jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hui Shao
Source: theses.fr (ABES) (preprint, 2020-11-03)
Field: Materials Science — Materials Chemistry

2D Ti3C2Tx MXenes for electrochemical energy storage Cette thèse vise à comprendre et étudier la cinétique électrochimique et les mécanismes de stockage de charge de l'électrode Ti3C2Tx MXene dans les systèmes aqueux, et à augmenter davantage les performances électrochimiques du Ti3C2Tx MXene dans les systèmes non aqueux. Dans la première partie de cette thèse, les comportements électrochimiques des électrodes pseudocapacitives Ti3C2Tx MXene ont été analysés dans des électrolytes aqueux par une technique de chronoampérométrie à étapes potentielles multiples (MUSCA). Le MUSCA permet de reconstruire des voltammogrammes cycliques avec une contribution de la chute ohmique considérablement plus faible, ce qui permet de déconvoluer avec précision les réponses en courant du voltammogramme partagées entre les processus de surface et ceux se déroulant dans le cœur des électrodes à tout potentiel donné, en particulier à des vitesses de balayage élevées. Une analyse cinétique électrochimique de l'électrode Ti3C2Tx utilisant les voltammogrammes calculés grâce au MUSCA a montré que le processus de surface domine à une vitesse de balayage plus élevée tandis que le processus au cœur prend le relais à la vitesse de balayage faible dans les électrolytes acides et alcalins. Par la suite, les mécanismes de stockage des charges des électrodes Ti3C2Tx dans l'électrolyte acide ont été étudiés en combinant des approches expérimentales et de simulation. Il a été démontré que la présence de molécules de H2O entre les couches de MXene joue un rôle critique dans le comportement pseudocapacitif, fournissant une voie de transport de protons pour activer la réaction redox des atomes de Ti. Dans la deuxième partie de la thèse, une gravure des phases MAX dans des acides fondus de Lewis est proposée et validée par la synthèse de divers MXènes à partir des précurseurs de phase MAX non conventionnels avec des éléments A tels que Si, Zn et Ga. Le matériau Ti3C2Tx MXene obtenu par cette méthode de synthèse de sel fondu peut fournir une capacité de stockage allant jusqu'à 738 C g^-1 (205 mAh g^-1) avec des performances à haute vitesse de balayage et une signature électrochimique pseudo-capacitive dans l'électrolyte à base de carbonate LiPF6 1M. Ce matériau offre des opportunités en tant qu'électrode négative dans les dispositifs de stockage d'énergie électrochimique. MXenes ; Electrochemical energy storage ; Energy storage ; Energy (signal processing) ; Environmental science ; Electrochemistry ; Materials science ; Supercapacitor ; Nanotechnology ; Chemistry ; Physics MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; Advanced Photocatalysis Techniques
Authors: Jonathan B. Lefton | Kyle B Pekar | Uroob Haris | Mary E. Zick | Phillip J. Milner | Alexander R. Lippert | Ljupčo Pejov | Tomče Runčevski
Source: ChemRxiv (preprint, 2020-11-02)
Field: Chemistry — Inorganic Chemistry

Defects Formation and Amorphization of Zn-MOF-74 Crystals by Post-Synthetic Interactions with Bidentate Adsorbates The controlled introduction of defects into MOFs is a powerful strategy to induce new physiochemical properties and improve their performance for target applications. Herein, we present a new strategy for defect formation and amorphization. Materials science ; Nanotechnology ; Crystallography ; Chemical physics ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; ZnO doping and properties
Authors: Yi Jie Tan | Aung Khant Phyo | Lu Heng Chen | Weimin Huang
Source: Inventions (article, 2020-12-14)
Field: Materials Science — Polymers and Plastics

