jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: A. A. Santana | José dos Santos | Jonatas de Oliveira Souza Silva | Kelcilene B. R. Teodoro | Daniel S. Côrrea | Rodolfo M.M. Santana | Luiza A. Mercante
Source: Macromolecular Materials and Engineering (article, 2025-09-28)
Field: Materials Science — Biomaterials

Colorimetric Detection of Nickel Ions Using Bacterial Nanocellulose Paper‐Based Strips ABSTRACT Bacterial nanocellulose (BNC) has proven to be an excellent platform for developing sustainable optical (bio)sensors due to its exceptional properties, including optical transparency, high porosity, and large surface area. These features enable uniform dye distribution, thereby mitigating issues commonly found in paper‐based devices, such as low dye immobilization and non‐uniform color response. Herein, we report a simple, affordable (∼$0.03/strip) BNC‐based colorimetric strip for detecting Ni 2+ ions using digital image analysis. The strips were prepared by functionalizing BNC membranes with the dye 4‐(2‐thiazolylazo)resorcinol (TAR), a complexing agent widely used for the detection of metal ions. Physicochemical characterization confirmed the presence of a porous, interconnected nanofiber network and a hydroxyl‐rich surface, which enabled effective and uniform dye incorporation. The BNC@TAR strips exhibited a linear response up to 10 mg L −1 and a limit of detection of 0.18 mg L −1 . The sensor fabrication process was highly reproducible, and the strips exhibited long‐term stability, maintaining their analytical performance even after 40 days of storage. The strips were also applied to real water analysis, yielding recovery values ranging from 93.1% to 103.4%. These findings support the potential of BNC as a sustainable substrate for developing low‐cost, disposable colorimetric sensors for on‐site environmental monitoring. Nanocellulose ; STRIPS ; Fabrication ; Detection limit ; Metal ions in aqueous solution ; Colorimetry ; Nickel ; Membrane Advanced Cellulose Research Studies ; Polydiacetylene-based materials and applications ; Biosensors and Analytical Detection
Authors: Terry Poprara
Source: Science Insights (article, 2025-10-30)
Field: Materials Science — Polymers and Plastics

Smart Materials That Self-Heal or Adapt to Environmental Stimuli The development of smart materials capable of self-healing or adapting to environmental stimuli represents one of the most transformative advances in material science. These materials, ranging from polymers and composites to bio-inspired hydrogels, offer the potential to dramatically enhance durability, safety, and efficiency across industries, including aerospace, construction, electronics, and healthcare. Self-healing materials can autonomously repair structural damage, extend product lifespan and reduce maintenance costs, while adaptive materials respond dynamically to changes in temperature, pressure, light, pH, or mechanical stress, optimizing performance in real time. The integration of such capabilities into engineering, biomedical devices, and consumer products challenges traditional paradigms of design and maintenance, demanding new manufacturing processes and theoretical models. This article explores the principles, mechanisms, and emerging applications of smart materials, highlighting their capacity to transform technological landscapes, foster sustainability, and inspire a future in which materials are no longer passive but actively interact with their environment. Smart material ; Transformative learning ; Product (mathematics) ; Adaptation (eye) ; New product development ; Emerging technologies Polymer composites and self-healing ; Hydrogels: synthesis, properties, applications ; Advanced Materials and Mechanics
Authors: Zeeshan Mustafa | Dhruva Kumar | Bibhu P. Swain | B. B. Pradhan | Ranjan Kumar Ghadai
Source: Scientific Reports (article, 2025-12-07)
Field: Materials Science — Materials Chemistry

