jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Carl Henrik Dahmén | Christopher Ness | Luca Mazzei
Source: Journal of Rheology (article, 2026-01-13)
Field: Materials Science — Materials Chemistry

Eulerian–Lagrangian simulations of shear thinning and shear thickening in suspensions of repulsive particles Suspensions of neutrally buoyant, non-Brownian, repulsive particles dispersed in Newtonian fluids give rise to complex rheology, shear thinning at low shear rates and shear thickening at high shear rates. Despite extensive study, important aspects of their rheology remain in part unclear, including (i) the role of the drag force in the onset of shear thickening; (ii) the relation between the range of the repulsive force and the rate of shear thinning; and (iii) the value and shear rate dependence of the exponent describing their viscosity divergence. To address these questions, we study the rheology of these suspensions under simple shear flow via a comprehensive numerical Eulerian–Lagrangian model that resolves both the solid and liquid phases, thereby eliminating the need to prescribe the fluid velocity field. This approach allows us to test the assumption of ideal simple shear flow, where the phasic velocity profiles are linear and the shear rate is spatially uniform—an assumption that becomes increasingly inaccurate as the system approaches the jamming transition. Using a simple force balance and accounting for the drag-force hindrance function in the nondimensionalization of the shear rate, we retrieve the onset of shear thickening at the expected order of magnitude of dimensionless shear rate and obtain an expression for the interparticle equilibrium distance that fits the numerical results accurately. Treating the repulsive particles as apparent particles consisting of a rigid core and a soft shell, whose thickness is related to the interparticle equilibrium distance, we describe the suspension rheology by means of a modified Krieger–Dougherty equation, relating its parameters to the shear rate and the repulsive force range. Shear rate ; Simple shear ; Dilatant ; Rheology ; Shear (geology) ; Shear thinning ; Shear flow ; Shear velocity ; Newtonian fluid Material Dynamics and Properties ; Rheology and Fluid Dynamics Studies ; Composite Material Mechanics
Authors: Kai Wu | Michele Puppin | Andrea Marini
Source: arXiv (Cornell University) (article, 2026-04-08)
Field: Materials Science — Materials Chemistry

Excitons in WSe2 time-resolved ARPES: particle or oscillation? The time-resolved angle-resolved photoemission spectra of WSe$_2$, a paradigmatic transition metal dichalcogenide, are dominated by a transient signal that, after being initially observed in the gap at the K valley, scatters, on an ultra-fast time scale of $\sim$ 30 fs, to the $Σ$ valley. In this work we question the common interpretation of the experimental dynamics in terms of a massive bound electron-hole exciton that scatters with phonons and behaves as a quasi-particle. By using a combined theoretical and experimental investigation, we demonstrate that the observed dynamics can be interpreted as the photo-induced transition from direct to indirect excitonic-insulating order. The features that appear in the experimental spectrum correspond to single-particle levels renormalized by the excitonic spontaneous polarization. Exciton ; Phonon ; Spectral line ; Work (physics) ; Interpretation (philosophy) ; Dynamics (music) ; Particle (ecology) ; Biexciton 2D Materials and Applications ; Graphene research and applications ; Chemical and Physical Properties of Materials
Authors: Adrián Ríos-Ortiz | María Fernanda Barragán-Longoria | Erika Magallón-Gayón | Rocío Alejandra Chávez-Santoscoy | Andrea Manriquez-Patiño | Rafael Vazquez-Duhalt | María Teresa Viana
Source: Veterinary Research Communications (article, 2026-01-22)
Field: Materials Science — Biomaterials

