (g-C<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>N<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</inf>) is a promising visible-light photocatalyst but suffers from fast electron–hole recombination. Here, we present a data-driven approach to rationally select dopants by screening C–N–X (X = transition, noble, rare-earth metals) compounds from the Materials Project database. Yttrium (Y) was identified as the most promising candidate based on thermodynamic stability and electronic properties. Guided by this prediction, Y-doped g-C<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>N<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</inf> (1–10 mol%) was synthesized and characterized. X-ray diffraction confirmed that Y<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3+</sup> was uniformly incorporated without altering the g-C<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>N<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</inf> framework. UV–Vis spectroscopy showed a slight band gap narrowing, while photoluminescence quenching indicated suppressed charge recombination. The sample with 8% Y exhibited the highest photocatalytic activity for RhB degradation, with a rate constant 3.1 times that of pristine gC<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>N<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</inf>. Higher Y content reduced activity, suggesting deep recombination centers at excessive doping. This work integrates computational screening with experimental validation, providing a general strategy for rational dopant selection in photocatalysis Selection (genetic algorithm) ; Trap (plumbing) ; Reliability (semiconductor) ; Work (physics) ; Noise (video) Inorganic Chemistry and Materials ; Diamond and Carbon-based Materials Research ; Machine Learning in Materials Science
Authors: Rabia Ashiq | M.P.S. Chawla | Falmata Mukhtar | Osama Khalil | Shaheen Irfan | A. Sattar | Roseamnah Abdul Rauf
Source: Haya The Saudi Journal of Life Sciences (article, 2025-11-04)
Field: Materials Science — Materials Chemistry

The Role of Nanoparticles in Sustainable Development, A Multidisciplinary Review Nanotechnology has become the revolutionary movement in terms of promoting the global agenda of sustainable development to make innovations on the frontiers of materials science, environmental engineering, biotechnology and renewable energy. The tunable physicochemical properties, the high surface reactivity, and multifunctionality of nanoparticles are central to the development of sustainable solutions to the complex problems of resource scarcity, energy requirement, environmental degradation and human health. This review is a comprehensive study of multidisciplinary uses of nanoparticles in ensuring sustainability in various fields such as clean energy production, pollution mitigation, precision agriculture, green manufacturing, and biomedical uses. It is devoted to the latest successes of environmentally friendly production routes, in particular, bioinspired and waste-based nanoparticles, in accordance with the principles of green chemistry and the idea of a circular economy. The review also addresses the role of the nanoparticle-enabled technologies towards the United Nations of the Sustainable Development Goals (SDGs) by increasing energy efficiency, environmental stability, and sustainable production. Using materials innovation and sustainability science, this paper provides valuable critical reflections on how nanotechnology can make the transition to a more fair, low-carbon, resource-saving future. The discussion has pointed out the necessity of having a cross-disciplinary approach and regulatory vision to ensure a safe and ethical use of nanomaterials in sustainable systems. Sustainability ; Multidisciplinary approach ; Sustainable development ; Environmental degradation ; Environmental pollution ; Renewable energy ; Environmentally friendly ; Resource (disambiguation) Nanoparticles: synthesis and applications ; Chemistry and Chemical Engineering ; Water and Wastewater Treatment
Authors: REDDY M. V. RAMANA | D Balasubramaniana | Mohanraj Kumar | N. Jhansi | I.M. Ashraf | Mohd. Shkir
Source: Arabian Journal of Chemistry (article, 2025-11-29)
Field: Materials Science — Polymers and Plastics

Impact of annealing temperature on the photocatalytic performance of α-Zn <sub>2</sub> V <sub>2</sub> O <sub>7</sub> nanoparticles: A potent catalyst for the degradation of methylene blue dye and its antibacterial properties Zinc vanadate (α-Zn 2 V 2 O 7 ) nanoparticles were prepared using a hydrothermal-assisted co-precipitation method and annealed at three different temperatures, viz, 400°C, 500°C, and 600°C. The influence of annealing temperatures on their photocatalytic activities has been studied, and the superior photocatalytic action was identified for 600°C annealed samples. The annealed nanoparticles at different temperatures are subjected to X-ray diffraction (XRD) analysis, which confirms the monoclinic structure of the synthesized α-Zn 2 V 2 O 7 nanoparticles. The average crystallite size calculated using Scherrer's formula is found to increase with the increase in annealing temperature. The morphological properties of the nanoparticles were analyzed using scanning electron microscopy (SEM). Energy dispersive spectroscopy (EDS) was used to confirm the presence of Zn, V, and O in the prepared nanoparticle. The XPS survey of the prepared sample revealed the presence of Zn, O, and V without any impurities except a small amount of absorbed carbon, and the spectra also confirmed that the sample had a pure phase of Zn 2 V 2 O 7 . A UV-visible spectrophotometer investigation confirmed reduction of band gap values with the annealing temperature. The broad peak of photoluminescence (PL) emission spectra in the green wavelength region implied the creation of deep energy levels inside the band gap of the nanoparticles. The photocatalytic activity of the synthesized sample in the degradation of methylene blue (MB) dye under sunlight was studied using a UV-visible spectrometer. The degradation efficiency increased with the annealing temperature and the efficiency attained the maximum for the sample annealed at 600°C. The values escalated from 94.3 for 400°C α-Zn 2 V 2 O 7 to 95.1 for 400°C α-Zn 2 V 2 O 7 . The antibacterial activity of the synthesized chemical compounds with varying concentrations ranging from 250–1000 μg (25–1 mg) against Escherichia coli resulted in the formation of inhibition zones. The zones of bacterial inhibition in α-Zn 2 V 2 O 7 exhibited an increase from 100 μL - 22 mm at 400°C α-Zn 2 V 2 O 7 to at 100 μL - 33 mm 6 wt% 600°C α-Zn 2 V 2 O 7 . The nanoparticles with 600°C annealing α-Zn 2 V 2 O 7 nanoparticle exhibited enhanced antibacterial activity, which can be ascribed to their considerably more significant surface area, improving their effectiveness. Annealing (glass) ; Photocatalysis ; Crystallite ; Monoclinic crystal system ; Band gap ; X-ray photoelectron spectroscopy ; Analytical Chemistry (journal) ; Photoluminescence Transition Metal Oxide Nanomaterials ; Advanced Photocatalysis Techniques ; Catalysis and Oxidation Reactions
Authors: Wei Wang | Kai Wu | Tianjun Xing | Chengqi Zhang
Source: Arabian Journal of Chemistry (article, 2025-08-11)
Field: Materials Science — Materials Chemistry

