jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hye-Ree Han
Source: Coatings (article, 2023-10-11)
Field: Materials Science — General Materials Science

The Contribution of the Pore Size of Titanium DC (Direct Current) Sputtered Condensation Polymer Materials to Electromagnetic Interruption and Thermal Properties Using special materials has been in the spotlight, along with their multifunctional demands, research on electromagnetic interruption, thermal characteristics, biosignal sensors, secondary batteries, etc. In this study, titanium was sputtered into a condensation polymer material and considered in depth in terms of electromagnetic interruption, thermal properties, infrared blocking, etc. As a result of observing the electromagnetic wave shielding effect, the electromagnetic wavelength value decreased from 168.0 to 42.7 to 64.0 when titanium DC sputtered film samples were placed in front of the electromagnetic wave source. The titanium DC sputtered samples significantly reduced electrical resistance compared to the untreated samples. In addition, the IR transmittances of the titanium sputtered specimens were decreased compared to the untreated specimens. When only the cross-section was treated with titanium sputtering and the titanium surface was directed toward the infrared irradiator, the infrared permeability was 64.3 to 0.0%. After taking an infrared thermal image, ΔH, ΔV, ΔS, ΔY, ΔCr, and ΔCb values were calculated. It is believed that the titanium DC sputtered polyamide materials produced in this study can be used for high-functional protective clothing, sensors by applying electromagnetic interruption, IR blocking, and stealth functions. Titanium ; Materials science ; Sputtering ; Electromagnetic radiation ; Composite material ; Thermal ; Infrared ; Electromagnetic shielding ; Optoelectronics ; Metallurgy ; Optics ; Nanotechnology ; Thin film Material Properties and Applications ; Advanced Sensor and Energy Harvesting Materials ; Electromagnetic wave absorption materials
Authors: C. Kuntz | Paul Jakob Jägerfeld | Joe P. Mmbaga | Robert E. Hayes | Olaf Deutschmann
Source: Emission Control Science and Technology (article, 2023-03-28)
Field: Materials Science — Materials Chemistry

Coupling of Liquid and Surface Chemistry in Urea SCR Systems Abstract Close-coupled selective catalytic reduction (SCR) systems are one method to deal with tightening emission legislation for NO x in internal combustion engines. Due to smaller mixing sections and at unfavourable boundary conditions, however, urea-water solution (UWS) droplets can impact on the SCR catalyst itself. To investigate this phenomenon further, this work develops a modeling capability of this process. Established mechanism for NH 3 -SCR and HNCO hydrolysis from literature is integrated into DETCHEM CHANNEL and a 2D COMSOL model to simulate the influence in the SCR Channel. Simulations are validated against end-of-pipe experiments from literature and spatially resolved concentration profiles from a hot gas test rig with very good agreement. Finally, a channel simulation is coupled with a model to describe the catalytic decomposition of an urea droplet. The coupled simulation is able to simulate the influence of UWS droplet impact onto a catalyst channel. Fast droplet decomposition causes a peak in NH 3 and HNCO in the single channel and thus increases NO x conversion. However, the overall uniformity and efficiency are decreased, which is why droplet impact on the catalyst should be strictly avoided. Catalysis ; Selective catalytic reduction ; Chemistry ; Urea ; Coupling (piping) ; Mixing (physics) ; Work (physics) ; Combustion ; Decomposition ; Channel (broadcasting) ; Mechanics ; Chemical engineering ; Thermodynamics ; Materials science ; Physical chemistry ; Physics ; Composite material ; Organic chemistry ; Engineering Catalytic Processes in Materials Science ; Vehicle emissions and performance ; Atmospheric chemistry and aerosols
Authors: Manish Maru | J.K. Shrivastava
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2023-05-10)
Field: Chemistry — Physical and Theoretical Chemistry

Adsorption Characteristics of Activated Carbon Produced from Slow Pyrolysis of Cajanus Cajan Stalk The models produced from the calibrations were used to predict these physical properties in a test set of activated carbon samples made from diverse source sources. A sample was heated to different temperatures (200°C, 300°C, 400°C, and activated carbon) to track changes in the adsorption's properties. The predicted values and projected values often agree well and give good results for the agricultural waste of Cajanus Cajan. Our experiment yielded entirely satisfactory IV and MB values of 726 mg/g and 175 mg/g, respectively. MB and IV adsorption tests may yield more information with this method than is generally achievable with this material. Cajanus ; Stalk ; Adsorption ; Pyrolysis ; Activated carbon ; Carbon fibers ; Chemical engineering ; Chemistry ; Materials science ; Composite material ; Agronomy ; Biology ; Organic chemistry ; Engineering ; Horticulture ; Composite number Advanced Physical and Chemical Molecular Interactions ; Adsorption and biosorption for pollutant removal
Authors: Henrik Siegel | Mariska de Ruiter | Cos M. Hesseling | Γεώργιος Αθανασίου | Martin F. Haase
Source: arXiv (Cornell University) (preprint, 2023-01-30)
Field: Materials Science — Materials Chemistry