Integrative transcriptomic and physiological assessment of nanoencapsulated carvacrol and thymol oil as an antioxidant in thermal-stressed white shrimp (Litopenaeus vannamei) The present study aimed to assess the effects of chitosan nanocapsules loaded with synthetic carvacrol and thymol (structurally analogous to those in oregano oil) on the antioxidant and molecular response of Litopenaeus vannamei subjected to acute thermal stress. Chitosan nanocapsules (of 246 nm) were prepared and incorporated into shrimp feed at eight concentrations in triplicate: 0.0 (0ChNP), 0.033mg g<sup>- 1</sup> (0.03ChNP), 0.1mg g<sup>- 1</sup> (0.1ChNP), 0.2mg g<sup>- 1</sup> (0.2ChNP), 0.3mg g<sup>- 1</sup> (0.3ChNP), 0.467mg g<sup>- 1</sup> (0.5ChNP), 0.633mg g<sup>- 1</sup> (0.6ChNP), and 0.8mg g<sup>- 1</sup> (0.8ChNP). Twenty-four aquariums, each containing three shrimp (10.25 ± 1.14 g), were fed for two weeks. The first 8 days at 27 ± 0.5 °C, followed by a gradual temperature increase to 39 °C. Thereafter, shrimps were sampled, and the hepatopancreas dissected and divided into two, and individually stored in RNAlater for transcriptomic and qPCR analysis. The groups 0ChNP, 0.03ChNP, and 0.3ChNP were selected for transcriptomic analysis based on their physical appearance, and mortality rate. At 0.03ChNP, significant upregulation of genes associated with innate immunity, vesicular trafficking, and autophagy was detected, suggesting an activated protective response. On the other hand, the qPCR on anti-oxidative enzymes, catalase and glutathione peroxidase, showed lower levels than in the control experiments suggesting reduced oxidative stress when chitosan nanocapsules were supplied, especially with 0.3ChNP. In conclusion, chitosan nanocapsules delivering carvacrol and thymol at 0.3 mg g<sup>- 1</sup> of feed modulate distinct molecular pathways that contribute to thermal stress resilience in shrimp. Doses below or above this threshold were ineffective or detrimental under the conditions tested. Carvacrol ; Thymol ; Nanocapsules ; Shrimp ; Antioxidant ; Litopenaeus ; Chitosan ; Transcriptome Nanocomposite Films for Food Packaging ; Invertebrate Immune Response Mechanisms ; Insect Pest Control Strategies
Authors: S. W. S. Apolinario | Nicolás Caro-Montoya
Source: Brazilian Journal of Physics (article, 2026-02-04)
Field: Materials Science — Materials Chemistry

Structural Transitions in Logarithmically Confined Colloidal Systems: Mermaid versus Modified Mermaid Potentials We investigate two-dimensional colloidal assemblies governed by a modified SALR (“mermaid”) potential under logarithmic confinement. The modified interaction introduces a short-range null-force region in addition to the intermediate attraction and long-range repulsion, enabling structural symmetries that are inaccessible to the traditional mermaid model. Using overdamped Langevin dynamics with simulated annealing, we map ground states across particle number $$\varvec{N}$$ and confinement steepness $$\beta _c$$ . Local and global order are quantified through a geometric classification algorithm, correlation functions $$\varvec{S}(\textbf{k})$$ and $$g_2(r)$$ , and complementary shape and connectivity measures based on the moment of inertia tensor and the statistical counts of clusters, stripes, and voids. We find that logarithmic confinement combined with the null-force core suppresses radial symmetry and stabilizes heterogeneous configurations—square, rhomboidal, and mixed motifs—over broad $$(\varvec{N},\beta _c)$$ ranges. With increasing $$\beta _c$$ , clusters merge and the system crystallizes into compact structures; at large $$\varvec{N}$$ or under strong confinement, voids are suppressed and a single ordered aggregate forms. The resulting phase diagram organizes cluster, stripe, void, gear-like, and crystalline regimes as a function of density and confinement, highlighting qualitative differences from the traditional mermaid case. We discuss experimental routes to emulate the three-scale interaction and realize these patterns using steric, depletion, and electrostatic contributions combined with soft, finite logarithmic traps. Logarithm ; Langevin dynamics ; Scaling ; Phase diagram ; Homogeneous space ; Tensor (intrinsic definition) ; Moment of inertia ; Colloid Material Dynamics and Properties ; Pickering emulsions and particle stabilization ; Electrostatics and Colloid Interactions
