jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Georgios Karadimas | Αναστασία Ιωάννου | Athanasios Kolios | Konstantinos Salonitis
Source: The International Journal of Advanced Manufacturing Technology (article, 2024-11-05)
Field: Materials Science — General Materials Science

Techno-Economic analysis of ceramic matrix composites integration in remaining useful Life Aircraft Engine Hot Section Components Abstract Ceramic Matrix Composites (CMCs), specifically SiC/SiC composites, represent a significant innovation in aerospace material technology, offering superior performance over traditional nickel-based superalloys in high-temperature turbine blade applications. This study presents a novel techno-economic assessment, filling a critical gap in the literature by directly comparing the economic and technical viability of CMCs versus superalloys. Unlike previous studies, which primarily focus on technical performance or cost analysis independently, this work integrates both aspects, providing a holistic comparison across key economic metrics, including acquisition, machining, maintenance, and recycling costs. The results demonstrate that SiC/SiC blades offer a 15–20% higher Net Present Value (NPV) and a 17% greater Internal Rate of Return (IRR) over a 20-year lifecycle than superalloys. Despite higher initial costs, CMCs achieve an estimated 2 to 3 years reduction in payback period, mainly due to their superior thermal and creep resistance, leading to fewer maintenance interventions and longer operational lifetimes. Although machining costs for CMCs are higher, these are more than offset by the long-term savings achieved through improved fuel efficiency and lower maintenance costs. A comprehensive sensitivity analysis, incorporating fluctuations in discount rates and material costs, further validates the economic robustness of CMCs in various operational scenarios. This study is the first to compare CMCs and superalloys, offering new insights into the financial implications of material selection in aerospace manufacturing. The findings present critical engineering recommendations that empower aerospace manufacturers and decision-makers to optimise material selection for improved efficiency and cost-effectiveness in high-performance turbine applications. Section (typography) ; Ceramic matrix composite ; Ceramic ; Composite material ; Matrix (chemical analysis) ; Materials science ; Aero engine ; Engineering ; Mechanical engineering ; Computer science Material Properties and Applications ; Aluminum Alloys Composites Properties ; Aluminum Alloy Microstructure Properties
Authors: Christian Machado | Bernhard J. Stern | Haiyue Huang | Asma Ul Hosna Meem | Jiaxing Huang | Kyoo‐Chul Park
Source: Science Advances (article, 2024-10-30)
Field: Materials Science — Surfaces, Coatings and Films

Robust hybrid diffusion control for long-term scalable frost prevention Antifrosting surfaces are critical to the efficient and safe operation of infrastructure in cold and humid environments where deposition of frost (porous ice) is thermodynamically inevitable. Such infrastructure can include above-ground power cables and outdoor heat pumps. Here, we introduce a hybrid surface design that passively controls the diffusion of water vapor over a surface to sustain flat frost-free regions for long periods of time. We report more than 150 hours (~1 week) of frost prevention for a single hybrid unit cell, which is three orders of magnitude longer than reported frosting onset for other state-of-the-art techniques. We then demonstrate the potential for large-area frost prevention by scalable tessellation of unit cells and an intrinsic durability to scratches/cracks and physical contamination. Frost (temperature) ; Durability ; Diffusion ; Environmental science ; Frost weathering ; Materials science ; Computer science ; Composite material ; Soil science Surface Modification and Superhydrophobicity ; Icing and De-icing Technologies ; Solar-Powered Water Purification Methods
Authors: Natasha Aquinas | Ramananda M Bhat | Subbalaxmi Selvaraj
Source: Journal of Polymers and the Environment (article, 2024-04-22)
Field: Materials Science — Biomaterials

