jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jose-I Beltrán-Larrotta | Juan Carlos Moreno-Piraján | Liliana Giraldo
Source: Computational and Structural Biotechnology Journal (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

New perspectives on the models of porous carbon Activated carbon is a versatile material widely used in applications such as water and air purification, energy storage, and catalysis. Its unique structure and properties are derived from an intricate process of carbonization and activation, which creates a complex porous network with varied chemical functionality. This article reviews recent advances in the experimental characterization of activated carbons, highlighting techniques such as X-ray diffraction, infrared spectroscopy, and high-resolution electron microscopy, which have enabled a deeper understanding of their microstructure. Additionally, theoretical models, including Grand Canonical Monte Carlo (GCM) simulations and Molecular Dynamics (MD), are discussed as they complement experimental findings and allow for the prediction of properties such as adsorption and pore size distribution. Finally, emerging trends in the design of activated carbon materials are explored, emphasizing their potential for sustainable applications in environmental remediation and advanced energy technologies. Environmental science ; Computational biology ; Computer science ; Biology Carbon Nanotubes in Composites ; Phase Equilibria and Thermodynamics ; Hydrocarbon exploration and reservoir analysis
Authors: Sivagnana Sundaram Anandakrishnan | Mikko Nelo | Mohadeseh Tabeshfar | Vadim Kraft | Neamul H. Khansur | Jani Peräntie | Yang Bai
Source: Materials Advances (article, 2025-01-01)
Field: Materials Science — General Materials Science

Influence of the permittivity between fillers and binders on the properties of upside-down composites for recycling purposes Upside-down composites have recently advanced towards recycling piezoceramics. However, the recycled piezoceramics retain only about 10-30% of the pristine piezoelectric properties. To date, there has been no systematic study on the origin of this limitation and on potential routes for improving these recycled materials. This work addresses this issue by combining empirical and modelling evidence. The phenomenon of the influence of disparate permittivity between the fillers and binders is explained by fitting experimental parameters from sets of lead-based and lead-free upside-down composite samples into the Lichtenecker and Yamada models. Results suggest that for high filler contents, the biasing field permeation caused by the binders that leads to lower piezoelectric properties can be experimentally confirmed and correctly modelled. For lower filler contents, the models significantly deviate from the experimental data due to the distinctive shaping method. This issue indicates the necessity of developing a new theoretical methodology for upside-down composites. Composite material ; Materials science ; Permittivity ; Filler (materials) ; Dielectric Material Properties and Applications
Authors: Munir Hussain | Vivek Vasudev | Shri Ram | Sohail Yasin | Nouraiz Mushtaq | Murtaza Saleem | Hafiz Tanveer Ashraf | Yanjun Duan | Muhammad Ali | Bin Yu
Source: Polymers (article, 2025-07-29)
Field: Materials Science — Polymers and Plastics

Co-Pyrolysis of Bamboo and Rice Straw Biomass with Polyethylene Plastic: Characterization, Kinetic Evaluation, and Synergistic Interaction Analysis This study investigates the co-pyrolysis behavior of two lignocellulosic biomass blends, bamboo (B), and rice straw (R) with a plastic polyethylene (P). A total of 15 samples, including binary and ternary blends, were analyzed. Firstly, X-ray diffraction (XRD) analysis was performed to reveal high crystallinity in the B25R75 blend (I/I<sub>c</sub> = 13.39). Whereas, the polyethylene samples showed persistent ZrP<sub>2</sub>O<sub>7</sub> and lazurite phases (I/I<sub>c</sub> up to 3.12) attributed to additives introduced during the manufacturing of the commercial plastic feedstock. In addition, scanning electron microscopy with energy-dispersive X-ray (SEM-EDX) spectroscopy was performed to characterize the surface morphology and elemental composition of the feedstock. Moreover, thermogravimetric analysis (TGA) was employed at temperatures up to 700 °C at three different heating rates (5, 10, and 20 °C/min) under pyrolysis conditions. Kinetic analysis used TGA data to calculate activation energy via Friedman's isoconversional method, and the blended samples exhibited a decrease in activation energy compared to the individual components. Furthermore, the study evaluated transient interaction effects among the components by assessing the deviation between experimental and theoretical weight loss. This revealed the presence of significant synergistic behavior in certain binary and ternary blends. The results demonstrate that co-pyrolysis of bamboo and rice straw with polyethylene enhances thermal decomposition efficiency and provides a more favorable energy recovery route. Thermogravimetric analysis ; Materials science ; Polyethylene ; Bamboo ; Straw ; Crystallinity ; Pyrolysis ; Chemical engineering ; Scanning electron microscope ; Thermal analysis ; Ternary operation ; Composite material ; Nuclear chemistry ; Chemistry ; Thermal ; Thermodynamics Natural Fiber Reinforced Composites ; Bamboo properties and applications ; Thermochemical Biomass Conversion Processes
Authors: Malathi Sampath | Niketha Konikkara | S. R. David | S. Ramakrishnan | Jyoti Prakash Rath | S. K. P. Amarnath
Source: RSC Sustainability (article, 2025-01-01)
Field: Materials Science — Biomaterials