Authors: Kyungbin Park | Hyeonseok Im | Gyu Ryeol Baek | Mino Woo
Source: ChemEngineering (article, 2026-03-09)
Field: Materials Science — Materials Chemistry

Numerical Study on the Staged SCR Catalyst for Marine Exhaust After-Treatment This study numerically investigates the NO removal performance of a staged catalyst substrate employed in an industrial marine after-treatment system. The computational domain is based on the lab-scale experimental device used for measuring pressure drop, serving as a digital twin to accurately reproduce the staged catalyst configuration prior to its application in full-scale industrial reactors. Experiments were conducted to estimate the parameters for a porous model, employed for efficient computation of flow and reactive mass transfer inside the catalyst substrate without needing a complex computational mesh of the monolith structure. A reaction mechanism from the literature was modified and verified for marine SCR reactors. The three-dimensional numerical simulations in this study indicate that the NO removal in the staged catalyst substrate varies depending on the catalyst configuration, primarily due to differences in the upstream flow uniformity. This study demonstrates that relocating a single catalyst substrate to the downstream position improved conversion by 6.5 percentage points, while a two-stage catalyst configuration yielded a 15.5 percentage-point increase under identical exhaust conditions. In addition, the residence time exhibited significant variations depending on the catalyst arrangement and inlet velocity, highlighting it as a critical parameter governing NO reduction performance. The findings in the present study can serve as a reference for future analyses conducted under practical conditions in industrial-scale marine SCR systems. Catalysis ; Monolith ; Inlet ; Exhaust gas ; Flow (mathematics) ; Substrate (aquarium) ; Selective catalytic reduction ; Computational fluid dynamics ; Mass transfer Catalytic Processes in Materials Science ; Industrial Gas Emission Control ; Aerosol Filtration and Electrostatic Precipitation
Authors: Woonghee Cho | Kiwan Nam | Yeochan An | You Young Kim | Myung-Hwa Jung | Kee Hoon Kim | Je-Geun Park
Source: ArXiv.org (article, 2026-03-27)
Field: Materials Science — Materials Chemistry

Composition-dependent bulk properties of intercalated transition metal dichalcogenides $Co_{1/3(1\pmδ)}NbS_{2}$ We report a systematic study of the composition-dependent bulk properties in $Co_{1/3(1\pmδ)}NbS_{2}$ single crystals across a series of precisely controlled cobalt compositions with -4%<$δ$<8%. By tuning the cobalt stoichiometry, we find that the topological Hall effect is critically sensitive to the intercalant cobalt composition and is completely suppressed when the cobalt composition exceeds $δ$=+4%. We observe that the longitudinal conductivity is also strongly influenced by the cobalt composition, reaching its maximum value just before the disappearance of the topological Hall effect. Furthermore, heat capacity measurements reveal distinct Sommerfeld coefficients ($γ$) across different compositions, which exhibit a clear linear scaling with the inverse of the ordinary Hall coefficient ($R_H^{-1}$). These results demonstrate that composition tuning in $Co_{1/3(1\pmδ)}NbS_{2}$ systematically modifies the low-energy electronic degree of freedom, moving beyond a simple dilute impurity picture. Finally, we use the microscopic spin Hamiltonian to explain the stability of experimentally observed M-point modulation vector and the corresponding triple-Q magnetic order. Our findings highlight that the topological properties of this system are highly tunable through precise control of the intercalant concentration, offering a new perspective on the competition between electronic and magnetic orders in intercalated transition-metal dichalcogenides. Cobalt ; Inverse ; Scaling ; Hamiltonian (control theory) ; Hall effect ; Impurity ; Transition metal ; Metal 2D Materials and Applications ; Topological Materials and Phenomena ; Graphene research and applications
