jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Younes Gholamzadeh | Abdolhossein Hemmati‐Sarapardeh | Mohammad Sharifi
Source: Research Square (preprint, 2024-09-26)
Field: Materials Science — Materials Chemistry

Nitrogen-Doped Graphene Quantum Dots for Enhanced Oil Recovery: The Effects of Precursor Type, Molar Ratio, and Synthesis Duration on Interfacial Tension Reduction Molar ratio ; Graphene ; Doping ; Surface tension ; Quantum dot ; Materials science ; Molar ; Reduction (mathematics) ; Tension (geology) ; Nanotechnology ; Chemical engineering ; Composite material ; Optoelectronics ; Chemistry ; Catalysis ; Organic chemistry ; Physics ; Mathematics ; Thermodynamics ; Geometry ; Orthodontics ; Compression (physics) Carbon and Quantum Dots Applications ; Graphene research and applications ; ZnO doping and properties
Authors: Huihui Ji | Siqi Wang | Guowei Zhou | Xuanchi Zhou | Jiarui Dou | Penghua Kang | Jingsheng Chen | Xiaohong Xu
Source: Physical Chemistry Chemical Physics (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Highly efficient and fast modulation of magnetic coupling interaction in the SrCoO<sub>2.5</sub>/La<sub>0.7</sub>Ca<sub>0.3</sub>MnO<sub>3</sub> heterostructure Effective manipulation of magnetic properties in transition-metal oxides is one of the crucial issues for the application of materials. Up to now, most investigations have focused on electrolyte-based ionic control, which is limited by the slow speed. In this work, the interfacial coupling of the SrCoO<sub>2.5</sub>/La<sub>0.7</sub>Ca<sub>0.3</sub>MnO<sub>3</sub> (LCMO) bilayer is effectively modulated with fast response time. After being treated with diluted acetic acid, the bilayer changes from antiferromagnetic/ferromagnetic (AFM/FM) coupling to FM/FM coupling and the Curie temperature is also effectively increased. Meanwhile, the corresponding electric transport properties are modulated within a very short time. Combined with the structure characterization and X-ray absorption measurements, we find that the top SrCoO<sub>2.5</sub> layer is changed from the antiferromagnetic insulator to the ferromagnetic metal phase, which is attributed to the formation of the active oxygen species due to the reaction between the protons in the acid and the SrCoO<sub>2.5</sub> layer. The bottom LCMO layer remains unchanged during this process. The response time of the bilayer with the acid treatment method is more than an order of magnitude faster than other methods. It is expected that this acid treatment method may open more possibilities for manipulating the magnetic and electric properties in oxide-based devices. Heterojunction ; Modulation (music) ; Coupling (piping) ; Condensed matter physics ; Materials science ; Physics ; Engineering physics ; Metallurgy ; Acoustics Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics ; Electronic and Structural Properties of Oxides
Authors: Yingjie Ma | Jianwei Gu
Source: Processes (article, 2024-12-14)
Field: Materials Science — Materials Chemistry