Advancements in sustainable materials for environmentally responsible tyre production: a comprehensive review This review highlights sustainable materials, recycling strategies, and emerging technologies such as AI, LCA, and self-healing rubber, guiding the tyre industry towards eco-friendly, circular, and innovative future solutions. Production (economics) ; Sustainable production ; Environmentally friendly ; Business ; Engineering ; Economics ; Ecology ; Biology biodegradable polymer synthesis and properties ; Polymer composites and self-healing ; Natural Fiber Reinforced Composites
Authors: Yingchun Ge | Can Wang | Ini‐Ibehe Nabuk Etim | Suliman Khan | Chengpeng Li | Luhua Yang | Jia Liu | Peijia Yi | Jiazhi Liu | Wolfgang Sand | Ruiyong Zhang
Source: Frontiers in Microbiology (review, 2025-07-17)
Field: Materials Science — Materials Chemistry

Deep-sea microbially influenced corrosion and biomineralization Microbially influenced corrosion (MIC) and biomineralization are widely observed in marine, deep-sea, freshwater, and soil ecosystems. Recently, MIC and biomineralization associated with biofouling have significantly impacted marine resources, including deep-sea minerals and organisms. Notably, uncontrolled biomineralization by certain microorganisms, such as barnacles adhering to ship hulls, can lead to structural damage and economic challenges due to biocorrosion. Biomineralization can be categorized into induced mineralization and controlled mineralization. In natural environments, induced biomineralization is the predominant process. The mechanisms of induced biomineralization and MIC in extreme deep-sea environments have attracted significant attention. The factors influencing these processes are highly complex. The microbial-material interfaces serve as the primary sites for key biochemical reactions driving biocorrosion and biomineralization. Within these interfaces, biofilms, their secreted extracellular polymers, and extracellular electron transfer mechanisms play crucial roles in these processes. Thus, a comprehensive understanding of MIC and biomineralization under deep-sea environmental conditions is essential. Investigating the relationship between these phenomena and exploring their underlying mechanisms are critical for both research advancements and industrial applications. Biomineralization ; Mineralization (soil science) ; Extracellular polymeric substance ; Biofouling ; Greigite ; Ecology ; Chemistry ; Biofilm ; Biology ; Astrobiology ; Mineralogy ; Paleontology ; Bacteria Corrosion Behavior and Inhibition ; Marine Biology and Environmental Chemistry ; Metal Extraction and Bioleaching
Authors: Jingyi Zhou | Chen Chen | Jinchi Sun | Thomas R. Fielitz | Weijun Zhou | David G. Cahill | Paul V. Braun
Source: Angewandte Chemie International Edition (article, 2025-04-25)
Field: Materials Science — Materials Chemistry