Authors: Wei Zhu | Congfu Zhang | Wenjuan Shi | di Ma | Hongjun Liu
Source: Photonics (article, 2026-04-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Brillouin Zone Folding-Induced Magnetic Toroidal Dipole Metasurfaces for Tunable Mid-Infrared Upconversion High quality factor (Q factor) resonant metasurfaces enable efficient mid-infrared (MIR) upconversion, yet their narrow operating bandwidths severely limit practical broadband detection and imaging applications. Although high Q magnetic toroidal dipole (MTD) modes exhibit outstanding momentum space (k-space) stability in linear optics, their application in nonlinear processes has primarily been confined to degenerate second-harmonic generation (SHG), leaving complex non-degenerate processes such as sum-frequency generation (SFG) largely unexplored. Here, we propose a tunable MIR upconversion platform based on an all-dielectric gallium phosphide (GaP) dimer metasurface. Breaking the in-plane symmetry to trigger Brillouin zone folding excites robust MTD quasi-guided modes (MTD-QGM), tightly confining the locally enhanced optical fields within the highly nonlinear GaP nanostructure. Synchronizing this high Q resonance with a spatially overlapping pump mode yields an exceptional SFG conversion efficiency of 7.9×10−4, successfully translating a 3101.8 nm MIR signal to the 903 nm near-infrared band. Crucially, the intrinsic k-space stability of the MTD-QGM enables continuous, broadband upconversion through simple angle tuning. This mechanism effectively overcomes the narrow-band limitations characteristic of typical symmetry-protected resonators, establishing a robust paradigm for room-temperature MIR detection. Photon upconversion ; Brillouin zone ; Nonlinear optics ; Nonlinear system ; Dipole ; Gallium phosphide ; Q factor ; Toroid ; Synchronizing ; Degenerate energy levels Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Acoustic Wave Phenomena Research
Authors: Ruyi Huang | Yuru Wang | Guanhua Long | Zirui Zhang | Tingzhi Wang | Zheng Fang | Yufan Chen | Wanyi Wang | Tianshun Bai | Meiqi Xi | Xiaowei He | Xuelei Liang | Shiwei Wang | Lian-Mao Peng | Youfan Hu
Source: Science Advances (article, 2026-03-06)
Field: Materials Science — Materials Chemistry

Flexible amplifier with &gt;100-dB voltage gain enabled by intrinsic gain singularity of carbon nanotube transistors For biointegrated flexible systems that acquire and process electrophysiological signals, amplifying weak biosignals from their original low amplitudes (ranging from microvolt to millivolt) to volt-level is essential for subsequent processing. Achieving this level of amplification requires a high voltage gain (>10<sup>5</sup> or 100 decibels for microvolt signals). However, realizing such gain in flexible circuits remains highly challenging because of constrained integration scale and limits in feasible circuit topologies. Here, we report flexible amplifiers that achieve ultrahigh gain by leveraging intrinsic gain singularities induced by negative differential resistance (NDR) effect in carbon nanotube-based transistors. The NDR behavior is investigated under various factors, including contacts, gate structures, and channel lengths. Guided by insights into the correlations between NDR characteristics and device-level parameters, a device-circuit codesign approach is implemented to build a flexible amplifier achieving a record-high gain of 104 decibels among all reported flexible amplifiers, with successful demonstration of electroencephalogram signals amplification. Amplifier ; High-gain antenna ; Automatic gain control ; Transistor ; Voltage ; Open-loop gain ; Electronic circuit ; Fully differential amplifier ; Carbon nanotube Carbon Nanotubes in Composites ; Mechanical and Optical Resonators ; Advanced Memory and Neural Computing