Role of rGO in improving the mechanical and thermal performance of PANI/graphene nanocomposites Reduced graphene oxide (rGO) is a potential reinforcement for polyaniline (PANI) owing to its high stiffness, thermal stability, and intrinsic lubricity. Considering this, the present study investigates the effect of rGO content on the mechanical, tribological, and thermal properties of Polyaniline/rGO (PANI/G) nanocomposites (NCs) synthesized via in-situ oxidative polymerization with systematically varied rGO content (0.01-0.10 wt%). The samples were then characterized using Scanning Electron Microscopy and Energy Dispersive X-ray Spectroscopy (EDX). Nanoindentation and nanoscratch testing revealed that hardness, modulus, and wear resistance enhanced with increasing rGO content, while the elastic-plastic indices (H/E and H<sup>3</sup>/E<sup>2</sup>) decreased, suggesting a trade-off between stiffness and recoverability. Complementary thermogravimetric analysis (TGA) demonstrated that higher rGO loading (0.10 wt%) improved thermal stability by delaying the onset of degradation and reducing overall weight loss, underscoring the multifunctional reinforcing attribute of rGO. The combined results established that an optimized rGO concentration not only enhances surface mechanical integrity but also significantly improves resistance against thermal decomposition, making PANI/G NCs a potential candidate for structural, protective coating, and high-temperature electronic applications. Thermogravimetric analysis ; Graphene ; Nanocomposite ; Nanoindentation ; Thermal stability ; Oxide ; Polyaniline ; Scanning electron microscope Graphene research and applications ; Conducting polymers and applications ; Tribology and Wear Analysis
Authors: Raffaele Barbagallo | Grazia Lo Sciuto | Giuseppe Mirone
Source: Journal of Dynamic Behavior of Materials (article, 2025-10-30)
Field: Materials Science — Materials Chemistry

Gaussian Process Regression for Constitutive Modeling of Austenitic Stainless Steel Under Various Strain Rates and Temperatures Abstract This study presents an advanced framework for developing a mechanical behavior model of a structural material based on experimental data. In particular, mechanical tensile tests on cylindrical specimens of A2-70 austenitic stainless steel were conducted at different temperatures at quasi-static, intermediate, and high strain rates making use of an electromechanical testing machine, a servo-hydraulic machine, and a direct-tension split Hopkinson tension bar. The neuronal Gaussian process regression (GPR) algorithm based on the experimental strain, strain rate, and temperature of each test is proposed to predict the constitutive stress–strain behavior of austenitic stainless steel at hand, with the stress data used as target. The adopted GPR framework demonstrated considerable accuracy in reproducing the experimental results, proving to be a reliable tool for modeling the tensile mechanical behavior of structural materials. Austenitic stainless steel ; Solid mechanics ; Constitutive equation ; Ultimate tensile strength ; Strain rate ; Tensile testing ; Tension (geology) ; Austenite ; Stress (linguistics) High-Velocity Impact and Material Behavior ; Metallurgy and Material Forming ; Metal Forming Simulation Techniques
Authors: Weiwei Zhao | Hongkun Ma | Zixuan Wang | Benjamin Grégoire | Lin Ao | Siyuan Dai | Xue-Feng Lin | Ting Liang | Jie Chen | Tongtong Zhang | Yulong Ding
Source: Advanced Composites and Hybrid Materials (article, 2025-02-01)
Field: Materials Science — Materials Chemistry

Understanding double perovskite BCNF as a CO2 splitting catalyst for industrial decarbonisation Abstract The foundation industry, particularly the steel sector, is one of the major sources of global CO 2 emissions, with each ton of steel produced using iron ores contributing approximately 1.4 (direct reduced iron-based process) to 2 (blast furnace-based process) tons of CO 2 , with ironmaking accounting for approximately 70% of these emission. Here, we present a study on the potential of using a double perovskite, Ba 2 Ca 0.66 Nb 0.34 FeO 6-δ (BCNF), as a CO 2 splitting catalyst that converts CO 2 into carbon monoxide (CO), a reducing agent in ironmaking, which can be reintegrated into the ironmaking process to enable ‘in-process’ decarbonisation and facilitate close-loop carbon recirculation. The study combines thermodynamic modelling, molecular dynamics simulations, material characterisation, and lab-scale experimental system design, demonstrating the efficiency and practicality of the use of BCNF for CO 2 emission reduction at a moderate temperature range. Simultaneous Thermal Analysis and COMSOL-based simulations were employed to optimise reactor design, maximising CO yield. An economic analysis further supports the scalability of this technology for decarbonising the steelmaking industry, which bears significance with the broader applicability to other foundation industrial sectors, including non-ferrous metal smelting, cement, glass, ceramics, and chemicals. This innovation offers a promising pathway towards sustainable industrial practices and contributes to global efforts to address climate change challenges. Graphical Abstract Steelmaking ; Smelting ; Blast furnace ; Environmental science ; Process (computing) ; Carbon monoxide ; Process engineering ; Catalysis ; Engineering ; Materials science ; Computer science ; Chemistry ; Metallurgy Advancements in Solid Oxide Fuel Cells ; Chemical Looping and Thermochemical Processes ; Catalysis and Oxidation Reactions
Authors: Getachew Tizazu | Habtamu Mengesha | Abera Senay
Source: Research Square (preprint, 2025-07-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Effect of Synthesis Conditions on the Plasmon Resonance Peak of Silver Nanoparticles Surface plasmon resonance ; Nanoparticle ; Plasmon ; Silver nanoparticle ; Resonance (particle physics) ; Materials science ; Nanotechnology ; Optoelectronics ; Physics ; Atomic physics Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticles: synthesis and applications ; Laser-Ablation Synthesis of Nanoparticles
Authors: Muhammad Amir Khan | Zahid Ullah | Sabahat Gul | Muhammad Noman | Samee Ullah | Murtaza Shahab
Source: London journal of physics. (article, 2025-05-27)
Field: Materials Science — Materials Chemistry

