jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Farah Ramadhani | M.A. Hussain | Hazlie Mokhlis | Oon Erixno
Source: Processes (review, 2022-10-19)
Field: Materials Science — Materials Chemistry

Solid Oxide Fuel Cell-Based Polygeneration Systems in Residential Applications: A Review of Technology, Energy Planning and Guidelines for Optimizing the Design Solid oxide fuel cells are an emerging energy conversion technology suitable for high-temperature power generation with proper auxiliary heat. Combining SOFCs and polygeneration has produced practical applications for modern energy system designs. Even though many researchers have reviewed these systems’ technologies, opportunities and challenges, reviews regarding the optimal strategy for designing and operating the systems are limited. Polygeneration is more complicated than any other energy generation type due to its ability to generate many types of energy from various prime movers. Moreover, integration with other applications, such as vehicle charging and fueling stations, increases the complication in making the system optimally serve the loads. This study elaborates on the energy planning and guidelines for designing a polygeneration system, especially for residential applications. The review of polygeneration technologies also aligns with the current research trend of developing green technology for modern and smart homes in residential areas. The proposed guideline is expected to solve the complication in other applications and technologies and design the polygeneration system optimally. Solid oxide fuel cell ; Fuel cells ; Process engineering ; Systems engineering ; Energy transformation ; Computer science ; Engineering Advancements in Solid Oxide Fuel Cells ; Fuel Cells and Related Materials ; Advanced battery technologies research
Authors: Souad Djellali | Amani Touati | Abderrahmane Semmeq | Maya Kebaili | Michaël Badawi | Adrián Bonilla‐Petriciolet
Source: International Journal of Chemical Engineering (article, 2022-01-01)
Field: Materials Science — Polymers and Plastics

Unravelling the Methylene Blue Adsorption Mechanism on Doped and Nondoped Polyaniline: A Combined Molecular Modeling and Experimental Investigation A multiscale investigation including computational chemistry calculations and experimental studies was performed to elucidate and understand the methylene blue (MB) adsorption on polyaniline (PANI) from an aqueous solution. Static DFT and DFT‐based ab initio molecular dynamics were used to characterize the intermolecular interactions of this dye molecule with nondoped and doped PANI. Experimental adsorption studies at different operating conditions were performed to complement the mechanism analysis of this adsorption system. Infrared spectroscopy studies and ab initio calculations showed the important role of π ‐ π stacking and van der Waals interactions for the dye adsorption on PANI. Experimental results of MB adsorption on the PANI surface indicated that alkaline conditions were more favorable than acidic conditions where the MB adsorption capacity ranged from 9.91 mg/g at pH 1.8 to 23.16 mg/g at pH 10.9. Equilibrium adsorption studies with nondoped PANI revealed a fast removal of the dye molecules where the equilibrium adsorption was reached after 45 minutes. The kinetic parameters were calculated with the pseudo‐second and pseudo‐first order models, while the adsorption mechanism was analyzed using the intraparticle diffusion, Boyd, and Elovich models. Dye adsorption equilibrium was studied at pH 8 and 30 °C where Temkin, Freundlich, Langmuir, and Dubinin‐Radushkevich (D‐R) isotherm models as well as a statistical physics monolayer model were employed in data analysis. The saturation dye adsorption capacity was 40.2 mg/g where an inclined adsorption orientation of dye molecules on the PANI surface could be expected with an adsorption energy of 14.0 kJ/mol. This interaction energy clearly indicated that only physical interactions were involved in the MB dye adsorption mechanism, which was also confirmed by the calculations with the D‐R isotherm model. These theoretical and experimental results are important to understand the dye adsorption properties of conductive polymers and to consolidate their application in the synthesis of new adsorbents and composites for water treatment. Adsorption ; Freundlich equation ; Langmuir ; Ab initio ; Molecule ; Polyaniline ; Methylene blue ; Chemistry ; Materials science ; Aqueous solution ; Langmuir adsorption model ; van der Waals force ; Physical chemistry ; Chemical engineering ; Organic chemistry ; Polymer Conducting polymers and applications ; Electrochemical sensors and biosensors ; Electrochemical Analysis and Applications
Authors: Bohayra Mortazavi | Xiaoying Zhuang | Timon Rabczuk
Source: Applied Physics A (article, 2022-09-29)
Field: Materials Science — Materials Chemistry

