jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: P. Miquelarena | C. Saffe | M. Flores | R. Petrucci | Jhon Yana Galarza | J. Alacoria | M. Jaque Arancibia | E. Jofré | K. Montenegro Armijo | F. Gunella
Source: arXiv (Cornell University) (preprint, 2024-05-31)
Field: Chemistry — Spectroscopy

The largest metallicity difference in twin systems: High-precision abundance analysis of the benchmark pair Krios and Kronos Aims.We conduct a high-precision differential abundance analysis of the remarkable binary system HD 240429/30 (Krios and Kronos, respectively), whose difference in metallicity is one of the highest detected in systems with similar components to date (approximately 0.20 dex). A condensation temperature TC trend study was performed to search for possible chemical signatures of planet formation. In addition, other potential scenarios have been proposed to explain this disparity. Methods. Fundamental atmospheric parameters (Te f f , log g, [Fe/H], vturb) were calculated using the latest version of the FUNDPAR code employing high resolution MAROON-X spectra. We applied a full line-by-line differential technique to measure the abundances of 26 elements in both stars with equivalent widths and spectral synthesis taking advantage of the non-solar scaled opacities. Results.We found a difference in metallicity of approximately 0.230 dex, being Kronos more metal rich than Krios. The analysis encompassed the examination of the diffusion effect and primordial chemical differences, concluding that the observed chemical discrepancies in the binary system cannot be solely attributed to any of these processes. The results also shown a noticeable excess of Li by approximately 0.56 dex in Kronos, and an enhancement of refractories with respect to Krios. A photometric study with TESS data was carried out, without finding any signal of possible transiting planets around the stars. Several potential planet formation scenarios were also explored to account for the observed excess in both metallicity and lithium in Kronos. Planetary engulfment is a plausible explanation, considering the ingestion of an exceptionally large mass, approximately approximately 27.8M_Earth, but no scenario is definitively ruled out. Benchmark (surveying) ; Metallicity ; Abundance (ecology) ; Computer science ; Statistics ; Mathematics ; Biology ; Astrophysics ; Physics ; Geography ; Ecology ; Cartography ; Galaxy Advanced NMR Techniques and Applications ; Nuclear physics research studies ; Magnetism in coordination complexes
Authors: В. А. Головин | А. Б. Ильин | О. Б. Бутусов | А. Д. Алиев | В. А. Щелков | Г. С. Пупченков
Source: Corrosion material protection and research methods (article, 2024-12-30)
Field: Materials Science — General Materials Science

A method for investigating the defectiveness of composites of polymer anticorrosive coatings in highly aggressive environments A quantitative assessment of both the initial heterogeneity of the structure of epoxy composites and the analysis of its development under the influence of aggressive media by local X-ray spectral analysis of the distribution of particles of inorganic fillers has been carried out. Statistical processing of X-ray spectral analysis profiles makes it possible to accelerate the assessment of changes in the size of the ID and the proportion of Z of various elements of the structure of the inorganic filler framework under the influence of physically and chemically active aggressive media. When filling a system based on an adaptive epoxy-phenol-formaldehyde-furan FF matrix with chromium oxide Cr2O3, a complex effect of reducing the proportion of P and the size of ID is observed. Composite material ; Materials science ; Polymer Material Properties and Applications ; Material Properties and Failure Mechanisms ; Polymer Science and Applications
Authors: Qikun Tian | Yang Qi | An Huang | Bo Peng | Jinbo Zhang | Xiong Zheng | Jian Zhou | Zhenzhen Qin | Guangzhao Qin
Source: arXiv (Cornell University) (preprint, 2024-12-24)
Field: Materials Science — Materials Chemistry