Remarkable Thermoelectric and Magnetic Properties of Anti-Perovskite MgCNi₃ This study employs first-principles calculations based on density functional theory (DFT) with the GGA+U approximation to examine the structural, electronic, magnetic, and thermoelectric properties of MgCNi₃. The results reveal that MgCNi₃ is a weak ferromagnetic and metallic material, characterized by strong covalent bonding and a net magnetic moment of 0.15 μB per formula unit. Spin-polarized calculations further indicate that the material exhibits a non-zero magnetization, with the spin-up and spin-down electron densities showing distinct distributions. The thermoelectric evaluation demonstrates remarkable energy conversion efficiency, with a significant Seebeck coefficient and high figure of merit (ZT) across temperatures ranging from 300K to 900K. The ZT plot suggests that P-type doping may offer the best performance. These findings provide critical insights into the material’s potential for applications in thermoelectrics, superconductors, and spintronics, emphasizing its suitability for integration into advanced functional devices. Thermoelectric effect ; Materials science ; Perovskite (structure) ; Condensed matter physics ; Engineering physics ; Business ; Physics ; Crystallography ; Chemistry ; Thermodynamics Thermal Expansion and Ionic Conductivity ; Advanced Thermoelectric Materials and Devices ; Magnetic and transport properties of perovskites and related materials
Authors: Yiqi Wang | Yongchul G. Chung | Weixiong Wu | Wei Li | Song Li
Source: Advanced Energy Materials (article, 2025-11-28)
Field: Chemistry — Inorganic Chemistry

Bridging the Gap Between Materials and Engineering: Large‐Scale Screening of Metal–Organic Frameworks for Adsorption Cooling From Device Level ABSTRACT Current screening of metal–organic frameworks (MOFs) for adsorption cooling through either experimental or computational approaches is only focused on their adsorption performance from the material level based on the ideal thermodynamic cycle. However, practically potential MOFs for adsorption cooling require not only super adsorption capacity from the material science level but also excellent heat and mass transport performance from the device level. Aiming to bridge the gap between materials and engineering, a multiscale evaluation strategy is developed to assess the adsorption cooling performance of MOFs by integrating their dynamic heat and mass transport performance at the device level. The high accuracy of the predicted coefficient of performance (COP) from the device level highlights the significance of such a multiscale approach. The identified MOF candidates with outstanding gas adsorption and heat transfer performance ensure high‐efficiency adsorption‐desorption cycles of the adsorption cooling system, fulfilling the high energy and power density requirements. This study bridges the gap between material science and engineering applications by developing a multiscale model that integrates both mass and thermal transport characteristics into the screening of MOFs for adsorption cooling. Such an innovative approach revolutionizes MOF evaluation methodologies through multidimensional criteria, advancing cross‐disciplinary MOF design paradigms. Bridging (networking) ; Adsorption ; Cooling capacity ; Thermal conductivity ; Thermal ; Mass transfer ; Metal-organic framework ; Heat transfer Metal-Organic Frameworks: Synthesis and Applications ; Carbon Dioxide Capture Technologies ; Adsorption and Cooling Systems
Authors: Tanju Yildirim | Boqing Liu | Deena Baines | Yuerui Lu
Source: npj 2D Materials and Applications (article, 2025-12-12)
Field: Materials Science — Materials Chemistry

