jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Gunjan Kulkarni | Yahya Bougdid | Chandraika Sugrim | Ranganathan Kumar | Aravinda Kar
Source: Materials (article, 2025-06-12)
Field: Materials Science — Materials Chemistry

Laser-Induced Liquid-Phase Boron Doping of 4H-SiC 4H-silicon carbide (4H-SiC) is a cornerstone for next-generation optoelectronic and power devices owing to its unparalleled thermal, electrical, and optical properties. However, its chemical inertness and low dopant diffusivity for most dopants have historically impeded effective doping. This study unveils a transformative laser-assisted boron doping technique for n-type 4H-SiC, employing a pulsed Nd:YAG laser (λ = 1064 nm) with a liquid-phase boron precursor. By leveraging a heat-transfer model to optimize laser process parameters, we achieved dopant incorporation while preserving the crystalline integrity of the substrate. A novel optical characterization framework was developed to probe laser-induced alterations in the optical constants-refraction index (n) and attenuation index (k)-across the MIDIR spectrum (λ = 3-5 µm). The optical properties pre- and post-laser doping were measured using Fourier-transform infrared spectrometry, and the corresponding complex refraction indices were extracted by solving a coupled system of nonlinear equations derived from single- and multi-layer absorption models. These models accounted for the angular dependence in the incident beam, enabling a more accurate determination of n and k values than conventional normal-incidence methods. Our findings indicate the formation of a boron-acceptor energy level at 0.29 eV above the 4H-SiC valence band, which corresponds to λ = 4.3 µm. This impurity level modulated the optical response of 4H-SiC, revealing a reduction in the refraction index from 2.857 (as-received) to 2.485 (doped) at λ = 4.3 µm. Structural characterization using Raman spectroscopy confirmed the retention of crystalline integrity post-doping, while secondary ion mass spectrometry exhibited a peak boron concentration of 1.29 × 10<sup>19</sup> cm<sup>-3</sup> and a junction depth of 450 nm. The laser-fabricated p-n junction diode demonstrated a reverse-breakdown voltage of 1668 V. These results validate the efficacy of laser doping in enabling MIDIR tunability through optical modulation and functional device fabrication in 4H-SiC. The absorption models and doping methodology together offer a comprehensive platform for paving the way for transformative advances in optoelectronics and infrared materials engineering. Doping ; Materials science ; Boron ; Phase (matter) ; Laser ; Optoelectronics ; Optics ; Chemistry ; Organic chemistry ; Physics Diamond and Carbon-based Materials Research ; Silicon Carbide Semiconductor Technologies ; Semiconductor materials and devices
Authors: Annalena Stroh | Pascal Aellig | Evangelos Moulas
Source: Geoscientific model development (article, 2025-12-19)
Field: Materials Science — Biomaterials

Numerical modelling of diffusion-limited mineral growth for geospeedometry applications Abstract. Diffusion and crystal growth are common processes in nature and can be observed in rocks that have experienced relatively high temperatures. Information about these processes is stored in the composition gradients of minerals. Diffusion can either occur within single crystals or across mineral interfaces. In the case of intercrystalline ion exchange, composition profiles across the interfaces are always discontinuous and may exhibit sharp compositional gradients. The compositional discontinuity and the associated gradients require an accurate treatment for the interface boundary condition. Here, we present a software package (MovingBoundaryMinerals.jl) that is openly available. In this package, we use an adaptive finite element method to describe the diffusion-couple equilibrium by taking into account the moving boundary separating the two phases. In addition, we utilize an adaptive grid approach to resolve the compositional gradients accurately at the interface region. This approach allows modelling a wide range of applications from mineral diffusion, simple ion exchange between diffusion couples, and diffusion-limited growth. The package has been tested versus variable available analytical solutions for diffusion and growth, and several benchmark cases are presented. Finally, our package can be used to model compositional gradients in growing/dissolving/diffusing crystals in the framework of diffusion chronometry and geospeedometry. This approach can provide thermal/time constraints in various geologic phenomena. Diffusion ; Discontinuity (linguistics) ; Boundary (topology) ; Grid ; Interface (matter) ; Benchmark (surveying) ; Mineral ; Range (aeronautics) Calcium Carbonate Crystallization and Inhibition ; CO2 Sequestration and Geologic Interactions ; Geological and Geochemical Analysis
Authors: Tadeusz Kosztołowicz | Aldona Dutkiewicz | Katarzyna D. Lewandowska
Source: Preprints.org (preprint, 2025-06-30)
Field: Chemistry — Spectroscopy