Authors: P. Rzepka | K. Mlekodaj | J. A. van Bokhoven
Source: Acta Crystallographica Section A Foundations and Advances (article, 2026-03-30)
Field: Chemistry — Inorganic Chemistry

Determining short- and long-range aluminium ordering in zeolite structures Aluminium ; Zeolite ; Work (physics) ; Aluminium oxide Zeolite Catalysis and Synthesis ; Muon and positron interactions and applications ; X-ray Diffraction in Crystallography
Authors: Siyu Zhao | Wenjun Cao | Chunchang Wang
Source: Small (article, 2026-02-09)
Field: Materials Science — Materials Chemistry

Inverse High‐Entropy Design Enables Superior Energy Storage in Moderate and High Electric Fields Dielectric capacitors are critical for pulsed power systems, yet their energy storage performance (ESP) requires further enhancement. While high-entropy design improves breakdown strength (E<sub>b</sub>), it often stabilizes a non-polar phase, limiting polarization (P<sub>m</sub>) and restricting high ESP to impractically high electric fields. Here, we propose an inverse high-entropy design strategy to overcome this limitation. Using the quasi-linear high-entropy ceramic Bi<sub>1/6</sub>Na<sub>1/6</sub>Sr<sub>1/6</sub>Ca<sub>1/6</sub>Li<sub>1/6</sub>La<sub>1/6</sub>TiO<sub>3</sub> (BNSCLLT) as a matrix, we incorporated the classical ferroelectric BaTiO<sub>3</sub> (BT) to precisely regulate the polar structure. Introducing BT successfully induced a weakly polar tetragonal phase within the primarily cubic matrix, promoting polar nanoregions and optimizing the polarization response. This strategy effectively balances a significant increase in P<sub>m</sub> with a controlled reduction in E<sub>b</sub>. Consequently, the 0.7BNSCLLT-0.3BT and 0.6BNSCLLT-0.4BT compositions achieved superior performance with W<sub>rec</sub> ∼ 10.9 J/cm<sup>3</sup>, η ∼ 88% at 600 kV/cm and W<sub>rec</sub> ∼ 11.6 J/cm<sup>3</sup>, η ∼ 86% at 580 kV/cm, respectively. Notably, the 0.5BNSCLLT-0.5BT composition also attained excellent ESP (W<sub>rec</sub> ∼ 9.8 J/cm<sup>3</sup>, η ∼ 80%) at a moderate field of 475 kV/cm. This work demonstrates the efficacy of the inverse high-entropy design in achieving high-performance energy storage across both high and moderate electric fields, offering a new paradigm for developing advanced dielectric materials. Dielectric ; Ferroelectricity ; Electric field ; Inverse ; Polar ; Polarization (electrochemistry) ; Capacitor ; Energy storage ; Limiting ; Permittivity Ferroelectric and Piezoelectric Materials ; Dielectric materials and actuators ; Inorganic Chemistry and Materials
Authors: Xiaotong Fan | Ziming Yao | Gongming Li | Zhong Chen | Yue Lin | Enguo Chen | Shuli Wang
Source: The Innovation Materials (article, 2026-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Efficiency enhancement in quantum dot-color-converted micro-LED full-color displays via nonradiative resonant energy transfer Energy transfer ; Quantum ; Energy (signal processing) ; Resonant inductive coupling ; Quantum dot ; Resonance (particle physics) Photochemistry and Electron Transfer Studies ; Photonic Crystals and Applications ; Advanced optical system design
Authors: Koki Takeuchi | Shunsuke Kato | Rina Ueshima | Takashi Hayashi
Source: Bulletin of the Chemical Society of Japan (article, 2026-01-31)
Field: Chemistry — Inorganic Chemistry