Nanoscale engineering of non-uniform biaxially strained domes Abstract Strain engineering in two-dimensional (2D) materials enables control over topological states, carrier behaviour, and bandgap properties, opening new functionalities for nanodevices. A core need toward advanced applications is stable, atomically thin 2D structures which sustain large strains. Among various strained architectures, nanoscale non-uniform biaxially strained domes, which form when either gases, liquids, or contaminants are trapped beneath 2D crystals are a promising candidate. Domes manifest due to the interplay between elasticity, trapped matter, and van der Waals forces. This review summarises dome fabrication strategies, including top-down and bottom-up approaches, highlighting proton irradiation as a promising route for spatially patterned, highly pressurised domes with varying geometry and well-defined strain profiles. Domes exhibit constant height-to-radius ratios and stable strain profiles and serve as platforms for probing pseudomagnetic fields, exciton transport, adhesion mechanics, etc. Large non-uniform biaxial strain makes 2D domes promising candidates for next-generation nanodevices, which exhibit advanced material properties. Nanoscopic scale ; Strain engineering ; van der Waals force ; Fabrication ; Dome (geology) ; Strain (injury) ; Core (optical fiber) 2D Materials and Applications ; Electronic and Structural Properties of Oxides ; Graphene research and applications
Authors: Xiandong Xu | Sergey V. Erohin | Konstantin V. Larionov | Cheng, Q. | Bin Gan | Nasibulin, Albert | Павел Б. Сорокин
Source: ArXiv.org (preprint, 2025-08-09)
Field: Materials Science — Materials Chemistry

Unveiling the Puzzle of Brittleness in Single Crystal Iridium Materials for extreme environments require high strength yet ductile to tolerate catastrophic damage. Face-centered cubic (FCC) metals are typically ductile under stress, but single-crystal FCC iridium exhibits intrinsically brittle, limiting its wider applications. Great efforts on theoretical studies have attributed this to non-planar dislocation cores or impurities, while direct experimental evidence has remained elusive. Here we report that high-density, sessile Frank dislocation loops with zero-net Burgers vectors are the primary cause of the brittleness, identified through atomic-resolution scanning transmission electron microscopy. Through first-principles calculations, supported by discrete dislocation dynamics simulations, we reveal that these loops form via an energetically favorable transformation from mixed perfect dislocations under stress, a process unique to iridium among other FCC metals. The immobile loops act as potent barriers, drastically increasing yield strength and work hardening by impeding dislocation glide and consuming mobile dislocations. These decisive results not only deepen the understanding of the iridium brittleness, but also describe the existence of a new embrittlement mechanism inherent to the FCC lattice and not previously described in the literature. The latter may enable novel routes for property tuning across a broad class of materials, which is of paramount importance to metallurgical technology Brittleness ; Dislocation ; Iridium ; Burgers vector ; Single crystal ; Hardening (computing) ; Thermal stability Microstructure and mechanical properties ; Advanced Electron Microscopy Techniques and Applications ; Fusion materials and technologies
Authors: Lin Guo | Mu Du | Jiaqian Li | Wei Li | Mingyang Yang | Gongming Xin
Source: Gels (article, 2025-06-19)
Field: Chemistry — Spectroscopy