Submerged Fermentation and Kinetics of Newly Isolated Priestia megaterium for the Production of Biopolymer Curdlan Abstract In this study, a curdlan-producing bacterium was isolated from Cow pea soil and identified as Priestia megaterium based on 16 S rRNA sequencing. To identify the most suitable carbon and nitrogen sources for curdlan production, submerged fermentation studies with different sources was carried out. To enhance the curdlan yield, optimization by one-factor-at-a-time approach was conducted. The optimal fermentation media consisted of 15% (w/v) sucrose, 0.1% (w/v) urea, 0.1% (w/v) KH 2 PO 4 , 0.04% (w/v) MgSO 4 ·7H 2 O, trace elements, initial pH of 7.0 with 10% (v/v) inoculum size and agitation speed of 180 rpm. Kinetics of growth, curdlan yield, sucrose and ammonia depletion were studied for a period of 168 h. Maximum curdlan yield (0.31 g/L) was achieved at 96 h of fermentation. At this point, the fermentation media had an optical density of 9.68, biomass concentration of 4.26 mg/mL, and viable count of 2.4 × 10 4 CFU/mL. Additionally, the maximum percentage consumption of sucrose and ammonia over 168 h of fermentation were 75 and 62.5%, respectively. Finally, the identity of biopolymer curdlan was validated through characterization techniques such as Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM) and Thermogravimetric analysis (TGA). Some characteristic features of curdlan such as the β-1,3-linkage was depicted by the absorption band at 890 cm −1 in FTIR, flaky granules with irregularities as seen in SEM, and thermal degradation between 235 and 350 °C by TGA. To the best of our knowledge, this is the first report on curdlan production from Priestia megaterium. Biopolymer ; Curdlan ; Materials science ; Bacillus megaterium ; Kinetics ; Fermentation ; Production (economics) ; Chemical engineering ; Food science ; Composite material ; Biology ; Polymer ; Biochemistry ; Polysaccharide ; Bacteria biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis ; Bone Tissue Engineering Materials
Authors: Mohamed Salaheldeen | V. Zhukova | James Rosero | Daniel Salazar | M. Ipatov | А. Zhukov
Source: Materials (article, 2024-04-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Comparison of the Magnetic and Structural Properties of MnFePSi Microwires and MnFePSi Bulk Alloy We provide comparative studies of the structural, morphological, microstructural, and magnetic properties of MnFePSi-glass-coated microwires (MnFePSi-GCMWs) and bulk MnFePSi at different temperatures and magnetic fields. The structure of MnFePSi GCMWs prepared by the Taylor-Ulitovsky method consists of the main Fe<sub>2</sub>P phase and secondary impurities phases of Mn<sub>5</sub>Si<sub>3</sub> and Fe<sub>3</sub>Si, as confirmed by XRD analysis. Additionally, a notable reduction in the average grain size from 24 µm for the bulk sample to 36 nm for the glass-coated microwire sample is observed. The analysis of magnetic properties of MnFePSi-glass-coated microwires shows different magnetic behavior as compared to the bulk MnFePSi. High coercivity (450 Oe) and remanence (0.32) are observed for MnFePSi-GCMWs compared to low coercivity and remanent magnetization observed for bulk MnFePSi alloy. In addition, large irreversibility at low temperatures is observed in the thermal dependence of magnetization of microwires. Meanwhile, the bulk sample shows regular ferromagnetic behavior, where the field cooling and field heating magnetic curves show a monotonic increase by decreasing the temperature. The notable separation between field cooling and field heating curves of MnFePSi-GCMWs is seen for the applied field at 1 kOe. Also, the M/M<sub>5K</sub> vs. T for MNFePSi-GCMWs shows a notable sensitivity at a low magnetic field compared to a very noisy magnetic signal for bulk alloy. The common features for both MnFePSi samples are high Curie temperatures above 400 K. From the experimental results, we can deduce the substantial effect of drawing and quenching involved in the preparation of glass-coated MnFePSi microwires in modification of the microstructure and magnetic properties as compared to the same bulk alloy. The provided studies prove the suitability of the Taylor-Ulitovsky method for the preparation of MnFePSi-glass-coated microwires. Coercivity ; Materials science ; Remanence ; Curie temperature ; Condensed matter physics ; Alloy ; Magnetization ; Ferromagnetism ; Phase (matter) ; Quenching (fluorescence) ; Impurity ; Magnetic field ; Metallurgy ; Optics ; Chemistry Magnetic and transport properties of perovskites and related materials ; Magnetic Properties of Alloys ; Heusler alloys: electronic and magnetic properties
Authors: Panzhen Zhao | Songfeng Wang | Shijiang Duan | Aihua Wang | Lingfeng Meng | Yichong Hu
Source: Frontiers in Plant Science (article, 2024-12-18)
Field: Chemistry — Analytical Chemistry