Asymmetric electron distribution induced intrinsically strong anisotropy of thermal transport in bulk CrOCl Anisotropic heat transfer offers promising solutions to the efficient heat dissipation in the realm of electronic device thermal management. However, the fundamental origin of the anisotropy of thermal transport remains mysterious. In this paper, by combining frequency domain thermoreflectance (FDTR) technique and first-principles-based multiscale simulations, we report the intrinsic anisotropy of thermal transport in bulk CrOCl, and further trace the origin of the anisotropy back to the fundamental electronic structures. The in-plane and cross-plane thermal conductivities ($κ$) at 300 K are found to be 21.6 and 2.18 Wm$^{-1}$K$^{-1}$, respectively, showcasing a strong $κ_\mathrm{in-plane}/κ_\mathrm{cross-plane}$ ratio of $\sim$10. Deep analysis of orbital-resolved electronic structures reveals that electrons are mainly distributed along the in-plane direction with limited interlayer distribution along the cross-plane direction, fundamentally leading to the intrinsic anisotropy of thermal transport in bulk CrOCl. The insight gained in this work sheds light on the design of advanced thermal functional materials. Anisotropy ; Condensed matter physics ; Electron ; Distribution (mathematics) ; Materials science ; Thermal ; Physics ; Mathematics ; Thermodynamics ; Quantum mechanics Catalytic Processes in Materials Science ; Electronic and Structural Properties of Oxides ; Machine Learning in Materials Science
Authors: Zeynep Çetınkaya
Source: Gazi Üniversitesi Mühendislik-Mimarlık Fakültesi Dergisi (article, 2024-01-19)
Field: Materials Science — Ceramics and Composites

Geleneksel ve flaş sinterleme yöntemlerinin ZrO2-SnO2 nanokompozitlerin özelliklerine etkisi ZrO2-SnO2 nanokompoziti, elektro-eğirme tekniği ile nanofiber (NF) formunda hacimce (%v/v) üç farklı oranda üretilmiştir. NF’lerin mikro yapısı ve morfolojik karakterizasyonu, ZrO2-SnO2-ZrSnO4’ün üçlü sistemini ortaya koymaktadır. Ayrıca, NF’lerin bileşim oranı değiştirildiğinde, hem bant aralığı hem de elektriksel (flaş) sinterleme (ES veya FS) olayının sıcaklık ve sinter süresi değişimini etkilemiştir. FS deneyleri, termal (844-878 oC) ve elektrik alanı (420V/mm) altında 3,77mA/mm2 akım kesiminde kullanılmıştır. 1,58W/mm3 maksimum güç absorpsiyonu ile 80 saniyeden daha kısa bir sürede oldukça yoğun nanokompozitler elde edilmiştir. Düşük sinterleme sıcaklığı ve süresi sayesinde nanokompozitlerin nano yapılı yüzey morfolojisi elde edilmiştir. FS işleminin yanı sıra ZrO2-SnO2-ZrSnO4 KNF’leri geleneksel sinterleme (GS) yöntemi kullanılarak 1200 oC’de 1 saat süre ile sinterlenmiştir. Bu çalışmada, sinterleme tekniklerindeki farklılığın sinterlenme sıcaklığına ve süresine bunun yanında yoğunluk ve sertlik gibi özelliklerine etkileri incelenmiştir. Kompozisyondaki Sn miktarı (%v/v) arttıkça yoğunluk artmakta ancak sertlik değeri düşmektedir. ZrO2-SnO2-ZrSnO4 KNF’lerinde FS işlemi ile GS’ye göre daha yoğun ve daha sert kompozisyonlar elde edildiği kanıtlanmıştır. Bu sonuçların tamamı değerlendirildiğinde, sentezlenen nanokompozitlerin, model organizmada antimikrobiyal etkisi ve toksik olmaması nedeniyle diş implantları gibi sağlık sisteminde geçerli bir aday olarak kullanılabileceğine inanılmaktadır. Chemistry ; Molecular biology ; Nuclear chemistry ; Physics ; Biology Advanced ceramic materials synthesis ; Advanced materials and composites ; Ferroelectric and Piezoelectric Materials
Authors: Kirill Yakovlev | D. V. Mayorov
Source: Transaction Kola Science Centre (article, 2024-11-28)
Field: Materials Science — Materials Chemistry