Shear-Thickening Composites for On-Demand Rebound Performance and Softness For footwear insoles, high rebound performance is required in some instances such as for running, while softness for comfort is of higher importance during normal walking and standing to minimize high stress. Hence, materials with rebound performance in some scenarios and softness for other scenarios are desired. In this paper, we investigate rebound performance and hardness of composites made of a shear-thickening material and elastic foam. First, a hydrogel type of shear-thickening material (Slime) is characterized to investigate the influence of water content. After that, two particular shear-thickening hydrogels with better rebound performance (but not outstanding in the shear-thickening effect) are selected and integrated into the elastic foam to produce a composite insole. It is found that, as compared with the commercial elastic insole and commercial shear-thickening insole, softer and superior rebound performance can be achieved simultaneously only if the right shear-thickening material is used in the composite. Materials science ; Composite material ; Dilatant ; Composite number ; Thickening ; Shear (geology) ; Shear stress ; Thickening agent Polymer crystallization and properties ; Vehicle Dynamics and Control Systems ; Textile materials and evaluations
Authors: Bence Hajdusits | Marcin J. Suskiewicz | Nikolas Hundt | Anton Meinhart | R Kurzbauer | Julia Leodolter | Philipp Kukura | Tim Clausen
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2020-09-08)
Field: Materials Science — Materials Chemistry

McsB forms a gated kinase chamber to mark aberrant bacterial proteins for degradation Abstract In Gram-positive bacteria, the McsB protein arginine kinase is central to protein quality control, labelling aberrant molecules for degradation by the ClpCP protease. Despite its importance for stress response and pathogenicity, it is still elusive how the bacterial degradation labelling is regulated. Here, we delineate the mechanism how McsB targets aberrant proteins during stress conditions. Structural data reveal a self-compartmentalized kinase, in which the active sites are sequestered in a molecular cage. The “closed” octamer interconverts with other oligomers in a phosphorylation-dependent manner and, contrary to these “open” forms, preferentially labels unfolded proteins. In vivo data show that heat-shock triggers accumulation of higher-order oligomers, of which the octameric McsB is essential for surviving stress situations. The interconversion of open and closed oligomers represents a distinct regulatory mechanism of a degradation labeler, allowing the McsB kinase to adapt its potentially dangerous enzyme function to the needs of the bacterial cell. Phosphorylation ; Kinase ; Cell biology ; Protein kinase A ; Heat shock protein ; Protease ; Function (biology) ; Biochemistry ; Biology ; Chemistry ; Enzyme Enzyme Structure and Function ; Protein Structure and Dynamics ; Bacterial Genetics and Biotechnology
Authors: Sena Cimilli Duru | H Acikgoz Tufan | Umut Kıvanç Şahin
Source: TEKSTİL VE KONFEKSİYON (article, 2020-05-25)
Field: Materials Science — Polymers and Plastics

ASSESSING COLOR DIFFERENCES OF COTTON FABRICS MADE FROM DIFFERENT YARNS AFTER ABRASION It is expected from a fabric applied with durable softener agent, not only a smooth, slippery and soft touch but also durable color even after a number of cycles of use and care. From this point of view, at this study weft knitted fabrics were manufactured using Siro, ring and open-end cotton yarns, bleached and dyed, followed by softening treatment with silicone, cationic and nonionic softeners at 1 and 3% softener concentration levels. Color strength and lightness values of the treated fabrics were evaluated by considering color changes after abrasion. Since the loss of fibers from a fabric surface during abrasion cycles causes prominent changes in the fabric’s color, differentiation in the color that occur after a certain number of abrasion cycles (2500, 5000, 7500, 10000) were also measured for evaluation of the abrasion resistance of a fabric. Considering the yarn type and number of abrasion cycles, interaction effects of those with softener type and softener concentration on color strength and lightness were presented and discussed separately. From the results, it was observed that the color values of fabrics after abrasion cycles are closely related to yarn type, softener type, and concentration. The most significant changes in both L* and K/S values were obtained after fabric were abraded 2500 cycles. Softener type, as well as concentration, should be decided according to the target color shade prior to coloration. Lightness ; Abrasion (mechanical) ; Composite material ; Materials science ; Yarn ; Color difference ; Wool ; Softening ; Dyeing ; Mathematics ; Engineering ; Optics Textile materials and evaluations ; Dyeing and Modifying Textile Fibers ; Skin Protection and Aging
Authors: Chi-Feng Chen | Chih-Hsiung Shen | Yun-Ying Yeh
Source: Sensors (article, 2020-12-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A Thermopile Device with Sub-Wavelength Hole Arrays by CMOS-MEMS Technology A thermopile device with sub-wavelength hole array (SHA) is numerically and experimentally investigated. The infrared absorbance (IRA) effect of SHAs in active area of the thermopile device is clearly analyzed by the finite-difference time-domain (FDTD) method. The prototypes are manufactured by the 0.35 μm 2P4M complementary metal-oxide-semiconductor micro-electro-mechanical-systems (CMOS-MEMS) process in Taiwan semiconductor manufacturing company (TSMC). The measurement results of those prototypes are similar to their simulation results. Based on the simulation technology, more sub-wavelength hole structural effects for IRA of such thermopile device are discussed. It is found from simulation results that the results of SHAs arranged in a hexagonal shape are significantly better than the results of SHAs arranged in a square and the infrared absorption efficiencies (IAEs) of specific asymmetric rectangle and elliptical hole structure arrays are higher than the relatively symmetric square and circular hole structure arrays. The overall best results are respectively up to 3.532 and 3.573 times higher than that without sub-wavelength structure at the target temperature of 60 °C when the minimum structure line width limit of the process is ignored. Obviously, the IRA can be enhanced when the SHAs are considered in active area of the thermopile device and the structural optimization of the SHAs is absolutely necessary. Thermopile ; Wavelength ; Microelectromechanical systems ; CMOS ; Finite-difference time-domain method ; Optics ; Optoelectronics ; Materials science ; Physics ; Infrared Metamaterials and Metasurfaces Applications ; Thermal Radiation and Cooling Technologies ; Plasmonic and Surface Plasmon Research
Authors: Seidu S. Ojo | Adama Sumaila | Adetunji Onigbajumo
Source: Journal of Minerals and Materials Characterization and Engineering (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