G-Subdiffusion Equation as an Anomalous Diffusion Equation Determined by the Time Evolution of the Mean Square Displacement of a Diffusing Molecule Anomalous and normal diffusion processes are characterized by the time evolution of the mean square displacement of a diffusing molecule σ2(t). When σ2(t) is a power function of time, the process is described by fractional subdiffusion, fractional superdiffusion or normal diffusion equation. However, for other forms of σ2(t), the diffusion equations are often not defined. We show that to describe diffusion characterized by σ2(t), the g-subdiffusion equation with the fractional Caputo derivative with respect to a function g can be used. Choosing an appropriate function g we obtain the Green’s function for this equation, which generates the assumed σ2(t). A method for solving such an equation, based on the Laplace transform with respect to the function g, is also described. Mean squared displacement ; Anomalous diffusion ; Displacement (psychology) ; Square (algebra) ; Diffusion ; Diffusion equation ; Statistical physics ; Physics ; Mathematics ; Classical mechanics ; Thermodynamics ; Molecular dynamics ; Geometry ; Quantum mechanics ; Innovation diffusion ; Computer science ; Engineering ; Psychology Diffusion Coefficients in Liquids ; Thermodynamic properties of mixtures ; Chemical Thermodynamics and Molecular Structure
Authors: Z.T. Gaál | Z. Halász | A. Csík | Viktor Takáts | Gyula Nagy | Johan Oscarsson | Maurício A. Sortica | Daniel Primetzhofer | Tamás Fodor | S. Molnár | J. Hakl | Zs. Benkó | Lajos Daróczi | Márton Benke | K. Vad | I. Rajta
Source: Vacuum (article, 2025-04-05)
Field: Materials Science — Materials Chemistry

Boron depth distribution in iron surfaces at high-dose implantation Due to application of lead-free materials in soldering technology, the degradation of industrial tools is accelerated. However, this can be circumvented with boriding. Two types of boride phases are usually formed (FeB and Fe 2 B), causing internal stress due to the different crystal structures. Our aim with B + ion implantations is to avoid this weakness and create a single-phase iron boride layer. The ion implantation was performed at different doses (6.9·10 17 –1·10 18 ions/cm 2 ) of boron ions and with bombarding energies of 25 keV and 100 keV. The depth distribution of implanted boron was investigated by Secondary Neutral Mass Spectrometry (SNMS) depth profile analyses, Scanning Electron Microscopy (SEM) measurements, and by Elastic Recoil Detection Analysis (ERDA). The purpose of these measurements was to obtain information about the boron distribution produced by high-dose implantation. Our experimental analyses show that the boron distribution is more of a Pearson IV type than a Gaussian type. • Implanting high purity iron with B + ions at high doses. • Depth profile analysis of the B + implanted iron show asymmetrical distribution. • Characterizing the implantation using implant/substrate vs. implant phase diagram. Boron ; Radiochemistry ; Materials science ; Distribution (mathematics) ; Metallurgy ; Chemistry ; Mathematics Nuclear Materials and Properties ; Fusion materials and technologies ; Silicon and Solar Cell Technologies
Authors: С.В. Боголепова | А.А. Греченко
Source: Rhema (article, 2025-01-01)
Field: Materials Science — General Materials Science

Возможности генеративного искусственного интеллекта для проверки академических текстов на английском языке , 101000 ., , .20 Project Proposal , . , -., ; , Work (physics) ; Process (computing) ; Field (mathematics) Engineering and Material Science Research ; Nursing Education, Practice, and Leadership ; Concrete Properties and Behavior
Authors: T.K. Zholdybayev | Timur Kulsartov | Zhanna Zaurbekova | Yevgen Chikhray | Asset Shaimerdenov | Magzhan Aitkulov | Saulet Askerbekov | Inesh Kenzhina | Assyl Akhanov | Alexandr Yelishenkov
Source: Materials (article, 2025-09-02)
Field: Materials Science — Materials Chemistry

