jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shengjia Li | Honghai Cui | Haihua Wang | Wensheng Wang | Yi Sui | Liangyu Dong | Jiaxing Wang
Source: Polymers (article, 2023-12-14)
Field: Materials Science — Materials Chemistry

Preparation and Performance Investigation of Epoxy Resin-Based Permeable Concrete Containing Ceramsite Permeable concrete is an innovative type of concrete that provides a sustainable solution for stormwater management by allowing water to seep through and be filtered naturally. This study focuses on the preparation and performance investigation of an epoxy resin-based permeable concrete containing ceramsite. In this study, ceramsite, a lightweight aggregate, is used as a substitute for conventional aggregates in the concrete mixture. The epoxy resin is then added to improve the strength and durability of the concrete. A series of tests, including compressive strength, water permeability, and freeze-thaw resistance tests, are conducted to evaluate the performance of the epoxy resin-based permeable concrete. The results show that with an increasing epoxy resin binder-aggregate ratio, the compressive strength of the epoxy resin-based permeable concrete significantly increases while the permeability coefficient decreases. Different types of aggregates have varying effects on the compressive strength and permeability coefficient of epoxy resin-based permeable concrete, with high-strength clay ceramsite providing the highest compressive strength and lightweight ceramsite having the highest permeability coefficient. In addition, the discrete element simulation method effectively and feasibly determines the ultimate load and accurately simulates the compressive strength of the permeable cement-based mixture, consistent with the measured compressive strength. A quadratic polynomial regression analysis yielded an R<sup>2</sup> value of around 0.93, showing a strong relationship between durability and freeze-thaw cycles. The findings contribute to the development of sustainable construction materials for stormwater management and offer potential applications in various infrastructure projects. Epoxy ; Compressive strength ; Materials science ; Durability ; Composite material ; Permeability (electromagnetism) ; Pervious concrete ; Cement ; Aggregate (composite) ; Stormwater management ; Stormwater Magnesium Oxide Properties and Applications ; Innovative concrete reinforcement materials ; Concrete and Cement Materials Research
Authors: Sven Nordebo
Source: Journal of Quantitative Spectroscopy and Radiative Transfer (article, 2023-07-20)
Field: Chemistry — Spectroscopy

A modified projection approach to line mixing This paper presents a simple approach to combine the high-resolution narrowband features of some desired isolated line models together with the far wing behavior of the projection based strong collision (SC) method to line mixing which was introduced by Bulanin, Dokuchaev, Tonkov and Filippov. The method can be viewed in terms of a small diagonal perturbation of the SC relaxation matrix providing the required narrowband accuracy close to the line centers at the same time as the SC line coupling transfer rates are retained and can be optimally scaled to thermalize the radiator after impact. The method can conveniently be placed in the framework of the Boltzmann-Liouville transport equation where a rigorous diagonalization of the line mixing problem requires that molecular phase and velocity changes are assumed to be uncorrelated. A detailed analysis for the general Doppler case is given based on the first order Rosenkranz approximation, and which also provides the possibility to incorporate quadratically speed dependent parameters. Exact solutions for pure pressure broadening and explicit Rosenkranz approximations are given in the case with velocity independent parameters (line frequency, strength, width and shift) which can readily be retrieved from databases such as HITRAN for a large number of species. Numerical examples including comparisons to published measured data are provided in two specific cases concerning the absorption of carbon dioxide in its infrared band of asymmetric stretching, as well as of atmospheric water vapor and oxygen in relevant millimeter bands. HITRAN ; Splitter plate ; Computational physics ; Narrowband ; Mixing (physics) ; Line (geometry) ; Physics ; Boltzmann equation ; Spectral line ; Statistical physics ; Optics ; Mechanics ; Mathematics ; Quantum mechanics Spectroscopy and Laser Applications ; Atmospheric Ozone and Climate ; Atmospheric chemistry and aerosols
Authors: Agatino Zammataro | Cornelia Koy | Manuela Ruß | Claudia Röwer | Michael O. Glocker
Source: Molecules (article, 2023-03-30)
Field: Chemistry — Spectroscopy