LAYERED DOUBLE HYDROXIDE OF MAGNESIUM AND ALUMINUM AS A DOPANT FOR ALUMINA CERAMICS Possibility of magnesia doping at the stage of alumina ceramics batch synthesis by layered double hydroxide of magnesium and aluminum usage is presented. Magnesium ; Dopant ; Aluminium ; Ceramic ; Hydroxide ; Materials science ; Inorganic chemistry ; Metallurgy ; Chemical engineering ; Doping ; Chemistry Layered Double Hydroxides Synthesis and Applications
Authors: Wei Wei | Julian Gebhardt | Daniel F. Urban | Christian Elsässer
Source: arXiv (Cornell University) (preprint, 2024-03-03)
Field: Materials Science — Materials Chemistry

Location and migration of interstitial Li ions in CsPbI$_3$ crystals Halide perovskites are highly promising light-harvesting materials with strong ionic character, enabling in principle the combination of a solar cell and a Li-ion battery in one integrated photo-battery device. Here, we investigate Li ions inside crystals of CsPbI$_3$, as a prototype compound, by means of density-functional-theory calculations. Our findings demonstrate that the interstitial location and migration of Li ions depend strongly on the dynamic nature of the crystal structure of the perovskite compound. We consider two limiting cases for Li in CsPbI$_{3}$,(i) the cubic-symmetry structure as a model for the limit of fast ion motion and (ii) a distorted cubic structure as a model for the limit of slow ion motion. For both limiting cases we obtain moderate energy barriers for migrating Li ions, which highlight the potential of halide perovskites like CsPbI$_3$ for applications in photo-battery devices. Ion ; Materials science ; Crystallography ; Physics ; Chemistry ; Quantum mechanics Solid-state spectroscopy and crystallography ; Optical and Acousto-Optic Technologies ; Photorefractive and Nonlinear Optics
Authors: Zhanmeng Liu | Mang Lu | Hongyu Gan | Jiacheng Li | Guiqing Gao | Manqing Xu | Xianglian Wang
Source: ChemistrySelect (article, 2024-12-30)
Field: Chemistry — Organic Chemistry

One‐Pot Synthesis of Magnetically Recyclable Fe<sub>3</sub>o<sub>4</sub>@Uio‐66 Composite with Enhanced Oxytetracycline Adsorption Capacity Abstract As one of the most stable metal‐organic frame materials (MOFs), UiO‐66 has attracted extensive attention in the adsorption field. However, the application of UiO‐66 is still constrained by the weak electron‐hole charge separation capability and the low accessibility of micropores. In this study, the mesoporous defects of UiO‐66 were constructed with acetic acid and doped with Fe 3 O 4 to prepare magnetically recyclable Fe 3 O 4 @UiO‐66. The doping of Fe 3 O 4 resulted in the formation of denatured mesoporous defects in UiO‐66, which was conducive to adsorption oxytetracycline (OTC) in water. The crystal structure and physicochemical characteristics of Fe 3 O 4 @UiO‐66 were examined. By using the static adsorption technique, the adsorption characteristics and mechanism of OTC on Fe 3 O 4 @UiO‐66 were investigated. The results reveal that Fe 3 O 4 @UiO‐66 has an adsorption capacity of 210 mg g −1 and an OTC removal ratio of 84.0%. The pseudo‐second‐order kinetics, Elovich, and Langmuir isothermal adsorption models were all applicable to the adsorption process. The adsorption process increased entropy and was an endothermic reaction. Solution pH has a little effect on the adsorption performance. This study provides the possibility of one‐step synthesis of MOFs that can efficiently adsorb tetracycline antibiotics in water with low cost and excellent recyclability and reusablity. Adsorption ; Oxytetracycline ; Composite number ; Chemical engineering ; Chemistry ; Materials science ; Nuclear chemistry ; Organic chemistry ; Composite material ; Antibiotics ; Engineering ; Biochemistry Nanomaterials for catalytic reactions ; Catalytic Processes in Materials Science ; Mesoporous Materials and Catalysis
Authors: Yukana Terasawa | Toshimichi Shibue | Toru Asahi
Source: Physical Chemistry Chemical Physics (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Direct capture of the alanine ghost in alanine-doped triglycine sulfate crystals In this report, ghostly ultra-trace amounts of alanine in alanine-doped triglycine sulfate crystal were directly observed by solid-state nuclear magnetic resonance, and the presence of two chemical states in the cation form and neutral form in the doped alanine was revealed. As the result, the crystal structure of alanine-doped triglycine sulfate was determined for the first time. Alanine ; Triglycine sulfate ; Doping ; Chemistry ; Sulfate ; Materials science ; Organic chemistry ; Ferroelectricity ; Optoelectronics ; Amino acid ; Biochemistry Solid-state spectroscopy and crystallography ; Nonlinear Optical Materials Research ; Molecular spectroscopy and chirality
Authors: Xingjun Li | Huan Zhang | Zidan Wu | Wenfu Wu
Source: Food Science and Engineering (article, 2024-03-05)
Field: Materials Science — Polymers and Plastics