A first-principles study on the physical properties of two-dimensional Nb3Cl8, Nb3Br8 and Nb3I8 Monolayer ; Phonon ; Materials science ; Exfoliation joint ; Anisotropy ; Graphene ; Isotropy ; Lattice (music) ; Condensed matter physics ; Nanotechnology ; Physics ; Optics MXene and MAX Phase Materials ; Ammonia Synthesis and Nitrogen Reduction ; Superconductivity in MgB2 and Alloys
Authors: Alexander N. Vaneev | Roman V. Timoshenko | Petr V. Gorelkin | Natalia L. Klyachko | Yuri E. Korchev | Alexander S. Erofeev
Source: Nanomaterials (review, 2022-10-25)
Field: Chemistry — Electrochemistry

Nano- and Microsensors for In Vivo Real-Time Electrochemical Analysis: Present and Future Perspectives Electrochemical nano- and microsensors have been a useful tool for measuring different analytes because of their small size, sensitivity, and favorable electrochemical properties. Using such sensors, it is possible to study physiological mechanisms at the cellular, tissue, and organ levels and determine the state of health and diseases. In this review, we highlight recent advances in the application of electrochemical sensors for measuring neurotransmitters, oxygen, ascorbate, drugs, pH values, and other analytes in vivo. The evolution of electrochemical sensors is discussed, with a particular focus on the development of significant fabrication schemes. Finally, we highlight the extensive applications of electrochemical sensors in medicine and biological science. Electrochemistry ; In vivo ; Nanotechnology ; Nano- ; Materials science ; Analyte ; Electrochemical gas sensor ; Human health ; Biochemical engineering ; Computer science ; Chemistry ; Electrode ; Biology ; Medicine ; Engineering ; Chromatography ; Biotechnology Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Analytical Chemistry and Sensors
Authors: Xiaodi Dong | Baoquan Wan | Lin Qiu | Ming‐Sheng Zheng | Jiefeng Gao | Jun‐Wei Zha
Source: IET Nanodielectrics (article, 2022-12-19)
Field: Chemistry — Spectroscopy

Rigid/flexible molecular structure‐induced polyimide aerogels with ultralow permittivity and thermal insulation properties Abstract A series of high‐performance linear and cross‐linked polyimide (PI) aerogels with different molecular structures have been successfully synthesised using the freeze‐drying process. In this study, the comprehensive regulation of microstructure, thermodynamic, thermal insulation and dielectric properties of PI aerogels are achieved by controlling the rigid/flexible structure and composition of polymerised monomers. The increase in rigidity of PI molecular structure could promote the formation of denser pores, which is beneficial to improve the thermodynamic and thermal insulation properties of aerogels. Notably, the cross‐linked PI aerogel prepared by introducing cross‐linking agent (tris(4‐aminophenyl) amine, [TPA]) into linear PI exhibits high thermal stability ( T d 5% &gt; 560°C), excellent ultralow permittivity ( ε r = 1.31, f = 10 6 Hz) and good thermal insulation property ( k = 0.056 W/m · K). This innovative strategy promotes the wider application of the cross‐linked polyimide aerogel in the field of integrated circuits and aerospace exploration. Polyimide ; Aerogel ; Materials science ; Thermal insulation ; Thermal stability ; Composite material ; Permittivity ; Dielectric ; Thermal ; Rigidity (electromagnetism) ; Microstructure ; Polymer ; Monomer ; Chemical engineering ; Layer (electronics) ; Optoelectronics ; Thermodynamics Aerogels and thermal insulation ; Advanced Sensor and Energy Harvesting Materials ; Dielectric materials and actuators
Authors: Zhengguang Wang | Bing Liu | Bangzhao Yin | Yufeng Zheng | Yun Tian | Peng Wen
Source: Frontiers in Chemistry (article, 2022-11-29)
Field: Materials Science — Biomaterials