Intact Transition Epitope Mapping—Serological Inspection by Epitope EXtraction (ITEM—SIX) Precision medicine requests accurate serological inspections to precisely stratify patients for targeted treatment. Intact transition epitope mapping analysis proved surrogate seroconversion of a model organism's serum when spiked with a monoclonal murine anti-Ovalbumin antibody (mAb) with epitope resolution. Isolation of the IgG fraction from blood serum applied two consecutive protein precipitation steps followed by ultrafiltration and resulted in an ESI-MS analysis-ready IgG preparation. For epitope mapping by epitope extraction, the Ovalbumin antigen was digested with trypsin. After desalting, the peptide mixture was added to the ESI-MS-ready IgG preparation from mAb-spiked serum and the solution was incubated to form an immune complex between the Ovalbumin-derived epitope peptide and the anti-Ovalbumin mAb. Then, the entire mixture of proteins and peptides was directly electrosprayed. Sorting of ions in the mass spectrometer's gas phase, dissociation of the immune complex ions by collision-induced dissociation, and recording of the epitope peptide ion that had been released from the immune complex proved the presence of the anti-Ovalbumin mAb in serum. Mass determination of the complex-released epitope peptide ion with isotope resolution is highly accurate, guaranteeing high specificity of this novel analysis approach, which is termed Intact Transition Epitope Mapping-Serological Inspections by Epitope EXtraction (ITEM-SIX). Epitope ; Ovalbumin ; Chemistry ; Monoclonal antibody ; Linear epitope ; Peptide ; Epitope mapping ; Molecular biology ; Antigen ; Antibody ; Chromatography ; Biology ; Biochemistry ; Immunology Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Protein purification and stability
Authors: Santosh Neupane | Hong Tang | Adrienn Ruzsinszky
Source: Physical Review Materials (article, 2023-12-12)
Field: Materials Science — Materials Chemistry

Defect-induced states, defect-induced phase transition, and excitonic states in bent tungsten disulfide <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mo>(</mml:mo><mml:msub><mml:mtext>WS</mml:mtext><mml:mn>2</mml:mn></mml:msub><mml:mo>)</mml:mo></mml:math> nanoribbons: Density functional vs. many body theory Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have versatile electronic and optical properties. TMD nanoribbons exhibit interesting properties due to reduced dimensionality, quantum confinement, and edge states, which make them suitable for various electronic and optoelectronic applications. In a previous work conducted by our group, we demonstrated that the edge bands evolved with bending can tune the optical properties for various widths of TMD nanoribbons. Defects are commonly present in 2D TMD materials, and can dramatically change the material properties. In this following work, we investigate the interaction between the edge and the defect states in tungsten disulfide $({\mathrm{WS}}_{2})$ nanoribbons with lines of W- or S-atom vacancies defects under different bending conditions, using density functional theory (DFT). To gain understanding about the limits of density functional approximations, we compare results on band gaps and energies of defect states with quasiparticle GW. We reveal interesting semiconductor-metal phase transitions, suggesting potential applications in nanoelectronics or molecular electronics. We also calculate the optical absorption of the bent and defective nanoribbons with the many-body GW-BSE (Bethe-Salpeter equation) approach, revealing a tunable optical spectrum and diverse exciton states in the defective ${\mathrm{WS}}_{2}$ nanoribbons. Materials science ; Exciton ; Density functional theory ; Quasiparticle ; Condensed matter physics ; Semiconductor ; Optoelectronics ; Physics ; Quantum mechanics ; Superconductivity 2D Materials and Applications ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: Pauline Castenetto | Ph. Lambin | Péter Vancsó
Source: Nanomaterials (article, 2023-12-05)
Field: Materials Science — Materials Chemistry

Edge Magnetism in MoS2 Nanoribbons: Insights from a Simple One-Dimensional Model Edge magnetism in zigzag nanoribbons of monolayer MoS2 has been investigated with both density functional theory and a tight-binding plus Hubbard (TB+<i>U</i>) Hamiltonian. Both methods revealed that one band crossing the Fermi level is more strongly influenced by spin polarization than any other bands. This band originates from states localized on the sulfur edge of the nanoribbon. Its dispersion closely resembles that of the energy branch obtained in a linear chain of atoms with first-neighbor interaction. By exploiting this resemblance, a toy model has been designed to study the energetics of different spin configurations of the nanoribbon edge. Zigzag ; Magnetism ; Condensed matter physics ; Density functional theory ; Hamiltonian (control theory) ; Tight binding ; Fermi level ; Hubbard model ; Enhanced Data Rates for GSM Evolution ; Electronic band structure ; Spin polarization ; Monolayer ; Gapless playback ; Physics ; Materials science ; Electronic structure ; Nanotechnology ; Quantum mechanics ; Geometry ; Superconductivity ; Mathematics ; Electron 2D Materials and Applications ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: Muhammet Atasoy
Source: ChemistrySelect (article, 2023-11-02)
Field: Chemistry — Analytical Chemistry