Changes in Moisture Desorption Rate of Shelled Corn Layers in a Low-Temperature Deep-Bed Drying Column To optimize grain drying processes, high-moisture shelled corn was dried in a device using a combination of three temperatures (45, 55 and 65 °C) and hot-air velocities (0.7, 1.1 and 1.3 m·s-1). The grain moisture and temperature, and the relative humidity (RH) of interstitial airflow were determined intelligently in grain layers of 7.5 to 32.5 cm with 5.0 cm intervals. The change in RH of interstitial airflow in grain layers of 7.5-27.5 cm with drying time all revealed the shape of a hyperbolic line and took turns to lag. These RH lines shortened with an increased drying temperature from 45 to 65 °C and hot-air velocity from 0.7 to 1.3 m·s-1. The temperature lines were raised and shortened with an increase in drying temperature and hot-air velocity. A modified moisture diffusion exponential equation was developed to analyze the moisture desorption rate of corn kernels. For the average sorption rate curve from grain layers of 2.5-32.5 cm at 1.3 m·s-1 of hot air, the transition points from adsorption to desorption occurred at 2.4 h, 2.7 h, and 3.0 h with drying temperatures of 65 and 45 °C, respectively, and represented the earliest and largest initial desorption rates among the three hot-air velocities. The moisture desorption rate of samples increased with increasing drying temperature. Compared with the average value of grain layers, at the same hot-air velocity, the kernel effective diffusivity (Deff) values dried at 55 °C were correspondingly higher than those dried at 45 and 65 °C. At the same drying temperature, the kernel Deff values tended to increase with an increase in hot-air velocity, whereas the activation energy decreased. These results suggested that an increase in drying temperature and hot-air velocity may considerably shorten adsorption time and increase desorption rates of shelled corn in deep bed drying. Moisture ; Desorption ; Column (typography) ; Environmental science ; Materials science ; Chemistry ; Adsorption ; Composite material ; Mathematics Textile materials and evaluations ; Food Drying and Modeling
Authors: Arijit Maitra | M. P. Gururajan
Source: arXiv (Cornell University) (preprint, 2024-02-13)
Field: Materials Science — Materials Chemistry