TCSRNet: a lightweight tobacco leaf curing stage recognition network model Due to the constraints of the tobacco leaf curing environment and computational resources, current image classification models struggle to balance recognition accuracy and computational efficiency, making practical deployment challenging. To address this issue, this study proposes the development of a lightweight classification network model for recognizing tobacco leaf curing stages (TCSRNet). Firstly, the model utilizes an Inception structure with parallel convolutional branches to capture features at different receptive fields, thereby better adapting to the appearance variations of tobacco leaves at different curing stages. Secondly, the incorporation of Ghost modules significantly reduces the model's computational complexity and parameter count through parameter sharing, enabling efficient recognition of tobacco leaf curing stages. Lastly, the design of the Multi-scale Adaptive Attention Module (MAAM) enhances the model's perception of key visual information in images, emphasizing distinctive features such as leaf texture and color, which further improves the model's accuracy and robustness. On the constructed tobacco leaf curing stage dataset (with color images sized 224×224 pixels), TCSRNet achieves a classification accuracy of 90.35% with 158.136 MFLOPs and 1.749M parameters. Compared to models such as ResNet34, GhostNet, ShuffleNetV2×1.5, EfficientNet-b0, MobileViT-xs, MobileNetV2, MobileNetV3-large, and MobileNetV3-small, TCSRNet demonstrates superior performance in terms of accuracy, FLOPs, and parameter count. Furthermore, when evaluated on the public V2 Plant Seedlings dataset, TCSRNet maintains an impressive accuracy of 97.15% compared to other advanced network models. This research advances the development of lightweight models for recognizing tobacco leaf curing stages, providing theoretical support for smart tobacco curing technologies and injecting new momentum into the digital transformation of the tobacco industry. Tobacco leaf ; Curing (chemistry) ; Curing of tobacco ; Botany ; Biology ; Engineering ; Materials science ; Composite material ; Agricultural engineering Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Advanced Chemical Sensor Technologies
Authors: Jonathan D. Roth | Cody L. Hoop | Jonathan K. Williams | Vikas Nanda | Jean Baum
Source: Proceedings of the National Academy of Sciences (article, 2024-08-05)
Field: Materials Science — Biomaterials

Real-time single-molecule observation of incipient collagen fibrillogenesis and remodeling The hierarchic assembly of fibrillar collagen into an extensive and ordered supramolecular protein fibril is critical for extracellular matrix function and tissue mechanics. Despite decades of study, we still know very little about the complex process of fibrillogenesis, particularly at the earliest stages where observation of rapidly forming, nanoscale intermediates challenges the spatial and temporal resolution of most existing microscopy methods. Using video rate scanning atomic force microscopy (VRS-AFM), we can observe details of the first few minutes of collagen fibril formation and growth on a mica surface in solution. A defining feature of fibrillar collagens is a 67-nm periodic banding along the fibril driven by the organized assembly of individual monomers over multiple length scales. VRS-AFM videos show the concurrent growth and maturation of small fibrils from an initial uniform height to structures that display the canonical banding within seconds. Fibrils grow in a primarily unidirectional manner, with frayed ends of the growing tip latching onto adjacent fibrils. We find that, even at extremely early time points, remodeling of growing fibrils proceeds through bird-caging intermediates and propose that these dynamics may provide a pathway to mature hierarchic assembly. VRS-AFM provides a unique glimpse into the early emergence of banding and pathways for remodeling of the supramolecular assembly of collagen during the inception of fibrillogenesis. Fibrillogenesis ; Fibril ; Biophysics ; Collagen fibril ; Atomic force microscopy ; Chemistry ; Supramolecular chemistry ; Extracellular matrix ; Nanotechnology ; Crystallography ; Materials science ; Biology ; Biochemistry ; Crystal structure Collagen: Extraction and Characterization ; Bone and Dental Protein Studies ; Connective tissue disorders research
Authors: Amandine Roux | Zaynab Alsalman | Tao Jiang | Jean‐Christophe Mulatier | Delphine Pitrat | Élise Dumont | François Riobé | Natacha Gillet | Éric Girard | Olivier Maury
Source: Chemistry - A European Journal (article, 2024-05-13)
Field: Materials Science — Materials Chemistry

Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network Crystallophores are lanthanide complexes that have demonstrated outstanding induction of crystallization for various proteins. This article explores the effect of tailored modifications of the crystallophore first generation and their impact on the nucleating properties and protein crystal structures. Through high-throughput crystallization experiments and dataset analysis, we evaluated the effectiveness of these variants, in comparison to the first crystallophore generation G<sub>1</sub>. In particular, the V<sub>1</sub> variant, featuring a propanol pendant arm, demonstrated the ability to produce new crystallization conditions for the proteins tested (hen-egg white lysozyme, proteinase K and thaumatin). Structural analysis performed in the case of hen egg-white lysozyme along with Molecular Dynamics simulations, highlights V<sub>1</sub>'s unique behavior, taking advantage of the flexibility of its propanol arm to explore different protein surfaces and form versatile supramolecular interactions. Thaumatin ; Crystallization ; Lysozyme ; Supramolecular chemistry ; Protein crystallization ; Chemistry ; Nucleation ; Ovalbumin ; Flexibility (engineering) ; Crystallography ; Materials science ; Crystal structure ; Biochemistry ; Biology ; Organic chemistry Enzyme Structure and Function ; Protein Structure and Dynamics ; Crystallization and Solubility Studies
Authors: Fatima Benkhedda | Ismail Bensaid | A. Benmoussat | Sid Ahmed Benmansour | A. Zenati
Source: Metals (article, 2024-03-26)
Field: Materials Science — Materials Chemistry

Corrosion of API 5L X60 Pipeline Steel in Soil and Surface Defects Detection by Ultrasonic Analysis The corrosion steels phenomenon is one of the main problems in the oil industry, such as in buried transmission pipelines used for high gas pressure for long distances. Steels are protected from the external soil corrosion through a bituminous coating, whose action is coupled with a cathodic protection system, which aims to maintain steel in its protection field and thus to avoid any corrosion risk. However, steels in service may experience external surface defects like corrosion pitting and cracking due to electrochemical or mechanical interactions of bare steel with an aggressive soil solution after steel protection failure. These are concerning phenomena and are the major threats of the pipeline transmission system’s reliability and ecological safety. Corrosion mechanisms are varied and can be evaluated by different methods, such as electrochemical measurements, which are influenced by various factors like temperature, pH, soil characteristics, resistivity, water content, and as well mechanical stresses. Corrosion results from simulated artificial soil solutions showed that steel is sensitive to corrosion by soil. Surface defects detection was carried out using an ultrasonic non-destructive method such as C-Scan Emission testing and the time of flight diffraction technique (TOFD) ultrasonic non-contact testing method. After propagation of the ultrasonic waves, the diffracted ultrasonic reflected wave occurring at the edges of the defects appears due to the presence of a corrosion defect by generating defect echoes. The C-Scan ultrasonic image shows surface reflection, including corrosion defects on interfaces with varying acoustic impedances. The cross-transverse speed ultrasonic propagation through the plate including defect is modified, revealing more surface defects, and cross-transverse speed is shown to increase ultrasonic detection presents some advantages, such as precision and speed of detection without alteration to the structure. This method can be used in the industrial context as an intelligent industrial robotics technique. Corrosion ; Ultrasonic sensor ; Pipeline (software) ; Materials science ; Metallurgy ; Ultrasonic testing ; Forensic engineering ; Environmental science ; Engineering ; Acoustics ; Mechanical engineering ; Physics Corrosion Behavior and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals ; Non-Destructive Testing Techniques
Authors: Li Yin | Hong Tang | Tom Berlijn | Adrienn Ruzsinszky
Source: npj Computational Materials (article, 2024-09-07)
Field: Materials Science — Materials Chemistry

Efficient simulations of charge density waves in the transition metal Dichalcogenide TiSe2 Charge density waves (CDWs) in transition metal dichalcogenides are the subject of growing scientific interest due to their rich interplay with exotic phases of matter and their potential technological applications. Here, using density functional theory with advanced meta-generalized gradient approximations (meta-GGAs) and linear response time-dependent density functional theory (TDDFT) with state-of-the-art exchange-correlation kernels, we investigate the electronic, vibrational, and optical properties in 1T-TiSe2 with and without CDW. In both bulk and monolayer TiSe2, the electronic bands and phonon dispersions in either normal or CDW (semiconducting) phase are described well via meta-GGAs, which separate the valence and conduction bands just as HSE06 does but with significantly more computational feasibility. The experimentally observed humps of electron energy loss spectroscopy are successfully reproduced in TDDFT. Our work opens the door to simulating these complexities in CDW compounds from first principles by revealing meta-GGAs as an accurate low-cost alternative to HSE06. Transition metal ; Charge density wave ; Condensed matter physics ; Charge (physics) ; Charge density ; Materials science ; Metal ; Chemistry ; Physics ; Metallurgy ; Quantum mechanics 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films ; Organic and Molecular Conductors Research
Authors: D. Muthukumar | Kalathiparambil Rajendra Pai Sunajadevi | Michaël Badawi | Renjith S. Pillai
Source: ACS Applied Nano Materials (article, 2024-07-15)
Field: Chemistry — Inorganic Chemistry

