jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nimai Pathak | Abdulelah Alolayan | Kawsar Ali | Yuchen Zhang | Yuanbing Mao
Source: ChemPhysChem (article, 2025-07-16)
Field: Materials Science — Materials Chemistry

Achieving Multimodal and Multicolor Luminescence in LaAlO<sub>3</sub>:Pr<sup>3+</sup>, Gd<sup>3+</sup> via Trap Engineering and Energy Transfer Achieving multimodal luminescence within a single phosphor is vital for multifunctional applications but remains challenging due to complex color tuning and trap engineering. In this study, we report Pr<sup>3+</sup> and Gd<sup>3+</sup> co-doped LaAlO<sub>3</sub> (LAO:PG) phosphors, designed through careful modulation of multilevel traps and Pr<sup>3+</sup> → Gd<sup>3+</sup> energy transfer dynamics. These materials exhibit diverse luminescence modes, including down-conversion luminescence (DCL), up-conversion luminescence (UCL), persistent luminescence (PersL), optically stimulated luminescence (OSL), and thermally stimulated luminescence (TSL) across a wide spectral range. Unlike previously studied Pr<sup>3+</sup>-doped LAO, the co-doped LAO:PG shows DCL in both UV-visible and NIR regions and displays ultraviolet-C UCL under visible excitation. Notably, we observe, for the first time, PersL lasting several minutes in these phosphors-an improvement over the non-PersL behavior of Pr<sup>3+</sup> -only doped LAO. Additionally, the LAO:PG phosphors exhibit strong OSL response. TSL analysis reveals five distinct trap levels linked to these properties. Density functional theory calculations further correlate intrinsic defects to these traps, supporting a proposed mechanism for the observed multimodal luminescence. These findings highlight LAO:PG as a promising platform for developing advanced phosphors with integrated luminescence modes, paving the way for future applications in data storage, phototherapy, and anti-counterfeiting technologies. Luminescence ; Phosphor ; Persistent luminescence ; Doping ; Materials science ; Optically stimulated luminescence ; Energy transfer ; Optoelectronics ; Excitation ; Luminescent Measurements ; Photochemistry ; Analytical Chemistry (journal) ; Chemistry ; Thermoluminescence ; Chemical physics ; Physics Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials ; Radiation Detection and Scintillator Technologies
Authors: Ahmad Hussain | Nawishta Jabeen | Imtiaz Ahmad Khan | Muhammad Usman Khan | Muhammad Adnan Qaiser | Z.I. Zaki | Mohamed E. Khalifa
Source: Crystals (article, 2025-01-14)
Field: Materials Science — Materials Chemistry

Morphotropic Phase Boundary Region 0.7BiFeO3-0.3BaTiO3 Ceramics Exploration Under the Influence of the Incorporated Sn-Ions for Piezo/Ferro Applications In the field of piezoelectric applications, perovskite-based multifunctional composite ceramics are widely explored. The morphotropic phase boundary (MPB) regions, where dual structural phases coexist, play a crucial role in boosting the ferroelectric and piezoelectric properties significantly. Herein, MPB-region-existent 0.7BiFeO3-0.3BaTiO3 (BFBT) composite ceramic is investigated under the influence of wt%Sn-ion incorporation at the lattice sites of the BFBT. Specifically, the ceramic composition BFBT:0.2Sn has demonstrated excellent remnant polarization (Pr ~ 22.68 µC/cm2), an impressive piezoelectric coefficient (d33 ~ 211 pC/N), stable impedance of 1.07 × 107 Ω, a Curie temperature of 435 °C and low dielectric loss (tanδ) of &lt;0.5. Moreover, the BFBT:0.2Sn ceramic has also maintained a stable d33 of ~150 pC/N and resistivity of ~102 Ω even at a temperature of 400 °C. Such outcomes confirm the ability and potential of the BFBT:0.2Sn ceramic composition for high-temperature piezoelectric applications. Phase boundary ; Materials science ; Ceramic ; Piezoelectricity ; Curie temperature ; Dielectric ; Piezoelectric coefficient ; Ferroelectricity ; Ferroelectric ceramics ; Ion ; Composite number ; Mineralogy ; Phase (matter) ; Composite material ; Condensed matter physics ; Optoelectronics ; Chemistry ; Physics Ferroelectric and Piezoelectric Materials ; Multiferroics and related materials ; Dielectric properties of ceramics
Authors: Robert Mădălin Chivu
Source: Journal of Thermal Engineering (review, 2025-01-01)
Field: Chemistry — Analytical Chemistry