Effect of Cu-Ni and Cu-Ni-Mn on the Microstructural and Mechanical Behaviour of As-Cast Non-Inoculated Hypereutectic Grey Iron The hypereutectic region of grey cast iron has received very little attention especially for designing cast products by researchers. Due to its high carbon equivalence, hypereutectic grey iron poses some challenges especially its tendency for grey to white transition (GWT) at this level of carbon content. However, hypereutectic grey iron possesses inherent properties that could be easily utilized for improved performance in automobile engines and brake pad system. Significantly, they could be modified for superior hardness, strength and toughness. This study presents the effect of microalloying on the mechanical behaviour of hypereutectic grey cast iron with carbon equivalence above 4.5. The first part of this work presented in this paper considers the addition of Cu-Ni and Cu-Ni-Mn to series of as-cast hypereutectic grey cast iron and their hardness and tensile strength were studied and compared. A total of 33 cast samples were obtained with the control sample. The examination of the micrographs revealed that graphite eutectics cells of Type A and A + D were obtained in the resulting microstructure. Results analyses showed that the ferrite forming tendency of silicon was suppressed due to the high carbon content of the as-cast hypereutectic grey iron coupled with the absence of inoculation which plays a great role in the graphite flake type, network, size and distribution. Cu-Ni microalloying was also confirmed to promote hardness with the hardening effect limit of nickel observed at 1.3% composition. For Cu-Mi-Mn addition, excess and free sulphur in the hyper- eutectic grey iron results in reverse effect of manganese on strength, hardness, reduced graphite flake size and shape. Cast iron ; Materials science ; Metallurgy ; Eutectic system ; Graphite ; Microstructure ; Ultimate tensile strength ; Toughness ; Ferrite (magnet) ; Nickel ; Austenite ; Carbon fibers ; Composite material ; Composite number Metal Alloys Wear and Properties ; Microstructure and Mechanical Properties of Steels ; Metallurgy and Material Science
Authors: J.M. Rodríguez-Ibabe | Houxin Wang | Douglas Glenn Stahlheim | Ronaldo Barbosa
Source: Tecnologia em Metalurgia Materiais e Mineração (article, 2020-01-01)
Field: Materials Science — General Materials Science