Comprehensive review of additively manufactured biodegradable magnesium implants for repairing bone defects from biomechanical and biodegradable perspectives Bone defect repair is a complicated clinical problem, particularly when the defect is relatively large and the bone is unable to repair itself. Magnesium and its alloys have been introduced as versatile biomaterials to repair bone defects because of their excellent biocompatibility, osteoconductivity, bone-mimicking biomechanical features, and non-toxic and biodegradable properties. Therefore, magnesium alloys have become a popular research topic in the field of implants to treat critical bone defects. This review explores the popular Mg alloy research topics in the field of bone defects. Bibliometric analyses demonstrate that the degradation control and mechanical properties of Mg alloys are the main research focus for the treatment of bone defects. Furthermore, the additive manufacturing (AM) of Mg alloys is a promising approach for treating bone defects using implants with customized structures and functions. This work reviews the state of research on AM-Mg alloys and the current challenges in the field, mainly from the two aspects of controlling the degradation rate and the fabrication of excellent mechanical properties. First, the advantages, current progress, and challenges of the AM of Mg alloys for further application are discussed. The main mechanisms that lead to the rapid degradation of AM-Mg are then highlighted. Next, the typical methods and processing parameters of laser powder bed fusion fabrication on the degradation characteristics of Mg alloys are reviewed. The following section discusses how the above factors affect the mechanical properties of AM-Mg and the recent research progress. Finally, the current status of research on AM-Mg for bone defects is summarized, and some research directions for AM-Mg to drive the application of clinical orthopedic implants are suggested. Biocompatibility ; Materials science ; Fabrication ; Magnesium ; Biomedical engineering ; Nanotechnology ; Metallurgy ; Medicine Magnesium Alloys: Properties and Applications ; Bone Tissue Engineering Materials ; Hydrogen Storage and Materials
Authors: Mateusz Motyl | Łukasz Madej
Source: Archives of Civil and Mechanical Engineering (article, 2022-09-21)
Field: Materials Science — Metals and Alloys

Supervised pearlitic–ferritic steel microstructure segmentation by U-Net convolutional neural network Abstract The aim of this work is to develop an automated procedure based on machine learning capabilities for the identification of the pearlite islands within the two-phase pearlitic–ferritic steel. The input parameters for the custom implementation of a braided neural network are provided as a data set of scanning electron microscopy images of metallographic specimens. The procedures related to the processing of the data and the optimization parameters affecting the final architecture and effectiveness of the network learning stage are examined. The objective is to find the best solution to the problem of ferritic–pearlitic microstructure segmentation, allowing further processing during, e.g., 3D reconstruction of data from serial sectioning. The work examines the various quality of input data and different U-Net architectures to find the one that can identify pearlite islands with the highest precision. Two types of images acquired from secondary electron (SE) and electron backscattered diffraction (EBSD) detectors are used during the investigation. The work revealed that the developed approach offers improvements in metallographic investigations by removing the requirement for expert knowledge for the interpretation of image data prior to further characterization. It has also been proven that artificial neural networks based on the deep learning process using extensible U-Net network architectures and nonlinear learning tools can identify pearlite islands within a two-phase microstructure, while the overtraining level remains low. Convolutional neural networks do not require manual feature extraction and are able to automatically find appropriate search functions to recognize pearlite structure areas in the training process without human intervention. It was shown that the network recognizes areas of analyzed steel with satisfactory precision of 79% for EBSD and 87% for SE images. Pearlite ; Convolutional neural network ; Electron backscatter diffraction ; Artificial neural network ; Artificial intelligence ; Segmentation ; Materials science ; Pattern recognition (psychology) ; Computer science ; Process (computing) ; Microstructure ; Deep learning ; Machine learning ; Metallurgy Hydrogen embrittlement and corrosion behaviors in metals ; Microstructure and Mechanical Properties of Steels ; Welding Techniques and Residual Stresses
Authors: Pavel Ferkl | Pavel Hrma | Albert A. Kruger
Source: Journal of Non-Crystalline Solids (article, 2022-07-29)
Field: Materials Science — Materials Chemistry

Augmented Adam-Gibbs model for glass melt viscosity and configuration entropy as functions of temperature and composition Thermodynamics ; Glass transition ; Viscosity ; Composition (language) ; Gibbs free energy ; Vitrification ; Configuration entropy ; Materials science ; Mineralogy ; Chemistry ; Physics ; Polymer ; Composite material Material Dynamics and Properties ; Glass properties and applications
Authors: Simone Figorilli | Simona Violino | Lavinia Moscovini | Luciano Ortenzi | Giorgia Salvucci | Simone Vasta | Francesco Tocci | Corrado Costa | Pietro Toscano | Federico Pallottino
Source: Foods (article, 2022-10-27)
Field: Chemistry — Analytical Chemistry