The use of turpentine as additive for diesel oil. A review This paper reviews research on the effects of substituting diesel oil with mixtures containing turpentine on the performance and emissions of internal combustion engines.Studies have shown that turpentine-diesel blends offer several potential benefits when used as fuel.In some cases, significant reductions of up to 10% in fuel consumption have been observed.Overall, pollutant emissions decreased, with reduction in smoke opacity exceeding 40%, as reported in some studies.Certain blends exhibited increased engine performance, potentially due to improved fuel atomization from the lower viscosity of the mixture.Additionally, studies have documented thermal efficiency gains exceeding 3% in specific cases.However, the effectiveness of these blends is highly dependent on several factors, including the source of the turpentine (its geographic origin can significantly impact its properties and suitability for blending); the injection pressure (which is crucial for maximizing the benefits of the blend) and the proportion of the turpentine in the mixture (which significantly influences the observed effects). Turpentine ; Diesel fuel ; Environmental science ; Mathematics ; Statistics ; Waste management ; Engineering ; Chemistry Petroleum Processing and Analysis ; Biodiesel Production and Applications ; Catalysis and Hydrodesulfurization Studies
Authors: Guillaume Rayrat | Alexis Onfroy | Christelle Bilot | Frédéric Bernard | S. Lemonnier | Fabian Delorme | Charles Manière | Christelle Harnois | Sylvain Marinel
Source: Journal of the European Ceramic Society (article, 2025-02-04)
Field: Chemistry — Organic Chemistry

A new sinter-forging process based on a 915 MHz solid-state microwave source for sintering of oxides ceramics Materials science ; Sintering ; Forging ; Ceramic ; Solid-state ; Microwave ; Metallurgy ; Process (computing) ; Engineering physics ; Computer science ; Engineering ; Operating system ; Telecommunications Microwave-Assisted Synthesis and Applications ; Advanced ceramic materials synthesis ; Microwave Dielectric Ceramics Synthesis
Authors: Khalid Abich | R. Masrour | Abdelilah Akouibaa | M. Benhamou
Source: Advanced Theory and Simulations (article, 2025-07-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Study of Optical and Thermoplasmonic Properties of Silica‐Core/Gold‐Shell Nanoparticles Integrated within Cell Organelles: A Finite Element Method Abstract Photothermal therapy (PTT) using gold nanoparticles (GNPs) represent a promising innovation in biomedical treatment. Due to their unique optical properties, particularly surface plasmon resonance (SPR), gold nanoparticles can be activated by light to selectively destroy harmful cells, such as cancer cells, through heat generation. To enhance thermoplasmonic performance, gold nanoparticles can be combined with dielectric materials like silica (SiO₂) to form core/shell nanoparticles (). These structures show superior light‐to‐heat conversion compared to pure Au nanospheres, offering less invasive and more efficient cancer therapies. In this study, using the Finite Element Method (FEM), the optical and thermoplasmonic behavior of nanoparticles embedded in various subcellular locations—lysosome, membrane, mitochondria, nucleus, cytoplasm, and extracellular medium is investigated. It is analyzed how structural parameters like core radius and shell thickness affect surface plasmon resonance‐induced absorption and resulting heat generation. To evaluate their photothermal efficiency, the absorption efficiency, electric field enhancement, and local temperature rise are computed. These findings show that the optical and thermal responses of nanoparticles are strongly influenced by both nanoparticle structure and cellular localization. Notably, by tuning nanoparticles geometry and choosing appropriate target organelles, one can optimize laser parameters and thermal output, enabling highly effective and customizable photothermal therapy strategies for cancer treatment. Finite element method ; Organelle ; Shell (structure) ; Core (optical fiber) ; Materials science ; Colloidal gold ; Nanoparticle ; Nanotechnology ; Composite material ; Chemistry ; Engineering ; Structural engineering Gold and Silver Nanoparticles Synthesis and Applications ; Nonlinear Optical Materials Studies ; Nanoparticle-Based Drug Delivery
Authors: Jian Sun | Xiaolu Xu | Su‐Huai Wei | Yanbao Yu
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-05-28)
Field: Chemistry — Spectroscopy