Determination of Tritium Transfer Parameters in Lithium Ceramics Li2TiO3 During Reactor Irradiation Based on a Complex Model This paper presents the results of determining the parameters of tritium transfer processes in lithium ceramics Li<sub>2</sub>TiO<sub>3</sub> under reactor irradiation conditions. Analysis of sections with a short-term decrease in reactor power allowed numerical determination of the Arrhenius parameters of tritium diffusion (pre-exponential factor and activation energy) based on comparison with in situ experimental data. The obtained values of activation energy (70.2-74.7 kJ/mol) and pre-exponential factor (0.9-2.1 × 10<sup>-8</sup>m<sup>2</sup>/s) demonstrate growth with increasing fluence, which is explained by the accumulation of radiation defects in ceramics. A linear dependence was established between <i>D</i><sub>0</sub> and <i>E<sub>a</sub></i>, corresponding to the Mayer-Noldel rule. Unlike previously conducted studies based on a phenomenological approach to assessing only the activation energy of diffusion, in this study, a complex model that takes into account temperature gradients, tritium generation, its diffusion, and release from the surface was used. The applicability of such an integrated approach to the analysis of in situ reactor experiments with lithium ceramics was confirmed, and allowed us to estimate changes in the tritium transfer parameters in lithium ceramics Li<sub>2</sub>TiO<sub>3</sub> depending on the irradiation time. Lithium titanate ; Irradiation ; Lithium (medication) ; Tritium ; Materials science ; Ceramic ; Nuclear engineering ; Radiochemistry ; Composite material ; Chemistry ; Nuclear physics ; Engineering ; Thermodynamics ; Physics ; Lithium-ion battery Nuclear materials and radiation effects ; Fusion materials and technologies ; Chemical Synthesis and Characterization
Source: Jornadas de jóvenes investigadores del I3A (article, 2025-07-28)
Field: Materials Science — Biomaterials

Mahdi Poursaberi - Computational Modeling of Cell Behavior Driven by Growth Factor Release from Biodegradable Microcapsules Computational Modeling of Cell Behavior Driven by Growth Factor Release from Biodegradable Microcapsules Growth factor ; Chemistry ; Materials science ; Biochemistry biodegradable polymer synthesis and properties
Authors: Jiahao Cheng | Weicheng Zhong | Jason R. Mayeur | Yukinori Yamamoto | Saket Thapliyal
Source: Research Square (preprint, 2025-01-20)
Field: Materials Science — Metals and Alloys

Hydrogen charging and desorption from microstructural viewpoint: A method for deconvoluting hydrogen desorption spectra and unveiling the hydrogen-microstructure interaction Microstructure ; Hydrogen ; Desorption ; Spectral line ; Materials science ; Analytical Chemistry (journal) ; Chemical physics ; Chemistry ; Physical chemistry ; Metallurgy ; Physics ; Adsorption ; Chromatography ; Organic chemistry ; Quantum mechanics Hydrogen embrittlement and corrosion behaviors in metals ; Corrosion Behavior and Inhibition ; Nuclear Materials and Properties
Authors: Martín Ortiz Domínguez | Arturo Cruz Avilés | Isaías Simón Marmolejo
Source: Ingenio y Conciencia Boletín Científico de la Escuela Superior Ciudad Sahagún (article, 2025-07-11)
Field: Materials Science — Materials Chemistry

Borurización La boruración es un tratamiento termoquímico de superficies que implica la difusión de boro en una base metálica, de forma muy similar a la carburación y la nitruración. Para llevar a cabo este proceso, el sustrato debe estar en contacto con una sustancia rica en boro (Disponible en forma de polvo sólido, pasta, líquido o gas) y mantenerse a altas temperaturas, que suelen oscilar entre los 700 y los 1200ºC. Durante este calentamiento, los átomos de boro se desplazan desde la superficie a la red metálica, interactuando con los átomos del metal y cualquier elemento de aleación para crear boruros. Esta interacción conduce al desarrollo de una capa borurada. Además, pueden utilizarse técnicas de lecho fluidizado para la boruración. Entre los métodos alternativos para lograr la deposición de capas de boruro sin depender de la activación termoquímica se incluyen la deposición de vapor de plasma (PVD), la implantación de iones y las técnicas de pulverización de plasma. Base (topology) ; BORO ; Coker unit Boron and Carbon Nanomaterials Research ; Advanced ceramic materials synthesis ; Metallurgical and Alloy Processes
Authors: Jiahao Cheng | Saket Thapliyala | Weicheng Zhong | Jason R. Mayeur | Yukinori Yamamoto
Source: Research Square (preprint, 2025-11-12)
Field: Materials Science — Metals and Alloys

Explicit Incorporation of Dislocation Pipe Diffusion Mechanism into the Sofronis–McMeeking Hydrogen Transport Framework Dislocation ; Hydrogen ; Hydrogen embrittlement ; Thermal diffusivity ; Austenitic stainless steel ; Diffusion ; Austenite ; Permeation Hydrogen embrittlement and corrosion behaviors in metals ; Additive Manufacturing Materials and Processes ; Nuclear Materials and Properties
Authors: Kaibin Li | Weize Wang | Shilong Yang | Yangguang Liu | Hongchen Li | Wenkang Zhang | Changliang Wang | Xiuxin Du
Source: Thermal spray (article, 2025-05-01)
Field: Materials Science — Ceramics and Composites