Olive Fruit Selection through AI Algorithms and RGB Imaging (1) Background: Extra virgin olive oil production is strictly influenced by the quality of fruits. The optical selection allows for obtaining high quality oils starting from batches with different qualitative characteristics. This study aims to test a CNN algorithm in order to assess its potential for olive classification into several quality classes for industrial purposes, specifically its potential integration and sorting performance evaluation. (2) Methods: The acquired samples were all subjected to visual analysis by a trained operator for the distinction of the products in five classes related to the state of external veraison and the presence of visible defects. The olive samples were placed at a regular distance and in a fixed position on a conveyor belt that moved at a constant speed of 1 cm/s. The images of the olives were taken every 15 s with a compact industrial RGB camera mounted on the main frame in aluminum to allow overlapping of the images, and to avoid loss of information. (3) Results: The modelling approaches used, all based on AI techniques, showed excellent results for both RGB datasets. (4) Conclusions: The presented approach regarding the qualitative discrimination of olive fruits shows its potential for both sorting machine performance evaluation and for future implementation on machines used for industrial sorting processes. RGB color model ; Sorting ; Artificial intelligence ; Computer science ; Olive oil ; Frame (networking) ; Selection (genetic algorithm) ; Computer vision ; Pattern recognition (psychology) ; Algorithm ; Food science ; Biology Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Advanced Chemical Sensor Technologies
Authors: S. V. Yudintsev | Maximilian S. Nickolsky | Michael I. Ojovan | O.I. Stefanovsky | Б. С. Никонов | Amina S. Ulanova
Source: Materials (review, 2022-09-02)
Field: Materials Science — Materials Chemistry

Zirconolite Polytypes and Murataite Polysomes in Matrices for the REE—Actinide Fraction of HLW Electron backscatter diffraction (EBSD) has been used for more than 30 years for analyzing the structure of minerals and artificial substances. In recent times, EBSD has been widely applied for investigation of irradiated nuclear fuel and matrices for the immobilization of radioactive waste. The combination of EBSD and scanning electron microscopy (SEM/EDS) methods allows researchers to obtain simultaneously data on a specimen's local composition and structure. The article discusses the abilities of SEM/EDS and EBSD techniques to identify zirconolite polytype modifications and members of the polysomatic murataite-pyrochlore series in polyphase ceramic matrices, with simulations of Pu (Th) and the REE-actinide fraction (Nd) of high-level radioactive waste. Zirconolite ; Actinide ; Electron backscatter diffraction ; Materials science ; Radioactive waste ; Radiochemistry ; Scanning electron microscope ; Nuclear chemistry ; Apatite ; Metallurgy ; Mineralogy ; Pyrochlore ; Microstructure ; Composite material ; Chemistry ; Phase (matter) Nuclear materials and radiation effects ; Nuclear Materials and Properties ; Radioactive element chemistry and processing
Authors: María Agnese Morando | Francesca Venturella | Martina Sollazzo | Elisa Monaca | Raffaele Sabbatella | Valeria Vetri | Rosa Passantino | Annalisa Pastore | Caterina Alfano
Source: Communications Biology (article, 2022-07-25)
Field: Materials Science — Surfaces, Coatings and Films

Solution structure of recombinant Pvfp-5β reveals insights into mussel adhesion Some marine organisms can resist to aqueous tidal environments and adhere tightly on wet surface. This behavior has raised increasing attention for potential applications in medicine, biomaterials, and tissue engineering. In mussels, adhesive forces to the rock are the resultant of proteinic fibrous formations called byssus. We present the solution structure of Pvfp-5β, one of the three byssal plaque proteins secreted by the Asian green mussel Perna viridis, and the component responsible for initiating interactions with the substrate. We demonstrate that Pvfp-5β has a stably folded structure in agreement with the presence in the sequence of two EGF motifs. The structure is highly rigid except for a few residues affected by slow local motions in the µs-ms time scale, and differs from the model calculated by artificial intelligence methods for the relative orientation of the EGF modules, which is something where computational methods still underperform. We also show that Pvfp-5β is able to coacervate even with no DOPA modification, giving thus insights both for understanding the adhesion mechanism of adhesive mussel proteins, and developing of biomaterials. Byssus ; Perna viridis ; Mussel ; Adhesion ; Mytilus ; Coacervate ; Chemistry ; Adhesive ; Recombinant DNA ; Aqueous solution ; Substrate (aquarium) ; Biophysics ; Nanotechnology ; Materials science ; Biology ; Biochemistry ; Ecology ; Layer (electronics) Polymer Surface Interaction Studies ; Adhesion, Friction, and Surface Interactions ; Marine Biology and Environmental Chemistry
Authors: Manjula Thangaraj | Bhavan Periyakali Saravana | Thanasekaran Jayakumar | Sheu Joen-Rong | Manjunath Manubolu | P. Kavitha
Source: GSC Biological and Pharmaceutical Sciences (article, 2022-05-11)
Field: Chemistry — Organic Chemistry