Study on CO2 Corrosion Behavior of Underground Gas Storage Pipe Columns and Establishment of Corrosion Inhibition System Herein, we take an underground natural gas storage in the Ordos Basin as an example to explore the influence of temperature, CO2 flow rate, CO2 partial pressure, and chloride ion concentration on the corrosion rate of N80 and P110 steels in CaCl2 brine type. Meanwhile, in order to reduce the amount of chemical corrosion inhibitors and improve performance, a novel corrosion inhibitor with a quinoline quaternary ammonium structure named YS-QB was synthesized from 1-methyl-1,2,3,4-tetrahydroisoquinoline, epichlorohydrin, and oleic acid amide propyl dimethylamine. Under normal and high-pressure environments, YS-QB exhibits a superior corrosion inhibition effect to the market product of CX-1. In order to further reduce the amount of corrosion inhibitor and improve the corrosion inhibition effect, orthogonal experiments were conducted to optimize the formula system, and the optimal composite system was finally obtained by forming YS-QB, propargyl alcohol, hexamethylenetetramine, and isopropanol in a mass ratio of 12:1:1:2. At 80 °C, a dosage of 30 mg/L can suppress the CO2 corrosion rate below 0.076 mm/a, while a dosage of 60 mg/L can suppress the CO2 corrosion rate below 0.076 mm/a at a high-pressure environment of 120 °C. Combining weightlessness and electrochemical experiments, it is found that the composite corrosion inhibitor performs best when the dosage reached 100 mg/L, and a further increase in the dosage weakens the corrosion inhibition capacity. Based on the polarization curve changes with the dosage of the composite corrosion inhibitor, it can be determined that the final obtained composite corrosion inhibitor system was a cathodic corrosion inhibitor. Corrosion ; Corrosion inhibitor ; Propargyl alcohol ; Brine ; Materials science ; Polarization (electrochemistry) ; Epichlorohydrin ; Chemistry ; Chemical engineering ; Metallurgy ; Composite material ; Organic chemistry ; Catalysis Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Petroleum Processing and Analysis
Authors: Christos G. Tsinos | Alexandros–Apostolos A. Boulogeorgos | Theodoros A. Tsiftsis
Source:  (preprint, 2024-01-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

NeuroRIS: Neuromorphic-Inspired Metasurfaces Reconfigurable intelligent surfaces (RISs) operate similarly to electromagnetic (EM) mirrors and remarkably go beyond Snell law to generate an applicable EM environment allowing for flexible adaptation and fostering sustainability in terms of economic deployment and energy efficiency. However, the conventional RIS is controlled through high-latency field programmable gate array or micro-controller circuits usually implementing artificial neural networks (ANNs) for tuning the RIS phase array that have also very high energy requirements. Most importantly, conventional RIS are unable to function under realistic scenarios i.e, high-mobility/low-end user equipment (UE). In this paper, we benefit from the advanced computing power of neuromorphic processors and design a new type of RIS named NeuroRIS, to supporting high mobility UEs through real time adaptation to the ever-changing wireless channel conditions. To this end, the neuromorphic processing unit tunes all the RIS metaelements in the orders of ns for particular switching circuits e.g., varactors while exhibiting significantly low energy requirements since it is based on event-driven processing through spiking neural networks for accurate and efficient phase-shift vector design. Numerical results show that the NeuroRIS achieves very close rate performance to a conventional RIS-based on ANNs, while requiring significantly reduced energy consumption with the latter. Neuromorphic engineering ; Computer science ; Artificial intelligence ; Artificial neural network Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Micro and Nano Robotics
Authors: Anis Artiyani | Warsito Warsito | Muhammad Sasmito Djati | Nur Hidayat
Source: Transactions of the Chinese Society of Agricultural Machinery (article, 2024-01-01)
Field: Materials Science — General Materials Science