Scalable fabrication of bijel films via continuous flow slit-coating Nanocomposite membranes are an emerging filtration material in the production of clean water. Recently, the fabrication of porous nanocomposite membranes via solvent transfer induced phase separation (STrIPS) was introduced. During STrIPS, the phase separation of two immiscible liquids is arrested by the attachment of nanoparticles at the liquid-liquid interface, generating a porous particle-stabilized membrane template. STrIPS nanocomposite membranes, however, have so far only been produced as hollow fibers. To overcome this, we designed a roll-to-roll (R2R)-process for the continuous fabrication of flat-sheet nanocomposite membranes via STrIPS. We produce the STrIPS membrane by printing the membrane precursor on a carrier substrate. This allows for the continuous collection of STrIPS membranes with control over the membrane dimensions. Contact angle measurements elucidate the wetting dynamics of the STrIPS membrane on the substrate. Furthermore, we demonstrate control over the membrane pore structure by varying the precusor liquid composition and by changing the particle modification and loading in the membrane. With this, the R2R-approach may stimulate further advancements in the fabrication of flat-sheet nanocomposite membranes via STrIPS. Membrane ; Materials science ; Fabrication ; Nanocomposite ; Wetting ; STRIPS ; Substrate (aquarium) ; Coating ; Nanoparticle ; Particle (ecology) ; Contact angle ; Chemical engineering ; Porosity ; Nanotechnology ; Composite material ; Chemistry Pickering emulsions and particle stabilization ; Membrane Separation Technologies ; Surface Modification and Superhydrophobicity
Authors: Virginie Marry | Sébastien Le Crom | Eric Ferrage | Laurent J. Michot | B. Farago | Alfred Delville | Emmanuelle Dubois
Source: ChemRxiv (preprint, 2023-07-27)
Field: Materials Science — Biomaterials

Role of cationic organisation on water dynamics in saponite clays Water dynamics impacts many phenomena from geosciences to biology, especiallly in confined environments. In the presence of charged interfaces, there are some ions the role of which with regards to the water dynamics is unclear. Here a synthetic saponite clay, which is oriented in a film, is used as confining medium in the bilayer state. It confines two water layers between negatively charged planes, the charge of which is compensated by sodium cations. Water dynamics is determined both parallel and perpendicular to the charged clay layers with Neutron Spin Echo (NSE). This technique gives access to long enough times and directly provides the intermediate scattering function that is calculated on the other hand by Molecular Dynamics (MD) simulations. These latter also enable the study of cations dynamics, not experimentally accessible on this time scale. The results point towards a huge role of these cations on the water dynamics, mainly through their local structure and localization between the charged confining planes. Saponite ; Chemical physics ; Bilayer ; Molecular dynamics ; Dynamics (music) ; Scattering ; Neutron scattering ; Materials science ; Clay minerals ; Chemistry ; Physics ; Mineralogy ; Membrane ; Optics ; Computational chemistry Clay minerals and soil interactions ; Soil and Unsaturated Flow ; NMR spectroscopy and applications
Source: NanoWorld Journal (article, 2023-09-29)
Field: Chemistry — Inorganic Chemistry

Optimization of Adsorption Parameters for Effective Removal of Basic Yellow Dye 28 from Aqueous Solution by Apatites Using a Factorial Design Omar Boukra, Ali Boukra, Sanaâ Saoiabi, Souhayla Latifi, Youssef Khallouki, Anas Krime, Soumia Berrahou, Larbi El Hammari and Ahmed Saoiabi This study focuses on the potential use of apatitic materials grafted with aminotrimethylene phosphonic acid (HAp-AMP) at different grafting rates (0%, 2.5%, 5%, and 10%) as basic yellow dye adsorbents 28. These apatitic materials were prepared by a precipitation process at 25 °C in an aqueous medium according to the rapid neutralization of calcium hydroxide (Ca(OH)2) by ammonium dihydrogen phosphate (NH4H2PO4). Adsorption ; Aqueous solution ; Factorial experiment ; Chemistry ; Chemical engineering ; Materials science ; Mathematics ; Organic chemistry ; Engineering ; Statistics Pigment Synthesis and Properties
Authors: Raviraj M. Kulkarni | Shilpa Yakkerimath | Sanjaykumar V. Divekar | Vaibhav R. Chate | BEKAL PURANDARA
Source: Asian Journal of Chemistry (article, 2023-08-31)
Field: Materials Science — Biomaterials