In-cell Proteomics Enables High-Resolution Spatial and Temporal Mapping of Early <i>Xenopus tropicalis</i> Embryos Early embryonic development requires tightly regulated molecular programs to coordinate cell division, fate specification, and spatial patterning. While transcriptomic profiling is widely performed, proteomic analyses of early vertebrate embryos remain limited due to technical challenges in embryonic sample preparation. Here, we propose an "in-cell proteomics" approach, which bypasses cell lysis and yolk depletion, processes individual embryos directly in functionalized filter devices, and generates liquid chromatography-mass spectrometry (LC-MS)-friendly samples in an extremely robust and streamlined manner. Combined with a single-shot data-independent acquisition (DIA) MS workflow, this approach enabled us to consistently quantify ~6,200 proteins from a single <i>Xenopus tropicalis</i> embryo, representing the deepest proteomic coverage of early <i>X. tropicalis</i> development reported to date. Investigation of the temporal proteomes across five cleavage stages (1- to 16-cell) revealed a drastic proteomic shift between 2- and 4-cell stages, followed by more gradual transitions thereafter. Spatial analysis of dissected 8-cell blastomeres uncovered pronounced molecular asymmetry along the animal-vegetal axis, while dorsal-ventral differences were minimal. This study establishes a novel in-cell proteomics technology in conjunction with DIA-MS as a robust platform for high-resolution, low-input developmental proteomics analysis, and provides a comprehensive spatiotemporal protein atlas for early <i>X. tropicalis</i> embryos. Xenopus ; Embryo ; Computational biology ; Proteomics ; Cell biology ; Biology ; Computer science ; Genetics ; Gene Advanced Proteomics Techniques and Applications ; Genetics, Aging, and Longevity in Model Organisms ; Protist diversity and phylogeny
Authors: Prem Ananth R | Hashim Elshafie | Suresh Babu Changalasetty | Azath Mubarakali
Source: ECS Journal of Solid State Science and Technology (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Optimizing Thermal Characteristics and Mobility in Sub-10 nm β-(Al<sub>x</sub>Ga<sub>1−x</sub>)<sub>2</sub>O<sub>3</sub>/Ga<sub>2</sub>O<sub>3</sub> Tri-Metal MODFETs for Advanced Biosensing Applications This study assesses the thermal characteristics and electron mobility of sub-10 nm β -(AlxGa1−x) 2 O 3 /Ga 2 O 3 tri-metal gate field-effect transistors (MODFETs). Using ultra-high vacuum deposition and plasma-assisted molecular beam epitaxy, we developed a novel device with a 10 nm Al 2 O 3 layer and a 230 nm Ga 2 O 3 layer. The research investigates the impact of self-heating on device performance, particularly in devices with Ga 2 O 3 layers thinner than 10 nm. Our results show that reducing the Ga 2 O 3 layer thickness significantly decreases thermal conductivity, leading to higher temperatures and reduced electron mobility due to increased phonon scattering. Additionally, we examined the effects of inter-layer metal thickness (TM) and channel dimensions on thermal and mobility performance. The study explores the potential of β -(AlxGa1−x) 2 O 3 /Ga 2 O 3 MODFETs in biosensing, highlighting their excellent electronic properties, sensitivity to surface charge modulation, and scalability. These findings emphasize the need to optimize layer thickness and implement effective thermal management strategies to enhance the performance, efficiency, and reliability of sub-10 nm Ga 2 O 3 -based MODFETs in high-power and biosensing applications. Materials science ; Thermal ; Metal ; Optoelectronics ; Nanotechnology ; Engineering physics ; Thermodynamics ; Metallurgy ; Engineering ; Physics Ga2O3 and related materials ; Semiconductor materials and devices ; ZnO doping and properties
Authors: Nasrin Taheri Andani | Shiva Mohajerani | Alireza Behvar | Keyvan Safaei | Ahu Çelebi | Mohammad Elahinia
Source: Shape Memory and Superelasticity (article, 2025-09-08)
Field: Materials Science — Materials Chemistry