Development of a New and Highly Sensitive Method for Arsenic Determination in Drinking Water Samples Using Au‐Coated W‐Coil Atom Trap Hydride Generation Atomic Absorption Spectrometry Abstract A novel ultra‐sensitive gold‐coated tungsten‐coil atom trap coupled with HGAAS was developed for the first time for the determination of arsenic. The analytical methodology was based on transporting and in‐situ trapping of arsine produced by the hydride generation system onto a gold‐coated W‐coil trap for preconcentration via Ar and H 2 gases. The trap surface was examined using scanning electron microscopy and energy‐dispersive X‐ray spectroscopy. SEM images revealed that the surface is covered with hexagonal and pentagonal structures on a micro scale with gold. The experimental parameters were optimized for both trap and non‐trap method. The enhancement factor for the characteristic concentration (C 0 ) was determined to be 15.3 when compared with the non‐trap methods. For the trapping time of 120 s using the developed method, the limit of detection (LOD) and the precision were determined as 4.8 ng L −1 and 3.6 %, respectively. The interference effects of various hydride‐forming ions were examined in detail. The accuracy of this ultrasensitive methodology was successfully verified by analysis of certified reference materials and some drinking water samples.. t‐test was implemented to the water samples, the added and measured concentrations exhibited no statistically meaningful distinction at the 95 % confidence level. Analytical Chemistry (journal) ; Detection limit ; Hydride ; Atomic absorption spectroscopy ; Arsine ; Certified reference materials ; Tungsten ; Arsenic ; Chemistry ; Mass spectrometry ; Trap (plumbing) ; Atom (system on chip) ; Scanning electron microscope ; Materials science ; Chromatography ; Hydrogen Analytical chemistry methods development ; Electrochemical Analysis and Applications ; Arsenic contamination and mitigation
Authors: Dimitrios Ntemogiannis | Panagiotis Floropoulos | V. Karoutsos | Spyridon Grammatikopoulos | P. Poulopoulos | Dimitris Alexandropoulos
Source: Photonics (article, 2023-03-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasmonic Nanostructuring by Means of Industrial-Friendly Laser Techniques The continuously growing demand for functional plasmonic devices or systems urges the implementation of economical and accelerated nanostructuring techniques. Laser annealing represents a promising approach to address this challenge, given its widespread usage in industry and research, as well as its unique advantages. This study proposes a scalable, rapid, versatile, and cost-efficient method to grow self-assembled nanostructures on metallic ultrathin films and multilayers, with high precision and patterning freedom. By employing industrial-grade equipment, specifically a 1070 nm nanosecond fiber laser and magnetron sputtering system, we directly grew self-assembled nanoparticles on Ag ultrathin films and AgPd multilayers deposited on Corning glass, via laser annealing at ambient conditions. The self-assembled nanoparticles were formed in designated areas by varying several laser parameters and exhibited intense localized surface plasmon resonances. Optical and structural characterization were realized via UV–Vis spectroscopy and atomic force microscopy, respectively. The plasmonic characteristics were found to depend on the initial film thickness and laser annealing parameters. Laser-treated films exhibited remarkable plasmonic behavior, demonstrating that this method does not lack nanostructuring quality while offering scalability and practicality. Further optimization of the laser settings can refine the process and result in an even faster, cheaper, and more qualitative nanostructuring method. Materials science ; Plasmon ; Laser ; Annealing (glass) ; Nanotechnology ; Optoelectronics ; Sputter deposition ; Thin film ; Sputtering ; Optics ; Composite material Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Chang Wang | Yan Sun | Zeqing Yu | Xinyu Liu | Bingliang Chen | Yang Zhang | Zhenrong Zheng
Source: Nanomaterials (article, 2023-09-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dual-Functional Tunable Metasurface for Meta-Axicon with a Variable Depth of Focus and Continuous-Zoom Metalens Optical metasurfaces have been widely investigated for their versatile ability to manipulate wavefront and miniaturize traditional optical components into ultrathin planar devices. The integration of metasurfaces with multifunctionality and tunability has fundamentally transformed optics with unprecedented control over light propagation and manipulation. This study introduces a pioneering framework for the development of tunable metasurfaces with multifunctionality, and an example of a tunable metasurface of dual functionalities is proposed and numerically verified as one of the tunable meta-axicon for generating Bessel beams with a variable depth of focus (DOF) and a continuous-zoom metalens. Specifically, this design achieves dual-functional phase modulation by helicity-multiplexing from the combination of the geometric phase as well as the propagation phase and realizes tunability for both functionalities through rotational actuation between double metasurface layers. As a result, dual functionalities with continuous tunability of the proposed TiO<sub>2</sub> metasurface are enabled independently for the left and right circularly polarized (LCP and RCP) incidences at 532 nm. Specifically, LCP light triggers the metasurface to function as a tunable axicon, generating non-diffracting Bessel beams with variable numerical apertures (NA) and DOFs. Conversely, the RCP incidence induces it to operate as a continuous-zoom metalens and generates variable spherical wavefront focusing on diverse focal lengths. This study not only initially implements the design of tunable meta-axicon, but also achieves the integration of such a tunable meta-axicon and continuous-zoom metalens within a single metasurface configuration. The proposed device could find potential applications in biological imaging, microscopic measurement, laser fabrication, optical manipulation, multi-plane imaging, depth estimation, optical data storage, etc. Axicon ; Optics ; Wavefront ; Zoom ; Bessel function ; Focus (optics) ; Materials science ; Focal length ; Spatial light modulator ; Phase (matter) ; Optoelectronics ; Physics ; Laser ; Lens (geology) ; Laser beams Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Mingfei Li | Kanglin Zhu | Mumin Rao | Zhengpeng Chen | Kai Xiong | Longtong Hou | X.Y. Wang | Chuangting Chen | Shujun Li | Li Xi
Source: Atmosphere (article, 2023-08-08)
Field: Materials Science — Materials Chemistry