STRATEGY FOR COST-EFFECTIVE ALLOY DESIGN OPTIMIZATION FOR STRENGTH AND DUCTILITY PROPERTIES OF STRUCTURAL STEELS Alloy, labor, and energy made up for major costs in the production of flat and long commodity-grade structural steel products. Flat and long commodity-grade structural steels such as ASTM A36, ASTM A527Gr50, S235, S275, S355, and other equivalent world societal standards represent over 500 million annual tons worldwide. Carbon, manganese, and silicon constitute the minimum base of alloying elements for the commodity structural steels. This base can be then supplemented with microalloying elements of either vanadium or niobium. Since 2016 raw material costs for two of the five alloying elements in these commodity-grade structural steels, FeMn and FeV, have risen significantly and/or have become volatile. This is making difficult to maintain stability in profitability. For steel plants producing hundreds of thousands and in some cases over a million tons annually of these common structural steel grades, because of the significant alloy cost increase for Mn and V, alloy additions have squeezed profitability. Commodity-grades usually represent the base loading for cost controls in most steel plants. Hence a significant cost increase or volatility in two of the five elements used for these grades will have a negative effect on overall production costs. However, with a proper strategy for alloy design working in conjunction with the mills' existing processing capabilities to achieve the desired end metallurgy/mechanical properties, alloy costs and operational efficiencies can be realized. Ductility (Earth science) ; Alloy ; Materials science ; Structural engineering ; Metallurgy ; Engineering ; Creep Material Properties and Applications ; Engineering Diagnostics and Reliability ; Manufacturing Process and Optimization
Authors: Simon Čopar | Anže Božič
Source: Physical Review Research (article, 2020-11-06)
Field: Materials Science — Materials Chemistry

Symmetry breaking of dipole orientations on Caspar-Klug lattices Anisotropic dipole-dipole interaction often plays a key role in biological, soft, and complex matter. For it to induce nontrivial order in the system, there must be additional repulsive interactions or external potentials involved that partially or completely fix the positions of the dipoles. These positions can often be represented as an underlying lattice on which dipole interaction induces orientational ordering of the particles. On lattices in the Euclidean plane, dipoles have been found to assume different ground-state configurations depending on the lattice type, with a global ordering in the form of a macrovortex being observed in many cases. A similar macrovortex configuration of dipoles has recently been shown to be the sole ground state for dipoles positioned on spherical lattices based on solutions of the Thomson problem. At the same time, no symmetric configurations have been observed, even though the positional order of Thomson lattices exhibits a high degree of symmetry. Here, we show that a different choice of spherical lattices based on Caspar-Klug construction leads to ground states of dipoles with various degrees of symmetry, including the icosahedral symmetry of the underlying lattice. We analyze the stability of the highly symmetric metastable states, their symmetry breaking into subsymmetries of the icosahedral symmetry group, and present a phase diagram of symmetries with respect to lattice parameters. The observed relationship between positional order and dipole-induced symmetry breaking hints at ways of fine-tuning the structure of spherical assemblies and their design. Icosahedral symmetry ; Lattice (music) ; Dipole ; Symmetry breaking ; Metastability ; Phase diagram ; Rotational symmetry ; Homogeneous space ; Translational symmetry Quasicrystal Structures and Properties ; Material Dynamics and Properties ; Nonlinear Photonic Systems
Authors: Lennart Schnirch | Michal Nadler-Holly | Siang-Wun Siao | Christian K. Frese | Rosa Viner | Fan Liu
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2020-04-23)
Field: Chemistry — Spectroscopy

Expanding the depth and sensitivity of cross-link identification by differential ion mobility using FAIMS Abstract In cross-linking mass spectrometry, the depth and sensitivity is often limited by the low abundance of cross-links compared to non-cross-linked peptides in the digestion mixture. To improve the identification efficiency of low abundant cross-links, here we present a gas-phase separation strategy using high field asymmetric waveform ion mobility spectrometry (FAIMS) coupled to the Orbitrap Tribrid mass spectrometers. By enabling an additional peptide separation step in gas phase using the FAIMS device, we increase the number of cross-link identification by 23% for a medium complex sample and 56% for strong cation exchange-fractionated HEK293 cell lysate. Furthermore, we show that for medium complex samples, FAIMS enables the collection of single-shot cross-linking data with comparable depth to the corresponding sample fractionated by chromatography-based approaches. Altogether, we demonstrate FAIMS is highly beneficial for XL-MS studies by expanding the proteome coverage of cross-links while improving the efficiency and confidence of cross-link identification. Ion-mobility spectrometry ; Mass spectrometry ; Chemistry ; Orbitrap ; Chromatography ; Proteome ; Analytical Chemistry (journal) ; Ion ; Cross-link ; Polymer ; Biochemistry Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Michael Brandner | Armin Paar | S. Mul
Source: Tecnologia em Metalurgia Materiais e Mineração (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