Exploring the Impact of Scan Strategies on the Superelastic Behavior of NiTi Alloys Fabricated by Laser Powder Bed Fusion Abstract This study examines the impact of laser powder bed fusion (LPBF) scan strategies on the superelastic (SE) behavior of NiTi shape memory alloys (SMAs), with a particular focus on the distribution of residual stress, phase transformation characteristics, and microstructural evolution. Five unique scan strategies, including spatially varied island and hexagonal patterns and rotation angles (45°, 67°, 90°), were implemented to produce specimens with a consistent energy input. The mechanical response was assessed using compression experiments in conjunction with digital image correlation, while the crystallographic texture and phase transformation temperatures were characterized using electron backscatter diffraction (EBSD) and differential scanning calorimetry (DSC). The results indicated that the 90° rotation strategy resulted in a robust &lt; 001 &gt; fiber texture, which in turn resulted in a superior SE recovery (~ 6%) and minimal plastic strain. In contrast, the hexagonal and island strategies, despite reducing transformation onset stress, exhibited incomplete recovery and retained martensite as a result of elevated austenite end temperatures (~ 32–34 °C). These strategies were found to promote equiaxed grains with a weakened texture, as evidenced by the EBSD analysis and the lower residual stress levels that were confirmed through indentation-based estimation. This work emphasizes the importance of scan path design as a critical process parameter, as it allows for the customization of functional behavior in NiTi alloys without affecting the alloy chemistry or energy input. Consequently, it provides new opportunities for the application-specific optimization of shape memory materials. Nickel titanium ; Shape-memory alloy ; Electron backscatter diffraction ; Martensite ; Residual stress ; Texture (cosmology) ; Austenite ; Fusion ; Equiaxed crystals Shape Memory Alloy Transformations ; High Entropy Alloys Studies ; Additive Manufacturing Materials and Processes
Authors: Sanjay Saini | Amit P. Srivastava | P. S. Ghosh | Archna Sagdeo | A.K. Ghosh | D. Arvindha Babu | S.V. Madge | Suman Neogy
Source: Journal of Materials Science (article, 2025-09-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Investigation of microstructural and magnetic property evolution in mechanically milled Co–Zr metallic ribbon Zr2Co11 has emerged as a promising candidate for rare-earth-free magnetic materials with the exceptional energy products in thin-film nanocomposites. Despite this, its potential in bulk magnet form remains largely unexplored. Powder metallurgy offers a promising route to fabricate these alloys in bulk magnet form with controlled microstructure and soft and hard magnetic phase distribution essential for optimizing magnetic properties. This study investigates the effects of mechanical milling on the microstructure, and magnetic properties of a metallic ribbon having composition of Co85Zr15, aiming toward development of novel permanent magnet material. The microstructure and phase composition of both the as-cast ribbon and the milled powder samples were characterized using transmission electron microscopy (TEM) and synchrotron X-ray diffraction (XRD). The as-cast ribbon predominantly consists of the hard magnetic Zr2Co11 phase along with a soft magnetic Zr6Co23 phase. TEM analysis confirmed that mechanical milling reduced the ribbon to fine particles with an average size of 11 nm after 14 h of milling. With the increase in milling duration, the saturation magnetization was found to increase whereas the coercivity was found to decreases. This study shows that milling has a significant impact on the exchange coupling between soft and hard magnetic phases at nanoscale. To rationalize the experimental observations, first-principles calculations were performed considering rhombohedral structure of Zr2Co11 to estimate the change in the total magnetic moments in the unit cell as a function of isotropic compression/expansion, as well as to examine the effect of off-stoichiometry and defect formation. The ball milling process parameters were optimized to achieve particle sizes close to the critical size of the soft and hard magnetic phases (~ 11 nm) required for effective magnetic coupling between the two so as to manifest the exchange spring behavior in nanocomposite magnets. Materials science ; Ribbon ; Solid mechanics ; Metal ; Metallurgy ; Composite material Magnetic Properties of Alloys ; Metallic Glasses and Amorphous Alloys ; Magnetic Properties and Applications
Authors: Haifeng Xu | Danni Yang | Wei Li | Zhengxiao Guo | Yinghonglin Liu
Source: Materials (article, 2025-08-22)
Field: Materials Science — Materials Chemistry