Thermally Activated Natural Clay for the Removal of Pharmaceutical Drug Levofloxacin The adsorption behaviour of natural clay (NC) and thermal activated clay (TAC) mineral of the Panchanganga river flood zone sedimentfor levofloxacin (a class of fluoroquinolone antibacterial drug) has been studied. The isotherm and kinetic studies were performed using the batch technique. The results showed that TAC has 72.6% removal efficiency comparatively higher than NC, which is 62.8% at 120 min, pH = 7, dosage 0.40 g/L and Initial concentration of 18.69 mg/L. The kinetic and isotherm results indicate the adsorption of levofloxacin on NC and TAC follows Freundlich isotherm suggesting multilayer sorption and chemisorption as a rate-limiting step during the process. A plausible mechanism is proposed for the interaction of NC and TAC with levofloxacin from the results of the adsorption study. The negative free energy change and positive enthalpy change indicated that the adsorption process is spontaneous and endothermic. Chemistry ; Adsorption ; Sorption ; Enthalpy ; Endothermic process ; Freundlich equation ; Chemisorption ; Nuclear chemistry ; Chromatography ; Organic chemistry ; Thermodynamics Clay minerals and soil interactions
Authors: Takuya Saito | Yutaka Sumino
Source: arXiv (Cornell University) (preprint, 2023-12-07)
Field: Materials Science — Materials Chemistry

Stochastic heat differences between many-particle and density field descriptions This article investigates spatiotemporally discrete or continuous stochastic descriptions, where we focus on differences in heat naturally defined between the particle level and the density field. Both the descriptions are found to generally make the heat differences by the entropic term expressed just with the number density through spatial projection from the many particles' positions onto the density field. The transformation from the Langevin to Dean--Kawasaki equations is considered as the projection in the continuous descriptions, where the emergent heat differences undergo little temporal variations due to the sparse distributions of the point-particles. On the other hand, the analogous formalisms constructed in the discrete models may exhibit the explicit temporal evolutions of the entropic term. Furthermore, we develop arguments about the interpretation and applicability of the heat differences as well as the perspectives to many-polymer system. Langevin equation ; Langevin dynamics ; Projection (relational algebra) ; Heat equation ; Rotation formalisms in three dimensions ; Statistical physics ; Physics ; Entropy (arrow of time) ; Stochastic differential equation ; Classical mechanics ; Mathematics ; Thermodynamics ; Quantum mechanics ; Geometry Material Dynamics and Properties ; Lipid Membrane Structure and Behavior ; Electrostatics and Colloid Interactions
Authors: Guangyu Sun
Source:  (preprint, 2023-11-21)
Field: Materials Science — Materials Chemistry

Integrated modeling of vacuum flashover development: above-surface processes and breakdown threshold analyses &lt;p&gt;The flashover in vacuum is a rapid interfacial discharge across the insulator surface when subjected to high applied voltage. Here a theoretical model covering above-surface processes is introduced. The model calculates the flashover threshold in vacuum, with revised secondary electron emission avalanche theory and improved desorbed neutral transport model. The model serves as the first part of an integrated flashover model, aiming for consistent treatment of both above-surface and subsurface processes during the entire flashover development. The flashover threshold is obtained by combining the desorbed neutral pressure at given applied voltage and the gas breakdown criterion dictated by the Paschen’s law. An analytical formula for threshold estimation containing physical parameters, and a simplified formula consisting of empirical coefficients are introduced, catering for both conceptual understanding and practical application. The derived formulae are validated by experimental data for a variety of insulator materials. The theory generalization for nonuniform electric field distribution is further discussed.&lt;/p&gt; Arc flash ; Insulator (electricity) ; Electric field ; Mechanics ; Electron avalanche ; Voltage ; Secondary emission ; Field electron emission ; Materials science ; Breakdown voltage ; Threshold voltage ; Computational physics ; Electron ; Chemistry ; Physics ; Electrical engineering ; Composite material ; Engineering ; Ion ; Nuclear physics High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Thermal Analysis in Power Transmission
Authors: Ivan Utkin | Liudmila Khakimova | Stefan M. Schmalholz | Yury Podladchikov
Source: Continuum Mechanics and Thermodynamics (article, 2023-07-16)
Field: Materials Science — Materials Chemistry