Extracting Rates and Activation Free Energies of Martensitic Transitions Using Nanomechanical Force Statistics: Theory, Models, and Analysis Nanomechanical responses (force-time profiles) of crystal lattices under deformation exhibit random critical jumps, reflecting the underlying structural transition processes. Despite extensive data collection, interpreting dynamic critical responses and their underlying mechanisms remains a significant challenge. This study explores a microscopic theoretical approach to analyse critical force fluctuations in martensitic transitions. Extensive sampling of the critical forces was performed using nonequilibrium molecular dynamics simulations of an atomic model of single-crystalline titanium nickel. We demonstrate that a framework of nonequilibrium statistical mechanics offers a principled explanation of the relationship between strain rate and the critical force distribution as well as its mean. The martensitic transition is represented on a free energy landscape, taking into account the thermally activated evolution of atomic arrangements over a barrier during its time-dependent deformation. The framework enables consistent inference of the relevant fundamental properties (e.g., intrinsic rate, activation free energy) that define the rate process of structural transition. The study demonstrates how the statistical characterisation of nanomechanical response-stimulus patterns can offer microscopic insights into the deformation behaviours of crystalline materials. Crystal twinning ; Crystallography ; Materials science ; Phase (matter) ; Phase change ; Spectroscopy ; Chemistry ; Physics ; Thermodynamics ; Microstructure Solid-state spectroscopy and crystallography ; X-ray Diffraction in Crystallography ; Crystallography and molecular interactions
Authors: Remon Melad Asal | Ahmed Said A. Ibrahim | Gamal Abd el-Wahab Ahmed | Gehan Ahmed Ali Micky | Rasha H. Baker | A. M. Kamal
Source: Assiut University Bulletin for Environmental Researches (article, 2024-08-13)
Field: Materials Science — Polymers and Plastics

Adsorption of Aryl Azothieno[2,3-b]pyridine Dyes on Corncobs Nowadays, water pollution is considered one of the most global unwanted environmental problems, so its treatment is of great importance. In this study, Corncobs, which are considered agro-cellulosic wastes, were used as highly efficient and low-cost sorbents for the adsorptive removal of some 4,6-dimethyl-2-(aryldiazenyl)thieno[2,3-b]pyridine-3(2H)-one dyes from aqueous solutions. The influences of the different operating parameters such as solution pH, sorbent dose, dye concentration, particle size, and contact time are extensively examined. From the experimental results, we found that the adsorption capacity attained its highest value at pH 12 and particle size 0.125 mm, also the adsorption reached equilibrium after 90 minutes. Results revealed that the adsorption data is well described by Langmuir and Freundlich isotherms with higher values of maximum adsorption capacities. It was found that the kinetic model for Ia, Ic and Id are consistent with a pseudo-second-order (R2 >0.99) and Ib is consistent with a pseudo–first-order (R2 >0.99). Therefore, kinetic studies demonstrated that the adsorption process is well fitted by pseudo-second-order model and ruled by pore diffusion and film diffusion mechanism. Aryl ; Pyridine ; Chemistry ; Adsorption ; Combinatorial chemistry ; Organic chemistry Polymer Synthesis and Characterization
Source: International Research Journal of Modernization in Engineering Technology and Science (article, 2024-06-23)
Field: Chemistry — Electrochemistry

Electro-deturbidization of Crude Oil Polluted Water Using Aluminium Electrode Deturbidization of crude oil-polluted water by electrocoagulation was investigated using an aluminium (Al) electrode.The crude oil used in this experiment was obtained from the shell petroleum development company (SPDC) flow station at Kokori in Ethiope East local government area of Delta state.The experiment was performed in a batch electrochemical cell with an aluminium electrode in a monopolar connection.To estimate the efficiency of the electrocoagulation technique, preliminary tests were conducted.And the best result was achieved at pH 8, the current dosage of 2.5A, a temperature of 298 K, and contact time of 30 min.With a turbidity removal efficiency of 84.7%.The data obtained were analysed using the pseudo-first-order, pseudosecond-order, Elovich, intra-particle diffusion, and the Boyd kinetic models.Using the regression coefficient (r 2 ), the kinetic rates conformed to the pseudo-second-order kinetic model.The result were further analysed using different adsorption isotherms such as: Freundlich, Temkin, Langmuir, and Dubinin-Radushkevich (D-R) model.And the sorption process was found to fit best with the Langmuir adsorption isotherm with monolayer coverage of adsorbed molecules.The thermodynamics study shows that the adsorption process was endothermic and spontaneous. Crude oil ; Aluminium ; Metallurgy ; Electrode ; Environmental science ; Pulp and paper industry ; Environmental chemistry ; Petroleum engineering ; Materials science ; Chemistry ; Geology ; Engineering Electrochemical Analysis and Applications
Authors: Lukas Rieland | Julian Wagner | Robin Bernhardt | Tianyi Wang | Omar Abdul-Aziz | Philipp M. Stein | Eva A. A. Pogna | Stefano Dal Conte | Giulio Cerullo | Hamoon Hedayat | P. H. M. van Loosdrecht
Source: arXiv (Cornell University) (preprint, 2024-04-26)
Field: Materials Science — Materials Chemistry