Effect of Chemical Activator Concentration on the Quality of Activated Carbon from Polypropylene Plastic Plastic is versatile, durable, and adaptable. Handling plastic waste, which is currently being researched and developed extensively, is converting it into active carbon. This research aims to determine the effect of the chemical activator concentration on the quality of activated carbon from polypropylene (PP) plastic. The conversion of PP plastic into functional carbon materials is a promising and economical paradigm. The carbonation method was chosen. The instrumentation employed in this investigation comprised an analytical balance, scissors, furnace, 100-mesh sieve, oven, desiccator, centrifuge tube, Erlenmeyer flask, buret, volumetric pipettes (10, 20, and 50 ml), 1000-ml volumetric flask, weighing bottle, and SEM (scanning electron microscopy) apparatus. The main material used in this research is PP (polypropylene) plastic waste. The chemicals used were distilled water, KOH, and K2CO3 (1, 2, 3, and 4 M), 1-M HCL, 0.1-N iodine solution, 0.1-N sodium thiosulfate (NA2S2O3) solution, and 1% starch indicator. The quality assessment was conducted by evaluating the water content and iodine absorption. Then, for the chemical activator, KOH and K2CO3 were used at concentrations of 1, 2, 3, and 4 M, respectively. The feasibility test for activated carbon consists of an I2 absorption test and a water content test. PP plastic waste can be used as an adsorbent in the form of activated carbon. The iodine test and water content absorbed from each activated carbon sample activated using KOH and K2CO3 chemical activators at concentrations of 1, 2, 3, and 4 M met the SNI 06-3730-1995 quality standards regarding activated carbon quality requirements, i.e., the minimum absorbed iodine was 700 mg/g. The activator with the highest concentration, specifically 4 M, yielded the greatest iodine absorption results, with values of 922.76 mg/g for KOH and 901.51 mg/g for K2CO3, respectively. Regarding water content, the results indicated that the highest concentration of activator corresponded to the lowest water content, namely 6% for 4-M KOH and 10% for 4-M K2CO3. This result shows that the greater the activator concentration, the greater the iodine absorption capacity, and the greater the activator concentration, the lower the water content. Polypropylene ; Activated carbon ; Carbon fibers ; Activator (genetics) ; Materials science ; Chemical engineering ; Chemistry ; Waste management ; Pulp and paper industry ; Composite material ; Adsorption ; Organic chemistry ; Engineering ; Biochemistry Material Properties and Applications
Authors: Noreddine Kachkachi | Axel Gansmüller | Hassan Rabah
Source: IEEE Transactions on Instrumentation and Measurement (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Design and Experimental Validation of a SoC-FPGA-Based Compact NQR Spectrometer Nuclear quadrupolar resonance (NQR) is a radio frequency (RF) spectroscopy technique providing high-resolution molecular analysis of solid materials containing quadrupolar atomic nuclei. The NQR technique does not necessitate an external magnetic field and, therefore, permits a large number of applications; it nevertheless suffers from relatively low sensitivity. The challenges of NQR instrumentation are therefore to increase its portability and sensitivity, and to limit interference from various noise sources (e.g., RF interference) in order to perform field applications outside the laboratory. To address these challenges, we present a system-on-chip field-programmable gate array (SoC-FPGA) based portable spectrometer integrating the major hardware elements of NQR instrumentation. These include: a high pulsewidth resolution pulse programmer, a fully controllable pulse transmitter, an acquisition module that performs detection, digital signal processing, and storage of the acquired signal in an external memory, in addition to a hardware debugger. Pulser and acquisition Linux applications are embedded on the SoC-FPGA. While many recent compact spectrometers still have crucial RF parts in the analog domain and lack performance optimization, most of our hardware and software modules are digitally implemented on SoC-FPGA. The designed portable spectrometer was successfully tested by detecting the expected frequencies of several samples such as sodium nitrite (NaNO<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub>), hexamethylenetetramine (HMT) or 1,3,5-trichlorobenzene (1,3,5-TCB) covering hence the typical <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$^{14}\text {N}$ </tex-math></inline-formula> and <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$^{35}\text {Cl}$ </tex-math></inline-formula> NQR frequency ranges. Field-programmable gate array ; Spectrometer ; Computer science ; System on a chip ; Electronic engineering ; Embedded system ; Physics ; Engineering ; Optics Solid-state spectroscopy and crystallography ; Advanced NMR Techniques and Applications ; Spectroscopy and Chemometric Analyses
Authors: Yuwei Geng | Olena Burkovska | Lili Ju | Guannan Zhang | Max Gunzburger
Source: arXiv (Cornell University) (preprint, 2024-10-11)
Field: Materials Science — Materials Chemistry