Control of nonlinear bulk deformation and large shear strain on first-order phase transformation kinetics Abstract Phase transformations play a key role in numerous coupled natural processes, and they are important for many industrial applications. However, the kinetics of phase transformations in coupled chemo-mechanical systems undergoing large mechanical deformations still needs to be better quantified. Here, we study the phase transformation kinetics of a two-phase binary mixture using the diffuse interface approach. We couple a Cahn–Hilliard type model with a mechanical model for a compressible viscous flow. The bulk compressibility is a nonlinear function of the pressure, and the shear viscosity is a nonlinear function of the concentration. The mechanical coupling is achieved by employing a pressure-dependent mechanical mixing term in the equation for the Gibbs energy. We derive a dimensionless system of equations which we solve numerically with a pseudo-transient method using conservative finite differences for discretization. We perform numerical simulations in 1D and 2D model setups considering far-field simple shear and pure shear. For a chemo-mechanically coupled system, we show that the velocity of the phase boundary is a linear function of the degree of metastability and, hence, confirm the hypothesis of “normal growth.” A stronger mechanical coupling and a larger volumetric effect of the chemical reaction result in lower phase boundary velocities. The 2D results show a significant impact of the mechanical coupling and the far-field deformation on the orientation and kinetics of the phase transformations. Under far-field simple shear and pure shear in 2D, the phase transformations generate string-like patterns. The orientation of these patterns is controlled by the applied far-field deformation and orientations differ by 45 degrees between simple shear and pure shear. Simple shear ; Mechanics ; Materials science ; Nonlinear system ; Compressibility ; Dimensionless quantity ; Shear (geology) ; Shear flow ; Classical mechanics ; Phase (matter) ; Shear rate ; Thermodynamics ; Physics ; Viscosity ; Shear stress ; Composite material Solidification and crystal growth phenomena ; nanoparticles nucleation surface interactions ; Material Dynamics and Properties
Authors: Ellis Archer | Dichu Xu | C. Samuel Craig | Katrina Morgan | Ioannis Zeimpekis
Source:  (article, 2023-06-13)
Field: Materials Science — Materials Chemistry

Expanding the transmission window of visible-MWIR chalcogenide glasses by silicon nitride doping Gallium Lanthanum sulphur-oxide (GLSO) glass is an excellent candidate for a window/dome material ought to its wideband transmission window from visible to MWIR. The suitable optical transmission from 0.45-8 microns is supplemented by its superior thermal and mechanical properties to contemporary materials, such as Cleartran™ zinc sulphide. In this work, the properties of GLSO were enhanced by doping with small concentrations of silicon nitride (≤ 0.5 M%), which expanded the transmission window to encompass all the visible spectra. Nano-indentation demonstrated that the hardness and elastic modulus slightly improved. Overall, the improvements demonstrated here make this glass an even better solution when compared to the state-of-the-art for use in single-optic windows and domes. Materials science ; Doping ; Optoelectronics ; Silicon nitride ; Silicon ; Nitride ; Visible spectrum ; Optics ; Composite material ; Layer (electronics) Phase-change materials and chalcogenides ; Chalcogenide Semiconductor Thin Films ; Photonic and Optical Devices
Authors: Betony Adams | Ilya Sinayskiy | Shivang Agarwal | Francesco Petruccione
Source: arXiv (Cornell University) (preprint, 2023-10-20)
Field: Chemistry — Spectroscopy

Entanglement and coherence in pure and doped Posner molecules The potential role of spin in biological systems is a primary topic in quantum biology. However, much of this research focuses on electron spin. A recent hypothesis suggests that nuclear spin may be better suited to biological processes, being less sensitive to decoherence. The hypothesis details how phosphorus nuclei might be prepared in a spin-entangled state, how this entanglement is protected by assembly into calcium phosphate (Posner) molecules, and how this entanglement might modulate calcium ion production and concomitant neural activation. In this paper, we investigate the robustness of quantum effects such as coherence and entanglement in Posner molecules. We investigate how these effects are directly dependent on specific parameters such as spin-spin coupling strengths and Posner molecule symmetry. We also investigate how lithium isotope-doped Posner molecules differentially modulate quantum resources such as coherence and entanglement and whether this is a viable explanation for lithium's mechanism of action in bipolar disease. Finally, we illustrate how entanglement might possibly be preserved through the exploitation of the biological environment. Quantum entanglement ; Quantum decoherence ; Coherence (philosophical gambling strategy) ; Physics ; Quantum sensor ; Quantum mechanics ; Quantum ; Photon entanglement ; Chemical physics ; Quantum network Advanced NMR Techniques and Applications ; Electron Spin Resonance Studies ; Atomic and Subatomic Physics Research
Authors: Maddalena Bin | Mario Reiser | Mariia Filianina | Sharon Berkowicz | Sudipta Das | Sonja Timmermann | Wojciech Roseker | Robert Bauer | Jonatan Öström | Aigerim Karina | Katrin Amann‐Winkel | Marjorie Ladd-Parada | Fabian Westermeier | Michael Sprung | Johannes Möller | Felix Lehmkühler | Christian Gutt | Fivos Perakis
Source: arXiv (Cornell University) (preprint, 2023-01-26)
Field: Materials Science — Materials Chemistry