Au NPs immobilized over polydopamine-modified ZnO NPs: Catalysis over Sonogashira coupling and cytotoxic analysis against bladder cancer In this study, a novel, simple, and ecologically safe way to design an Au/ZnO composite was achieved using a polydopamine (PDA) biopolymer as a reductant and encapsulating media. The anchored gold ions were reduced over the PDA-modified ZnO effectively without any harsh reagents. The abundant amino- and hydroxyl-groups over PDA functioned as green reducing agents to cap and reduce Au ions on the ZnO surface. The planned nanocomposites’ effective synthesis was confirmed by field emission-scanning electron microscopy (FE-SEM), energy-dispersive X-ray (EDX), elemental mapping, transmission electron microscopy (TEM), inductively coupled plasma (ICP), and X-ray diffraction (XRD) analysis. Additionally, the ZnO@PDA/Au nanoparticles (NPs) demonstrated potent catalytic activity via Sonogashira coupling in the C-C bond formation mechanism. It is possible to recycle ZnO@PDA/Au after eight consecutive reaction cycles. The synthesis of many stilbene derivatives was accomplished by efficiently coupling phenyl acetylene with aryl halides. The bio-application of the ZnO@PDA/Au nanocomposite for anti-bladder cancer (BC) research against the related cell lines 5637 and TCCSUP was also investigated in vitro using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. In a dose-dependent fashion, the material decreased the cell survival of the malignant breast cell line. The cell lines’ respective IC50 values for the nanocomposite were found to be 208 and 195 μg/mL. ZnO@PDA/Au NPs were used in a 2,2-Diphenyl-1-picrylhydrazyl (DPPH) experiment to assess the antioxidant activity, and the findings revealed an IC50 value of 198 µg/mL. Soon, cancer treatment may appear quite promising given the impressive results demonstrated by the produced nanocomposite. Sonogashira coupling ; Chemistry ; Nanocomposite ; Nuclear chemistry ; Catalysis ; Transmission electron microscopy ; HeLa ; Scanning electron microscope ; Nanoparticle ; Bromide ; Nanotechnology ; Inorganic chemistry ; Organic chemistry ; Palladium ; Materials science Quantum Dots Synthesis And Properties ; Advanced Photocatalysis Techniques ; Carbon and Quantum Dots Applications
Authors: Jiacheng Lu | Ziao Zhang | Haowen Qian | Chun Sheng | Shuping Wu
Source: Journal of Smart Energy Systems and Sustainable Technologies (article, 2025-12-30)
Field: Chemistry — Inorganic Chemistry

Photocatalytic MOF Membranes for Advanced Seawater Purification: From Material Design to Sustainable Water Treatment Seawater pollution remains a pressing global challenge, intensified by industrial discharges, agricultural runoff, and maritime activities. Conventional water treatment methods are often limited by high energy costs, insufficient selectivity, and the risk of secondary pollution. Metal-organic frameworks (MOFs), recognized for their tunable porosity and high surface areas, are emerging as promising materials for advanced water purification. The integration of photocatalytic properties into MOF membranes offers a significant advantage: the addition of self-cleaning functionality to the inherent separation process, paving the way for more energy-efficient purification. This review explores recent progress in photocatalytic MOF membranes for treating seawater, addressing the critical issues of water scarcity and marine pollution. It examines how these materials can be enhanced through strategies like ligand functionalization, heterostructure engineering, and metal ion doping to boost their performance against organic pollutants, heavy metals, and pathogens. The synthesis of MOFs is discussed, alongside the critical need to optimize their stability, light absorption, and charge separation efficiency. Key challenges such as membrane fouling, salt scaling, and long-term durability are analyzed, along with potential solutions through material design and process engineering. Recent advances confirm the potential of these membranes for revolutionary improvements in water technology, especially when combined with renewable energy sources, highlighting their role in promoting sustainable water management and providing innovative directions for the field. Photocatalysis ; Water treatment ; Membrane ; Metal-organic framework ; Portable water purification ; Renewable energy ; Membrane technology ; Water scarcity ; Desalination Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation Technologies ; Advanced Photocatalysis Techniques