Effects of Various Air Plasma Spraying Processes on the Spraying Power and Bond Strength of Yb2Si2O7/Si-HfO2 Environmental Barrier Coatings Abstract In this study, nine coating systems of Yb2Si2O7/Si-HfO2 EBCs with varying spraying process parameters were deposited on silicon carbide (SiC) substrates using the air plasma spraying (APS) process and an orthogonal experimental method. The effects of variations in spraying distance, current, and hydrogen flow rate on spraying power and coating bond strength were investigated. Plasma ; Materials science ; Bond strength ; Bonding strength ; Composite material ; Adhesive Advanced ceramic materials synthesis ; High-Temperature Coating Behaviors ; Metal and Thin Film Mechanics
Authors: Pavel Shalkevich | Nikita Tsvikevich
Source: Journal of Numerical Simulations in Physics and Mathematics (article, 2025-10-29)
Field: Materials Science — Materials Chemistry

Computer Simulation of Diffusion in a Mixture of Ideal Gases Considering the Dependence of the Diffusion Coefficient on the Entropy of Mixing Using Finite Element Method The objective of the research was to perform computer simulation of diffusion in a mixture of ideal gases considering the dependence of the diffusion coefficient on the entropy of mixing according to the proposed mathematical model. Computer simulation was carried out in one-dimensional and two-dimensional settings using finite element method and Python programming language with the use of NumPy and SciPy libraries. The obtained results show that the proposed mathematical model of diffusion in a mixture of ideal gases could be used to solve computer simulation tasks of gas diffusion satisfying the principle of mass conservation, because the entropy is considered via the chemical potential. Ideal gas ; Entropy (arrow of time) ; Diffusion ; Python (programming language) ; Finite element method ; Numerical diffusion ; Ideal (ethics) Material Properties and Failure Mechanisms ; Heat Transfer and Numerical Methods ; Field-Flow Fractionation Techniques
Authors: Katha Ganguly | Pradeep Gopalakrishnan | Akshay Naik | Bijay Kumar Agarwalla | Manas Kulkarni
Source: ArXiv.org (preprint, 2025-01-21)
Field: Chemistry — Spectroscopy

Quantum trajectories and Page-curve entanglement dynamics We consider time dynamics of entanglement entropy between a filled fermionic system and an empty reservoir. We consider scenarios (i) where the system is subjected to a dephasing mechanism and the reservoir is clean, thereby emulating expansion of effectively interacting fermions in vacuum, and (ii) where both the system and the reservoir are subjected to dephasing and thereby enabling us to address how the entanglement between the part of the effectively interacting system and its complement evolves in time. We consider two different kinds of quantum trajectory approaches, namely stochastic unitary unraveling and quantum state diffusion. For both protocols, we observe and characterize the full Page curve-like dynamics for the entanglement entropy. Depending on the protocol and the setup, we observe very distinct characteristics of the Page curve and the associated Page time and Page value. We also compute the number of fermions leaking to the reservoir and the associated current and shed light on their plausible connections with entanglement entropy. Our findings are expected to hold for a wide variety of generic interacting quantum systems. Quantum entanglement ; Dynamics (music) ; Quantum ; Statistical physics ; Physics ; Quantum mechanics Molecular spectroscopy and chirality ; Quantum Information and Cryptography
Authors: Alexander Mielke | André Schlichting | Artur Stephan
Source: ArXiv.org (preprint, 2025-10-08)
Field: Chemistry — Spectroscopy

Derivation of the fourth-order DLSS equation with nonlinear mobility via chemical reactions We provide a derivation of the fourth-order DLSS equation based on an interpretation as a chemical reaction network. We consider the rate equation on the discretized circle for a process in which pairs of particles occupying the same site simultaneously jump to the two neighboring sites; the reverse process involves pairs of particles at adjacent sites simultaneously jumping back to the site located between them. Depending on the rates, in the vanishing-mesh-size limit we obtain either the classical DLSS equation or a variant with nonlinear mobility of power type. Via EDP convergence, we identify the limiting gradient structure to be driven by entropy with respect to a generalization of diffusive transport with nonlinear mobility. Interestingly, the DLSS equation with power-type mobility shares qualitative similarities with the fast diffusion and porous medium equation, since we find traveling wave solutions with algebraic tails or compactly supported polynomials, respectively. Nonlinear system ; Limit (mathematics) ; Discretization ; Limiting ; Entropy (arrow of time) ; Jump ; Chemical reaction ; Jump process Molecular spectroscopy and chirality ; Quantum optics and atomic interactions ; Spectroscopy and Quantum Chemical Studies
Authors: Zhendong Chi | Eoin Dolan | Haozhe Yang | Beatriz Martín-García | Marco Gobbi | Luis E. Hueso | Fèlix Casanova
Source: Physical Review Applied (article, 2025-11-21)
Field: Materials Science — Materials Chemistry