Origin of Bilinear Low Cycle Fatigue in Ti-6Al-4V Alloy: A Crystal Plasticity Study This study resolves the long-standing question of the origin of bilinear Low Cycle Fatigue (LCF) behavior in Ti-6Al-4V using a high-fidelity CPFEM-XFEM framework. We identify that the fundamental origin lies in a fundamental shift in the efficiency of converting macroscopic energy dissipation into microscopic damage. This energetic efficiency is directly governed by the evolution of plastic strain heterogeneity (quantified by the Coefficient of Variation, CV). At low strain amplitudes, high strain localization (high CV) creates a highly efficient "energy funnel," concentrating dissipated energy into a few critical grains. This manifests physically as a single-crack failure mode, where the crack initiation phase is prolonged, consuming ~80% of the total fatigue life. Conversely, at high strain amplitudes, deformation homogenization (low CV) leads to inefficient, diffuse energy dissipation across many grains. The material must therefore activate a more drastic failure mechanism-multi-site crack initiation and coalescence-to accumulate sufficient damage, reducing the initiation phase to just ~45% of the total life. Therefore, the bilinear C-M curve is the macroscopic signature of this transition from an energetically efficient, localized damage mode to an inefficient, distributed one. This work provides a quantitative, mechanism-based framework for understanding and predicting the complex fatigue behavior of advanced metallic materials. Materials science ; Crystal plasticity ; Alloy ; Plasticity ; Low-cycle fatigue ; Crystal (programming language) ; Metallurgy ; Composite material ; Computer science High-Velocity Impact and Material Behavior ; Fatigue and fracture mechanics ; Microstructure and mechanical properties
Authors: Juan Wang | Haijun Zhang | Bing Zhou | Zhong Yang
Source: Metals (article, 2025-05-22)
Field: Materials Science — Materials Chemistry

Microstructural Synergy of ZrC-NbC Reinforcements and Its Coupled Effects on Mechanical and Dynamic Properties of Titanium Matrix Composites In aerospace applications, titanium matrix composites (TMCs) must balance high strength, thermal stability, and vibration resistance. This study investigates the microstructural evolution and multi-property correlations in single-phase ZrC-reinforced (TMC1) and dual-phase ZrC-NbC-co-reinforced (TMC2) TMCs via SEM/TEM, XRD, tensile testing, and ANSYS simulations. The in situ reaction (Ti + ZrC/NbC → TiC + Zr/Nb) and NbC-induced grain boundary pinning drive microstructural optimization in TMC2, achieving 30% higher reinforcement homogeneity and 5 μm grain refinement from 15 μm to 10 μm. TMC2’s tensile strength reaches 1210 MPa, a 15% increase over TMC1, with an elongation at a break of 4.74%, 2.2 times that of TMC1. This performance stems from synergistic Hall–Petch strengthening and nano-TiC dispersion strengthening. Modal simulations show TMC2 exhibits a first-mode natural frequency of 98.5 kHz, 1.1% higher than TMC1’s 97.4 kHz, with maximum displacement reduced by 2.3%. These improvements correlate with TMC2’s elevated elastic modulus (125 GPa vs. 110 GPa) and uniform mass/stiffness distribution. The ZrC-NbC synergy establishes a microstructural framework for the concurrent enhancement of static and dynamic properties, offering critical insights for a high-performance TMC design in extreme environments. Materials science ; Composite material ; Reinforcement ; Titanium ; Matrix (chemical analysis) ; Metallurgy Titanium Alloys Microstructure and Properties ; Aluminum Alloys Composites Properties ; Advanced materials and composites
Authors: Xiuqi Li | Shupeng Liu | Mengyang Yu | Wanlin Xi | Xiaofei Wu | Dan Liu | Aijing Liu | Hongyun Wang
Source: Drug Design Development and Therapy (article, 2025-02-01)
Field: Chemistry — Analytical Chemistry

Simultaneous Determination of Multiple Acid-Suppressing Drugs by UPLC-MS/MS Method and Application for Pharmacokinetics Study The method exhibited excellent linearity across the ranges of 0.2-200 ng/mL for PPIs and 0.5-500 ng/mL for the P-CAB. Both intra- and inter-day precision and accuracy were within the acceptance criteria, with precision ranging from 1.1% to 14.6% and accuracy ranging from 0.0% to 14.7%. Extraction recoveries were consistent, ranging from 88.1% to 96.7%, with no significant matrix effects observed. The stability of the six analytes under diverse storage and processing conditions was also confirmed, with both precision and accuracy falling within the acceptable range of 15%. The UPLC-MS/MS assay provided an efficient and reliable approach for the simultaneous determination of six acid-suppressing medications in a single analytical run. It has been successfully applied to the pharmacokinetic studies of PPIs and P-CABs, offering a valuable tool for clinical research and therapeutic drug monitoring. Pharmacokinetics ; Chromatography ; Pharmacology ; High-performance liquid chromatography ; Chemistry ; Medicine Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Chemical and Physical Properties in Aqueous Solutions