Directed evolution enhances the peroxidation activity of myoglobin reconstituted with an iron corrole complex Abstract Engineered hemoproteins incorporating synthetic metal porphyrinoids with non-natural tetrapyrrole frameworks are known to exhibit unique catalytic properties which are not observed in native hemoproteins. We previously reported the reconstitution of myoglobin with an iron corrole complex (Mb-FeCor) leading to unique catalytic activity in H2O2-dependent peroxidation. To optimize the amino acid sequence of the active site of myoglobin for this noncanonical corrole complex, we performed genetic engineering of Mb-FeCor based on the directed evolution methodology. After 3 rounds of directed evolution, a triple mutant Mb(L89F/H97F/I107F)-FeCor was obtained as a best-performing catalyst, exhibiting a 24-fold higher initial rate for ABTS peroxidation relative to the original Mb-FeCor. Furthermore, the kcat/KM value of this engineered variant was calculated to be 16 μM–1s−1, exceeding that of horseradish peroxidase (HRP, 0.12 μM–1s−1). These results demonstrate that combining synthetic porphyrinoid incorporation with directed evolution of a protein scaffold provides an efficient strategy for improving the catalytic activity of hemoprotein-based artificial metalloenzymes. Myoglobin ; Directed evolution ; Corrole ; Protein engineering ; Hemeprotein ; Tetrapyrrole ; Horseradish peroxidase ; Artificial enzyme ; Catalysis Metal-Catalyzed Oxygenation Mechanisms ; Hemoglobin structure and function ; Porphyrin and Phthalocyanine Chemistry
Authors: Du Li | Yuchang Liu | Kun Liang | Li Yu
Source: Nanomaterials (article, 2026-03-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Achieving Maximum Chirality and Enhancing Third-Harmonic Generation via Quasi-Bound States in the Continuum in Nonlinear Metasurfaces Chiral bound states in the continuum (BIC) metasurfaces have emerged as a promising platform for enhancing light-matter interactions, which have potential applications in advanced photonic and quantum information devices. However, simultaneously achieving near-perfect circular dichroism and highly efficient nonlinear conversion with highly symmetric structures in metasurfaces remains an open challenge. In this work, we design a C4-symmetric chiral metasurface composed of eight elliptical silicon nanorods on a SiO2 substrate, where monocrystalline silicon is used as the nonlinear optical material. By combining simulations and nonlinear time-domain coupled-mode theory (TCMT), we discovered that both the optimal chirality and the nonlinear conversion efficiency can be attained simultaneously due to the critical coupling between the metasurface mode and the quasi-BIC mode. Meanwhile, a near-perfect circular dichroism (CD = 0.99) and a high nonlinear conversion efficiency of 7×10-5 under a radiation intensity of 5kW/cm2 are numerically achieved due to the robustness of bound states in the continuum. This work offers a promising route toward high-performance chiral nonlinear photonic components, which is of great importance for the development of ultra-compact optical devices such as circular polarization detectors, chiral sensors, and nonlinear photonic chips for integrated optical and quantum information systems. Our research not only contributes to the fundamental understanding of chiral metasurfaces but also provides a practical approach for achieving high-efficiency nonlinear optical devices. Nonlinear system ; Photonics ; Circular dichroism ; Nanorod ; Nonlinear optics ; Chirality (physics) ; Circular polarization ; Coupled mode theory ; Polarization (electrochemistry) Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Acoustic Wave Phenomena Research
Authors: Ana Maria Valencia | Theresa Kuechle | Maximilian Tomoscheit | Sarah Jasmin Finkelmeyer | Olga O. Ustimenko | Kalina Peneva | Martin Presselt | Giancarlo Soavi | Caterina Cocchi
Source: RSC Applied Interfaces (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Photoluminescence quenching in WSe <sub>2</sub> <i>via</i> p-doping induced by functionalized rylene dyes Density-functional theory calculations identify p-doping and charge transfer as the driving mechanisms for the 97% photoluminescence quenching observed in WSe 2 monolayers decorated by functionalized rylene dyes compared to the pristine semiconductor. Photoluminescence ; Quenching (fluorescence) ; Monolayer ; Charge (physics) ; Fluorescence 2D Materials and Applications ; Graphene research and applications ; Organic Electronics and Photovoltaics