Research on Solid Oxide Fuel Cell System Model Building and 3D Testing Based on the Nodal Idea The Solid Oxide Fuel Cell (SOFC) system is a highly intricate system characterized by multiple variables and couplings. Developing an accurate model for the SOFC independent power generation system is of paramount importance. Conducting experimental studies on the SOFC system is costly, and it carries certain risks due to the requirements for pure hydrogen, high-temperature environments, and other factors. To address these challenges, a high-performing model that precisely reflects the inherent characteristics of the SOFC is essential for dynamic static analysis and the identification of optimal operating points. This paper presents a SOFC system model based on current controls, which was implemented in the MATLAB/Simulink environment, and it utilized a nodal approach for modeling. The model incorporated a cold air bypass, which enabled the more precise control of the SOFC reactor’s inlet and outlet temperatures. Furthermore, a 3D test and verification method are proposed in order to focus on the influence of input parameters on the four electrical characteristics, and four thermal characteristics, of output parameters. By conducting one-dimensional, two-dimensional, and three-dimensional studies of these output parameters, a more intuitive understanding of the system’s response to changes in input parameters was obtained. Under conditions wherein all other variables were kept constant, the entire system attained its maximum efficiency at approximately FU = 0.8, BP = 0, and AR = 6. The outcomes of this study have significant implications for exploring the optimal operating point in the SOFC independent power generation system in an in-depth manner. It provides valuable insights for enhancing the system’s efficiency and performance. Solid oxide fuel cell ; MATLAB ; Computer science ; Operating point ; Variable (mathematics) ; Electric power system ; Identification (biology) ; Thermal ; Power (physics) ; Process engineering ; Engineering ; Electronic engineering ; Chemistry ; Mathematics Advancements in Solid Oxide Fuel Cells ; Fuel Cells and Related Materials ; Electrocatalysts for Energy Conversion
Authors: Bassim Arkook | Mingguang Chen
Source: Advanced Photonics Research (article, 2023-11-28)
Field: Materials Science — Polymers and Plastics