Phytochemicals of algae, Arthospira platensis (spirulina) Chlorella vulgaris (chlorella) and Azolla pinnata (azolla) The present investigation was carried out to understand the proximate composition, and the secondary phytochemical compounds and their metabolites present in algae, spirulina, chlorella and azolla. Spirulina contains a rich source of crude protein (58.94%), followed by chlorella (47.08%) and azolla (21.82%). The content of crude fat was higher in chlorella (5.68%), followed by azolla (4.00%) and spirulina (1.54%). The crude fibre level was found to be higher in azolla (26.21%), followed by chlorella (2.87%) and spirulina (1.00%). The gross energy was higher in chlorella (4,377 kcal/kg), followed by spirulina (4,183 kcal/kg) and azolla (3,295 kcal/kg). The secondary phytochemical analysis revealed presence of alkaloids, terpenoids, flavonoids, tannis, polyphenols, saponins, cardiac glycoside and quinones in these algae at different levels. The GC-MS analysis showed presence of 11 metabolic compounds, of which 5 from petroleum etheric extract and 6 from methanolic extract. The chlorella showed presence of 14 secondary metabolites, of which 5 from petroleum etheric extract and 9 from methanolic extract. In azolla, there were 13 secondary metabolic compounds, of which 6 from petroleum etheric extract and 7 from methanolic extract. Therefore, a total of 38 secondary metabolites, which includes 12 different bioactive principle compounds, were identified in these algae. Docosane was found to be present both in spirulina and azolla. Similarly, Tetradecanoic acid was found to be present both in spirulina and chlorella. The remaining ten bioactive principle compounds are species specific, such as 9-octadecenal; and Hexadecanoic acid are for spirulina, Dodecanoic acid; 6,7-Dimethoxy-2-tetralone; 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; Phenol, 2-methoxy-5-(1-propenyl)-,(E); Cycloheptane,1,3,5-tris(methylene); 4-(6,6-Dimethyl-2-methylenecyclohex-3-enylidene)pentan-2-ol; and Loliolide are for chlorella, and cis-2-[2-(hydroxymethyl)cyclopentyl]ethanol is for azolla. Thus, these algae are rich in natural organic compounds. Their pharmaceutical and nutraceutical potencies need to be studied. Azolla ; Spirulina (dietary supplement) ; Chlorella ; Chlorella vulgaris ; Phytochemical ; Algae ; Biology ; Botany ; Food science ; Terpenoid ; Chemistry ; Ecology ; Raw material Edible Oils Quality and Analysis ; Biological Control of Invasive Species ; Essential Oils and Antimicrobial Activity
Authors: Rongxuan Zhao | Mingze He | Lun Wang | Ziqi Chen | Xiaomin Cheng | Hao Tong | Xiangshui Miao
Source: Science China Materials (article, 2022-04-15)
Field: Materials Science — Materials Chemistry

Improved multilevel storage capacity in Ge2Sb2Te5-based phase-change memory using a high-aspect-ratio lateral structure Materials science ; Phase-change memory ; Chalcogenide ; Nanowire ; Aspect ratio (aeronautics) ; Amorphous solid ; Optoelectronics ; Computer data storage ; Transmission electron microscopy ; Phase-change material ; Nanotechnology ; Phase change ; Computer science ; Engineering physics ; Computer hardware ; Crystallography Phase-change materials and chalcogenides ; Advanced Memory and Neural Computing ; Transition Metal Oxide Nanomaterials