Gate-tunable charge-spin interconversion in graphene/heavy-metal heterostructures Spintronics has emerged as a promising field for next-generation devices, offering functionalities beyond complementary metal-oxide-semiconductor (CMOS). A critical challenge in spintronics is to develop systems that can efficiently generate spin currents and enable their long-distance transport. Here, we demonstrate a graphene (Gr)/heavy metal (HM) heterostructure system that combines strong charge-spin interconversion efficiency, induced by the spin Hall effect, with a long spin diffusion length. By employing an industry-friendly magnetron sputtering technique, we deposit HM layers onto few-layer Gr while minimizing structural damage. The proximity effect from the HM enhances the spin Hall angle of Gr while limiting the reduction in its spin diffusion length. Additionally, the spin Hall angle can be tuned via an applied gate voltage, offering high controllability of the system. Importantly, these properties are observed across heterostructures composed of different HMs, indicating the generality of this approach. Our findings establish Gr/HM heterostructures as a scalable and versatile platform for spin current generation, paving the way for advanced spintronic devices with high efficiency, long spin propagation, and straightforward fabrication processes. Spintronics ; Heterojunction ; Spin (aerodynamics) ; Spin Hall effect ; Spin diffusion ; Graphene ; Controllability ; Fabrication Graphene research and applications ; Magnetic properties of thin films ; 2D Materials and Applications
Authors: Krzysztof Miłek | Wiesław Szott
Source: Energies (article, 2025-10-20)
Field: Materials Science — Materials Chemistry

Numerical Modelling of Gas Mixing in Salt Caverns During Cyclic Hydrogen Storage This study presents the development of a robust numerical model for simulating underground hydrogen storage (UHS) in salt caverns, with a particular focus on the interactions between original gas-methane (CH4) and injected gas represented by hydrogen (H2). Using the Schlumberger Eclipse 300 compositional reservoir simulator, the cavern was modelled as a highly permeable porous medium to accurately represent gas flow dynamics. Two principal mixing mechanisms were investigated: physical dispersion, modelled by numerical dispersion, and molecular diffusion. Multiple cavern configurations and a range of dispersion–diffusion coefficients were assessed. The results indicate that physical dispersion is the primary factor affecting hydrogen purity during storage cycles, while molecular diffusion becomes more significant during long-term gas storage. Gas mixing was shown to directly impact the calorific value and quality of withdrawn hydrogen. This work demonstrates the effectiveness of commercial reservoir simulators for UHS analysis and proposes a methodological framework for evaluating hydrogen purity in salt cavern storage operations. Mixing (physics) ; Hydrogen ; Work (physics) ; Salt (chemistry) ; Hydrogen storage ; Diffusion ; Porous medium ; Dispersion (optics) Hydrogen Storage and Materials ; Chemical Looping and Thermochemical Processes ; Hybrid Renewable Energy Systems
Authors: Panfeng Yang | Shu Zhou | Jie Zhao | Q. Tao | Chen Change Loy
Source: ArXiv.org (preprint, 2025-01-24)
Field: Materials Science — Polymers and Plastics

MatAnyone: Stable Video Matting with Consistent Memory Propagation Auxiliary-free human video matting methods, which rely solely on input frames, often struggle with complex or ambiguous backgrounds. To address this, we propose MatAnyone, a robust framework tailored for target-assigned video matting. Specifically, building on a memory-based paradigm, we introduce a consistent memory propagation module via region-adaptive memory fusion, which adaptively integrates memory from the previous frame. This ensures semantic stability in core regions while preserving fine-grained details along object boundaries. For robust training, we present a larger, high-quality, and diverse dataset for video matting. Additionally, we incorporate a novel training strategy that efficiently leverages large-scale segmentation data, boosting matting stability. With this new network design, dataset, and training strategy, MatAnyone delivers robust and accurate video matting results in diverse real-world scenarios, outperforming existing methods. Computer science ; Cognitive psychology ; Psychology Textile materials and evaluations ; Color Science and Applications ; Image Enhancement Techniques