An End-to-End Deep Learning Method for Solving Nonlocal Allen-Cahn and Cahn-Hilliard Phase-Field Models We propose an efficient end-to-end deep learning method for solving nonlocal Allen-Cahn (AC) and Cahn-Hilliard (CH) phase-field models. One motivation for this effort emanates from the fact that discretized partial differential equation-based AC or CH phase-field models result in diffuse interfaces between phases, with the only recourse for remediation is to severely refine the spatial grids in the vicinity of the true moving sharp interface whose width is determined by a grid-independent parameter that is substantially larger than the local grid size. In this work, we introduce non-mass conserving nonlocal AC or CH phase-field models with regular, logarithmic, or obstacle double-well potentials. Because of non-locality, some of these models feature totally sharp interfaces separating phases. The discretization of such models can lead to a transition between phases whose width is only a single grid cell wide. Another motivation is to use deep learning approaches to ameliorate the otherwise high cost of solving discretized nonlocal phase-field models. To this end, loss functions of the customized neural networks are defined using the residual of the fully discrete approximations of the AC or CH models, which results from applying a Fourier collocation method and a temporal semi-implicit approximation. To address the long-range interactions in the models, we tailor the architecture of the neural network by incorporating a nonlocal kernel as an input channel to the neural network model. We then provide the results of extensive computational experiments to illustrate the accuracy, structure-preserving properties, predictive capabilities, and cost reductions of the proposed method. Allen–Cahn equation ; Cahn–Hilliard equation ; Field (mathematics) ; Phase (matter) ; Physics ; Mathematics ; Mathematical physics ; Mathematical analysis ; Pure mathematics ; Quantum mechanics Solidification and crystal growth phenomena ; Advanced Mathematical Modeling in Engineering
Authors: Haomin Li | Q. G. Zhang | Lei Li | Yingsan Geng | Jianhua Wang
Source: AIP Advances (article, 2024-04-01)
Field: Materials Science — Materials Chemistry

Thermal-flow characteristics analysis of a novel resilient capacity ceramic insulated winding dry type transformer With the increasing demand for the resilient capacity of transformers in high-proportion renewable energy grids, the overload capacity of transformers and the thermal conductivity of winding insulation materials have been put forward as important requirements. In response to these requirements, a novel ceramic high temperature tolerance insulation winding is proposed in this paper and is applied in a ceramic insulated winding transformer. A combination of simulation and experimentation is used to analyze the thermal-flow characteristics of this transformer. The temperature and flow field distribution characteristics of transformers with both winding insulation methods (ceramic and Nomex paper) are compared. The internal mechanism of reflux near the iron core and high voltage winding under forced air cooling is clarified. A superior outside cooling condition is obtained. A prototype ceramic insulated winding transformer is developed and tested to verify the accuracy of the simulation model. The results show that the hotspot temperature of the ceramic insulated winding transformer under natural cooling is 10.7% lower than that of the Nomex paper insulated winding transformer. With forced air cooling of 2, 3, 4, 5, and 6 m/s applied at the bottom, the hotspot temperature of the ceramic insulated winding transformer is 11.4%, 10.5%, 9.7%, 14.0%, and 17.8% lower than that of the Nomex paper insulation winding transformer, respectively. Under forced air cooling, a reflux phenomenon is observed in both transformers in the vicinity of the iron core and high voltage winding due to the formation of adverse pressure gradient region and wall viscous force blocking. The strength of the reflux is affected by the magnitude of the forced air cooling flow velocity and the construction of the transformer. The optimal range of the external cooling flow velocity for the ceramic insulated winding transformer is 3–4 m/s. The errors between the simulated temperature and the measured temperature at the nine monitoring points of the prototype are all less than 5%, which verifies the effectiveness of the simulation model. The experimental and theoretical basis for the design and application of resilient capacity dry type transformers is provided by this research. Materials science ; Transformer ; Ceramic ; Thermal ; Composite material ; Electrical engineering ; Nuclear engineering ; Environmental science ; Engineering ; Voltage ; Thermodynamics ; Physics High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Aerosol Filtration and Electrostatic Precipitation
Authors: Ching Ting Leung | Yufan Chen | Hanyu Gao
Source: arXiv (Cornell University) (preprint, 2024-07-25)
Field: Materials Science — Materials Chemistry