Tensile Resistance and Fracture Mechanisms of Silica Aerogels Reinforced by Nanotube–Graphene Hybrid Networks Despite their outstanding thermal insulation and ultralight structure, silica aerogels suffer from inherent mechanical fragility, making the investigation of their mechanical behavior crucial for expanding their practical utility in advanced applications. To enhance their mechanical performance, this study introduces a dual-phase reinforcement strategy by anisotropically incorporating carbon nanotubes (CNTs) and graphene oxide (GO) sheets into the aerogel matrix. Using molecular dynamic simulations, we systematically investigate the tensile behavior and pore structure evolution of these hetero-structured composites. The results reveal a non-monotonic dependence of tensile strength on loading ratio, distinguishing three strain-dependent reinforcement regimes. High loading content (11.1%) significantly improves strength under low strain (0-26%), whereas low loading levels (1.8%) are more effective at preserving structural integrity under large strain (44-50%). Moderate loading (5.1%) yields balanced performance in intermediate regimes. While increasing carbon content reduces initial pore size by partially filling the framework, tensile deformation leads to interfacial debonding and the formation of larger pores due to CNT-GO hybrid structure interactions. This work elucidates a dual reinforcement mechanism-physical pore confinement and interfacial coupling-highlighting the critical role of nanostructure geometry in tuning strain-specific mechanical responses. The findings provide mechanistic insights into anisotropic nanocomposite behavior and offer guidance for designing robust porous materials for structural and functional applications. Materials science ; Ultimate tensile strength ; Aerogel ; Composite material ; Nanocomposite ; Graphene ; Carbon nanotube ; Deformation (meteorology) ; Oxide ; Porosity ; Nanotechnology Aerogels and thermal insulation ; Supercapacitor Materials and Fabrication ; Advanced Cellulose Research Studies
Authors: Susai Rajendran
Source: Oriental Journal of Physical Sciences (article, 2025-12-30)
Field: Materials Science — Materials Chemistry

The corrosion characteristics of Containers Intended for Beverage Storage A beverage can, commonly referred to as a drink can, is a metal container that features a polymer lining, specifically designed to hold a defined quantity of liquids such as carbonated soft drinks, alcoholic beverages, fruit juices, teas, herbal infusions, energy drinks, and other types of liquids. Extensive research has been conducted in this field. This study examines the potential of using Ever Silver cans for storing apple juice that includes sugar and ice. It evaluates the corrosion resistance under various conditions, including a water system, an apple juice system, an apple juice system with sugar (5000 ppm), and an apple juice system that contains both sugar (5000 ppm) and ice (1 g). A study on polarization has been carried out to assess the corrosion resistance of Ever Silver under specific conditions. The findings indicate that apple juice containing added sugar is unsuitable for storage in Ever Silver containers. It is recommended that sugar be added only immediately before consumption. Sugar ; Corrosion ; Fruit juice ; Soft drink ; Beverage industry Corrosion Behavior and Inhibition ; Material Selection and Properties ; Medicinal Plant Studies
Authors: Asaad Faraj Hamzah
Source: International Journal of Bioscience and Biochemistry (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Prediction and experimental evaluation of silver nanoparticles chemical activities with O157:H7 E. Coli The increasing resistance of bacterial strains to conventional antibiotics has spurred the development of novel antimicrobial agents, with silver nanoparticles (AgNPs) emerging as a promising solution. This study focuses on the comparative analysis of actual and predicted antibacterial activities of AgNPs synthesized via a green route against Escherichia coli O157:H7. The environmentally friendly synthesis method ensured the production of biocompatible nanoparticles with a size distribution between 80 to 100 nm. Antibacterial testing revealed a clear trend of current reduction as the concentration of AgNPs increased from 20 µg/mL to 80 µg/mL, indicating effective bacterial inhibition. The rapid antibacterial response observed with increasing AgNP concentration highlights their potential as powerful antimicrobial agents. In addition to the experimental findings, predictive models were employed to forecast the antibacterial efficacy of the AgNPs. The predictions closely aligned with the actual experimental data, validating the reliability of computational simulations in assessing antimicrobial activities. This study underscores the significance of integrating green synthesis methods with predictive modeling to develop effective and sustainable antibacterial treatments. The results advocate for further research and application of green-synthesized AgNPs in combating resistant bacterial strains, emphasizing the potential of these nanoparticles as a viable alternative to traditional antibiotics. Silver nanoparticle ; Nanoparticle ; Chemistry ; Environmental chemistry ; Nanotechnology ; Materials science Thermal and Kinetic Analysis ; Inorganic and Organometallic Chemistry ; Free Radicals and Antioxidants