NEW ALLOYING CONCEPT FOR FINISHING MILL ROLLS INCLUDING RESULTS IN APPLICATION AND SURFACE TESTS ESW's brand VANIMO can be considered as the latest development in Graphitic HSS roll grades for the last finishing stands in hot strip mills. These grades are based on the alloying concept of carbide enhancement of Indefinite Chill work roll materials. The amount and types of carbide forming elements are varied and adjusted according to the experience of cast HSS roll grades. The microstructure of these roll grades therefore consists of tempered martensite, cementite and several different carbide types as well as a well-defined amount of free graphite. The main goal of graphitic HSS roll grades is the combination of the high surface quality of ICDP alloys as well as the high wear resistance of HSS roll grades. Systematic steps were tested to increase the wear performance from earlier made Carbide-Enhanced ICDP grades to the more advanced VANIC grade and ended now in the highest alloyed roll grade VANIMO. In every trial, the surface quality of the roll and the strip was carefully monitored. The investment in new testing equipment at ESW's plant was decided to get more information about microstructural effects of different alloys in a macroscopic dimension. Samples taken from cast rolls and investigation is done in comparably small areas in relation to the total surface of a roll. Strip rolling is and surface quality of the strip is in strong relation to the barrel surface quality. Effects of alloy and microstructure can appear anywhere on the barrel surface. To get a better understanding and knowledge about alloying trials in relation to surface quality, we decided to install the last version of LRI (Lismar Roll Inspection). LRI is the latest technology of Eddy Current with a higher resolution compared to existing systems. Depending on matrix and free graphite and the balancing formation of carbide precipitations and carbide network the EC test can detect smallest differences. Different results of EC and UT surface wave inspection give the possibility to analysis and discussion. Rolls applied in the mill have given different results in respect of surface quality. A few examples of surface effects will be discussed and improvement strategies explained. Carbide ; Cementite ; Metallurgy ; Microstructure ; Materials science ; Alloy ; Martensite ; Hardness ; Ledeburite ; Austenite Metal Alloys Wear and Properties ; Microstructure and Mechanical Properties of Steels ; Mechanical stress and fatigue analysis
Authors: Hiroshi Seki | Mitsutaka Imamura | Hiroshi Nagase
Source: Nuclear Science (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

Evaluating Precise Quantity of Decommissioning Waste by Cutting Virtual 3D Models of Large Equipment Equipment and piping components contaminated by radioactive materials and/or containing low-level irradiated waste must be cut, segmented, and packed into waste containers. Workers need to avoid overexposure to radiation in dismantling environments, and the number of waste containers for the pieces of equipment and piping components needs to be minimized. Thus, we developed an automatic planning method for virtually cutting 3D equipment with limitations on container size, radioactivity, weight, and dose rate. Cutting sequence data was used to formulate different cutting-work procedures, generate cut objects, and calculate the exposure during disassembling work. By calculating the required cutting length and dose-rate distribution in working environments for various cutting sequences of large equipment, the developed system is expected to aid in the planning of decommissioning. To utilize systems engineering in conjunction with elemental technologies, the following problems need to be solved; both weight and volume of the waste need to be controlled so that radioactive waste for decommissioning nuclear power plants is traceable. Identifying segmented equipment from a 3D model is key to calculating the number of volumetric segmented fragments and required number of containers. To evaluate exposure and amount of waste, we developed an automatic planning method for virtually cutting 3D equipment objects given constraints. Cutting sequence data was used to formulate different cutting workflows, generate cut objects, and calculate the exposure dose from disassembling work. Nuclear decommissioning ; Piping ; Container (type theory) ; Work (physics) ; Radioactive waste ; Engineering ; Workflow ; Computer science ; Waste management ; Mechanical engineering ; Database Graphite, nuclear technology, radiation studies ; Nuclear and radioactivity studies ; Marine and Offshore Engineering Studies