Dynamic Performance of Hybrid Infrared Modulator Based on Single‐Walled Carbon Nanotubes and Ionic Liquid Enabling Fast Response Herein, a new type of infrared film using single‐walled carbon nanotubes (SWNTs) is developed. The optimal sonication settings to produce SWNTs with the highest possible absorption of infrared light are discovered. A hybrid infrared modulator that combines SWNTs with ionic liquids, with a very fast response time is also developed. By carefully controlling the size of the SWNT bundles and the pore size of the filter membrane used to deposit the SWNTs, a response time of a few hundred microseconds (635 μs) at the half‐power point is achieved, which is the optical 3‐dB point. This technology has the potential to be used in a variety of innovative applications, such as smart windows and military camouflage, due to its excellent infrared optical properties. Carbon nanotube ; Materials science ; Infrared ; Ionic liquid ; Nanotechnology ; Camouflage ; Absorption (acoustics) ; Optoelectronics ; Response time ; Optics ; Composite material ; Computer science ; Chemistry Transition Metal Oxide Nanomaterials ; Gas Sensing Nanomaterials and Sensors ; Polydiacetylene-based materials and applications
Authors: Lakhi Sharma | A. Roy | Subhasis Panja | Subhadeep De
Source: Atoms (article, 2023-05-12)
Field: Chemistry — Spectroscopy

Stabilizing Frequency of a Diode Laser to a Reference Transition of Molecular Iodine through Modulation Transfer Spectroscopy We report the frequency stabilization of an external cavity diode laser (ECDL) to a reference molecular iodine (I2) transition at 13,531.18 cm−1 (739.03382 nm). Using the Modulation Transfer Spectroscopy (MTS) method for the highly sensitive detection of weak absorption signals, the Doppler-free absorption peaks of I2 corresponding to the hot band transition R(78) (1–11) are resolved. The ECDL’s frequency is stabilized with respect to one of the lines lying within the reference absorption band. For this, the iodine vapor cell is heated to 450 °C and the corresponding circularly polarized pump and probe beam powers are maintained at 10 mW and 1 mW, respectively, to avoid power broadening. The short (100 ms) and long-term (50 h) linewidths of the frequency stabilized laser are measured to be 0.75(3) MHz and 0.5(2) MHz, respectively, whereas the natural linewidth of the specific I2-transitions lie within a range of tens of MHz. Laser linewidth ; Tunable diode laser absorption spectroscopy ; Spectroscopy ; Laser ; Materials science ; Absorption spectroscopy ; Diode ; Absorption (acoustics) ; Analytical Chemistry (journal) ; Atomic physics ; Modulation (music) ; Molecular beam ; Tunable laser ; Optics ; Optoelectronics ; Physics ; Chemistry ; Molecule Spectroscopy and Laser Applications ; Atomic and Subatomic Physics Research ; Advanced Frequency and Time Standards
Authors: A. A. Garcia | Yanina Lucrecia Roht | Georges Gauthier | D. Salin | Germán Drazer | Jean‐Pierre Hulin | I. Ippolito
Source: Physical Review Fluids (article, 2023-03-10)
Field: Materials Science — Materials Chemistry

Unstable oscillatory flow of non-Brownian suspensions in Hele-Shaw cells The behavior of neutrally buoyant, non-Brownian suspensions subject to square-wave flow oscillations in Hele-Shaw cells is investigated experimentally. The velocity field across the cell gap is determined by tracking particles in a plane parallel to the main flow. The suspension develops an instability characterized by the growth of a transverse velocity component that is periodic along the main flow direction and in time. No influence of inertia on the development of the instability was observed. The characteristic onset time varies as the inverse of the oscillation amplitude with particle volume fraction dependence similar to that of the shear-induced diffusivity across the cell aperture. Hele-Shaw flow ; Instability ; Brownian motion ; Mechanics ; Physics ; Oscillation (cell signaling) ; Shear flow ; Flow (mathematics) ; Suspension (topology) ; Inertia ; Amplitude ; Classical mechanics ; Open-channel flow ; Chemistry ; Optics ; Mathematics Material Dynamics and Properties ; Lattice Boltzmann Simulation Studies ; Nanofluid Flow and Heat Transfer