Coherent X-ray Scattering Reveals Nanoscale Fluctuations in Hydrated Proteins Hydrated proteins undergo a transition in the deeply supercooled regime, which is attributed to rapid changes in hydration water and protein structural dynamics. Here, we investigate the nanoscale stress relaxation in hydrated lysozyme proteins stimulated and probed by X-ray Photon Correlation Spectroscopy (XPCS). This approach allows us to access the nanoscale dynamic response in the deeply supercooled regime (T = 180 K) which is typically not accessible through equilibrium methods. The relaxation time constants exhibit Arrhenius temperature dependence upon cooling with a minimum in the Kohlrausch-Williams-Watts exponent at T = 227 K. The observed minimum is attributed to an increase in dynamical heterogeneity, which coincides with enhanced fluctuations observed in the two-time correlation functions and a maximum in the dynamic susceptibility quantified by the normalised variance $χ_T$. Our study provides new insights into X-ray stimulated stress relaxation and the underlying mechanisms behind spatio-temporal fluctuations in biological granular materials. Dynamic light scattering ; Relaxation (psychology) ; Arrhenius equation ; Supercooling ; Chemical physics ; Nanoscopic scale ; Exponent ; Materials science ; Scattering ; Thermodynamics ; Chemistry ; Condensed matter physics ; Physics ; Nanotechnology ; Physical chemistry ; Nanoparticle ; Optics ; Activation energy Material Dynamics and Properties ; Enzyme Structure and Function ; Protein Structure and Dynamics
Authors: A. Ahmed | Walaa A. Hassan | Mohamed Abdel-Moneim Mohamed | Ezzat A. Ahmed | Nagah Shaalan | Mostafa R. Abukhadra
Source: Research Square (preprint, 2023-03-06)
Field: Chemistry — Inorganic Chemistry

Ultra-fast adsorption of radioactive technetium (99mTc) by using mining waste Clay samples, Abu Tartur, Egypt Abstract In this study, we have opened a great route to fabricate a high-performance nanocomposite for various functional applications based on the composite of a natural stone. A clay sample (black shale (B.Sh)) was collected from the Abu-Tartur area in Egypt. The black shale was organically modified with organic materials in our laboratory, which is called organic-black shale (O-B.Sh). The samples were characterized by XRD, FTIR, SEM, and XRF. These techniques confirmed that the samples have multi-oxide phases with approximately SiO 2 at 54.1%, Al 2 O 3 at 24.73%, Fe 2 O 3 at 6.02%, K 2 O at 1.12%, MgO at 1.09%, and Na 2 O of 0.09%, as calculated by XRF. The two samples were applied to the adsorption processes of the radioactive technetium materials, which have been used for the medical treatment of the cancer institute of upper Egypt. The adsorption processes were performed at various concentrations of the radioactive material and various amounts of clay samples. The as-collected B.Sh sample showed an adsorption activity of 65%, however, the organically modified materials showed a high adsorption rate toward technetium reaches to 100% in a very short time, and without any further process. The present collected materials are very promising to withdraw the radioactive materials from the saline solution to save human and environmental health. We believe that these multi-compound composites may open a new approach for creating new fabric composites with high performance toward various applications. Adsorption ; Radioactive waste ; Oil shale ; Radionuclide ; Nuclear chemistry ; Materials science ; Technetium ; Nanocomposite ; Fourier transform infrared spectroscopy ; Radiochemistry ; Waste management ; Chemistry ; Chemical engineering ; Composite material ; Organic chemistry Radioactive element chemistry and processing ; Nuclear materials and radiation effects ; Chemical Synthesis and Characterization