SMiCRM: A Benchmark Dataset of Mechanistic Molecular Images Optical chemical structure recognition (OCSR) systems aim to extract the molecular structure information, usually in the form of molecular graph or SMILES, from images of chemical molecules. While many tools have been developed for this purpose, challenges still exist due to different types of noises that might exist in the images. Specifically, we focus on the 'arrow-pushing' diagrams, a typical type of chemical images to demonstrate electron flow in mechanistic steps. We present Structural molecular identifier of Molecular images in Chemical Reaction Mechanisms (SMiCRM), a dataset designed to benchmark machine recognition capabilities of chemical molecules with arrow-pushing annotations. Comprising 453 images, it spans a broad array of organic chemical reactions, each illustrated with molecular structures and mechanistic arrows. SMiCRM offers a rich collection of annotated molecule images for enhancing the benchmarking process for OCSR methods. This dataset includes a machine-readable molecular identity for each image as well as mechanistic arrows showing electron flow during chemical reactions. It presents a more authentic and challenging task for testing molecular recognition technologies, and achieving this task can greatly enrich the mechanisitic information in computer-extracted chemical reaction data. Benchmark (surveying) ; Computer science ; Artificial intelligence ; Data science ; Geography ; Cartography Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Cell Image Analysis Techniques
Authors: Jannik Rothkegel | Sylvia Kaufmann | Michaela Wilsch-Braeuninger | Rita Mateus
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-09-19)
Field: Materials Science — Materials Chemistry

The Role of Purine Interactions in Biogenic Crystal Shape Determination Widespread through phyla, purine crystals are intracellular inclusions serving a myriad of organismal functions. In zebrafish, iridophores concentrate purines in membrane-bound organelles, the iridosomes, for controlled crystallization. These crystals assemble into large, flat, and thin hexagons following unknown mechanisms that evolve against thermodynamically favorable interactions. Here, we investigate the initial development of zebrafish iridosomal crystals. By performing in vivo confocal reflection imaging, cryoFIB-SEM, and establishing novel 2D and 3D analysis pipelines, we show that these crystals grow four times faster along the b-crystallographic axis, leading to their characteristic hexagonal shape. By analyzing zebrafish with impaired guanine production, while conducting crystal growth simulations, we find that crystal shape is directed by bond type, number, and interaction strength between purines. Mechanistically, the macroscopic shape of zebrafish crystals is controlled by the relative concentration of purines present in the iridosome. This process impacts crystal growth along the b-axis, by disrupting the crystal's in-plane hydrogen bond structure, without alteration of the other axes. Our work uncovers a layer of biogenic crystal growth regulation occurring in vertebrate biocrystallization processes. Purine ; Chemistry ; Crystallography ; Biochemistry ; Enzyme Crystallization and Solubility Studies
Authors: Kiranmai Yellam | Anshuman Priyadarshi | Prateek K. Jha
Source: Scientific Reports (article, 2024-02-14)
Field: Materials Science — Surfaces, Coatings and Films

Monte Carlo simulations of spherocylinders interacting with site-dependent square-well potentials Monte Carlo simulations are performed to study the self-assembly of a dilute system of spherocylinders interacting with square-well potential. The interactions are defined between randomly placed sites on the axis of the spherocylinder, akin to the interacting groups on a rigid rodlike molecule. This model therefore also serves as a minimal coarse-grained representation of a system of low molecular weight or stiff polymers with contour lengths significantly lower than the persistence length, interacting predominantly with short-range interactions (e.g., hydrogen bonding). The spherocylinder concentration, square-well interaction strength and range, and fraction of interacting sites are varied to study the phase behavior of the system. We observe the formation of dispersed, bundled, and network configurations of the system that may be compared with previous atomistic simulation results of weak polyelectrolytes. Monte Carlo method ; Statistical physics ; Square (algebra) ; Mean square ; Physics ; Range (aeronautics) ; Chemical physics ; Materials science ; Molecular physics ; Geometry ; Mathematics Polymer Surface Interaction Studies ; Electrostatics and Colloid Interactions ; Surfactants and Colloidal Systems