Ultrafast Optical Control of Exciton Diffusion in WSe$_2$/Graphene Heterostructures Revealed by Heterodyne Transient Grating Spectroscopy Using heterodyne transient grating spectroscopy, we observe a significant enhancement of exciton diffusion within a monolayer WSe$_2$ stacked on top of graphene. We further demonstrate that the diffusion dynamics can be optically tuned on the ultrafast time scale (i.e. a few picoseconds) by altering the photoexcited charge carrier density in graphene. The results reveal that, on a time scale of a few picoseconds, the effective diffusion constant in the WSe$_2$/graphene heterostructure is approximately 40 cm$^2 $/s, representing a substantial improvement over the 2 cm$^2 $/s typical for an isolated monolayer of WSe$_2$. The enhanced diffusion can be understood in terms of a transient screening of impurities, charge traps, and defect states in WSe$_2$ by photoexcited charge carriers in graphene. Furthermore, we observe that the diffusion within WSe$_2$ is affected by interlayer interactions, like charge transfer, exhibiting different dynamic states depending on the incident excitation fluence. These findings underscore the dynamic nature of screening and diffusion processes in heterostructures of 2D semiconductors and graphene and provide valuable insights for future applications of these systems in ultrafast optoelectronic devices. Ultrashort pulse ; Exciton ; Grating ; Heterodyne (poetry) ; Transient (computer programming) ; Optoelectronics ; Materials science ; Spectroscopy ; Diffusion ; Graphene ; Heterojunction ; Ultrafast laser spectroscopy ; Optics ; Physics ; Nanotechnology ; Condensed matter physics ; Quantum mechanics ; Laser ; Computer science 2D Materials and Applications ; Organic and Molecular Conductors Research ; Chalcogenide Semiconductor Thin Films
Authors: Masaki Ota | Yoshiya MATSUKAWA | Masato Urabe | Hiroyuki Komatsu | Masaru Watanabe
Source: Chromatography (article, 2024-09-09)
Field: Chemistry — Spectroscopy

New Switchable Calculation Method for Chromatogram and Breakthrough-Curve Considering Both Solute Advection and Distribution Between Mobile Phase and Stationary Phase In the previous paper (Kagaku Kogaku Ronbunshu, 2023, 49, 129-132), we proposed a thermodynamically material-balanced calculation model for chromatograms that allows to being switchable with breakthrough curves according to the injection modes. In terms of numerical analysis, this so-called advection – equilibrium stage model (original model) included an iterative calculation based on a type of explicit solution method (the forward substitution method). We have separately investigated ways to reduce the computational load by aiming to derive a new high-speed computational model using an implicit solution method for sparse matrices. As a result, we proposed a new simplified advection – equilibrium stage model accounting for the advection of solutes between the mobile phase and the stationary phase. This simplified model allows changes to the adsorption isotherm equations, and its application for GC, HPLC or SFC is expected to be expanded for the future. Phase (matter) ; Stationary phase ; Chromatography ; Distribution (mathematics) ; Chemistry ; Advection ; Thermodynamics ; Mathematics ; Mathematical analysis ; Physics ; Organic chemistry Analytical Chemistry and Chromatography ; Chromatography in Natural Products ; Spectroscopy and Chemometric Analyses