Molecular Simulation Prediction on SO<sub>2</sub> Gas Adsorption in Bipyridine Ligand-Based Square-Pillared MOFs Increasing concentrations of toxic gases caused by the burning of fossil fuels necessitates the development of efficient porous materials for gas capture. Metal–organic frameworks (MOFs) have attracted a lot of attention as potential porous materials due to their effectiveness in adsorption of toxic gases. In particular, square-pillared metal–organic frameworks stand out for their exceptional potential toward gas adsorption, attributed to their remarkable surface area, thermal and chemical stabilities, and tunable properties. In this context, molecular simulations have been executed to observe and analyze the adsorption process of toxic flue gases such as SO2 and CO2 on MOFs. The present work deals with two different stable fluorinated MOFs named [Ni(4,4′-bipyridine)2(AlF5)]n (ALFFIVE-Ni-bipy) and [Ni(4,4′-bipyridine)2(NbOF5)]n, (NBOFFIVE-Ni-bipy) featuring AlF52– and NbOF52– anion pillars, respectively, comprising 4,4′-bipyridine as organic ligand and nickel as the central metal. The significance of utilizing the 4,4′-bipyridine ligands in these fluorinated MOFs enhances the SO2 gas adsorption and selectivity in the framework. Density functional theory has been implemented for geometry optimization, and Grand Canonical Monte Carlo simulations have been performed to forecast the adsorption isotherms. Both ALFFIVE-Ni-bipy (11.4 mmol/g) and NBOFFIVE-Ni-bipy (8.7 mmol/g) showed high SO2 adsorption capacity at 1 bar pressure, but ALFFIVE-Ni-bipy showed very good adsorption than other square-pillared MOFs and also unveiled good selectivity of SO2 gas. The coadsorption of binary SO2/CO2 and ternary SO2/CO2/N2 gas mixtures at ambient conditions indicated that the cost-effective aluminum (Al)-based square-pillared ALFFIVE-Ni-bipy is particularly suitable for acid gas adsorption. Square (algebra) ; Adsorption ; Ligand (biochemistry) ; Bipyridine ; Materials science ; Chemistry ; Crystallography ; Physical chemistry ; Mathematics ; Crystal structure Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Covalent Organic Framework Applications
Authors: Hong Yin | Wen‐Long Mo | Luqiao Li | Yiting Ma | Jinhong Chen | Shuijin Zhu | Tianlun Zhao
Source: Foods (article, 2024-05-20)
Field: Chemistry — Analytical Chemistry

Near-Infrared Spectroscopy Analysis of the Phytic Acid Content in Fuzzy Cottonseed Based on Machine Learning Algorithms Cottonseed is rich in oil and protein. However, its antinutritional factor content, of phytic acid (PA), has limited its utilization. Near-infrared (NIR) spectroscopy, combined with chemometrics, is an efficient and eco-friendly analytical technique for crop quality analysis. Despite its potential, there are currently no established NIR models for measuring the PA content in fuzzy cottonseeds. In this research, a total of 456 samples of fuzzy cottonseed were used as the experimental materials. Spectral pre-treatments, including first derivative (1D) and standard normal variable transformation (SNV), were applied, and the linear partial least squares (PLS), nonlinear support vector machine (SVM), and random forest (RF) methods were utilized to develop accurate calibration models for predicting the content of PA in fuzzy cottonseed. The results showed that the spectral pre-treatment significantly improved the prediction performance of the models, with the RF model exhibiting the best prediction performance. The RF model had a coefficient of determination in prediction <i>(R</i><sup>2</sup><i><sub>p</sub></i>) of 0.9114, and its residual predictive deviation (RPD) was 3.9828, which indicates its high accuracy in measuring the PA content in fuzzy cottonseed. Additionally, this method avoids the costly and time-consuming delinting and crushing of cottonseeds, making it an economical and environmentally friendly alternative. Phytic acid ; Algorithm ; Cottonseed ; Fuzzy logic ; Gossypol ; Cottonseed meal ; Infrared spectroscopy ; Content (measure theory) ; Spectroscopy ; Chemistry ; Artificial intelligence ; Computer science ; Machine learning ; Mathematics ; Food science ; Biochemistry ; Physics ; Organic chemistry ; Raw material Spectroscopy and Chemometric Analyses ; Phytase and its Applications ; Food composition and properties