Reduction of the Thermal Conductivity of Polyurethanes by Fluorination: Impact of Crystallinity, Atomic Density, and Sound Velocity The intrinsic thermal conductivity ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:semantics><mml:mi>Λ</mml:mi> <mml:annotation>$\text{\ensuremath{\Lambda}}$</mml:annotation></mml:semantics> </mml:math> ) of polymers ranges between 0.13 W m<sup>-1</sup>K<sup>-1</sup> in amorphous polyvinyl chloride to 60 W m<sup>-1</sup>K<sup>-1</sup> in ultrahigh molecular weight polyethylene. Increasing the amorphous content of polymers to further lower <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:semantics><mml:mi>Λ</mml:mi> <mml:annotation>${\Lambda}$</mml:annotation></mml:semantics> </mml:math> is insufficient as this approach reaches a practical limit at approximately 0.15 W m<sup>-1</sup>K<sup>-1</sup>. Inspired by the low <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:semantics><mml:mi>Λ</mml:mi> <mml:annotation>${\Lambda}$</mml:annotation></mml:semantics> </mml:math> and low speed of sound of fluorinated liquids, we explored whether this behavior in liquids can be extended to polymers. We synthesized seven partially fluorinated (9%-17% atomic fraction F) and ten conventional polyurethanes. Fluorinated polyurethanes exhibit a reduction in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:semantics><mml:mi>Λ</mml:mi> <mml:annotation>${\Lambda}$</mml:annotation></mml:semantics> </mml:math> up to 50% compared to their nonfluorinated counterparts. Microstructural analysis revealed that the fluorinated polyurethanes exhibited reduced crystallinity and increased molecular spacing. Furthermore, we observed a decreased speed of sound in fluorinated polymers by forced Brillouin scattering via a new analysis method that captures weak signals from highly scattering semicrystalline polymers. The lowest thermal conductivity, 0.13 W m<sup>-1</sup>K<sup>-1</sup> at room temperature, was observed in polyurethane synthesized from 2,2,3,3,4,4,5,5-octafluoro-1,6-hexanediol (16F) and isophorone diisocyanate (IPDI). Our study provides deeper insights into the relationship between <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:semantics><mml:mi>Λ</mml:mi> <mml:annotation>${\Lambda}$</mml:annotation></mml:semantics> </mml:math> , microstructure, and chemical structure, paving the way to rational design of polymers with thermal conductivity below the lowest limit of conventional amorphous polymers. Crystallinity ; Isophorone diisocyanate ; Materials science ; Polymer ; Amorphous solid ; Thermal conductivity ; Polyurethane ; Microstructure ; Chemical engineering ; Polymer chemistry ; Composite material ; Organic chemistry ; Chemistry Thermal properties of materials ; Thermal Radiation and Cooling Technologies ; Carbon Nanotubes in Composites
Authors: Kyungwon Kim | Huijuan Song | Sanghun Lee | Hyeongkyu Cho | Hyung Mi Lim | Hyunseok Ko
Source: Digital Discovery (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

Accentuating the ambient curing behavior of geopolymers: metamodel-guided optimization for fast-curing geopolymers with high flexural strength This study presents an optimized geopolymer for rapid curing at low temperature using design of experiments and metamodeling techniques. The geopolymer achieved a record flexural strength of 27.83 MPa, making it suitable for practical on-site use. Curing (chemistry) ; Flexural strength ; Materials science ; Composite material Synthesis and properties of polymers ; Synthetic Organic Chemistry Methods ; Epoxy Resin Curing Processes
Authors: Leon A. Smook | Sissi de Beer
Source: Journal of Polymer Science (article, 2025-06-20)
Field: Materials Science — Surfaces, Coatings and Films

The Effect of Salt and Monomer Distribution on the Electroresponse of Partially Charged Polyelectrolyte Brushes ABSTRACT Polyelectrolyte brushes reorganize when they are placed in electric fields, which allows for a field‐induced collapse or swelling. While these systems have been studied theoretically in detail under salt‐free conditions, the effect of salt on the electroresponse has been less systematically explored. Yet, in potential applications, for example, for anti‐fouling, in biomedical systems or in the food industry, polyelectrolyte brushes are almost always in contact with solutions that contain salt. We use coarse‐grained molecular dynamic simulations and Scheutjens‐Fleer self‐consistent field theory to study the effect of salt on the electroresponse of two different polyelectrolyte brushes: a random copolymer of neutral and charged monomers and a gradient copolymer where the composition gradually changes from neutral at the grafting plane to charged at the free end. We find that salt only has a limited effect of the electroresponse when the brush is in the osmotic regime at low salt concentrations, while it stifles the response in the salted regime at high salt concentrations. Additionally, we find that the electroresponse in the transition between these regimes is significantly affected by chain architecture. Our results show that the electroresponse of polyelectrolyte brushes can still be used at salt concentrations as they occur in practical applications. Polyelectrolyte ; Salt (chemistry) ; Copolymer ; Monomer ; Polymer chemistry ; Chemical physics ; Chemistry ; Chemical engineering ; Materials science ; Polymer science ; Polymer ; Organic chemistry Polymer Surface Interaction Studies ; Electrostatics and Colloid Interactions ; Microfluidic and Bio-sensing Technologies
Authors: Gregor Neusser | Tom Philipp | Christine Kranz
Source: Journal of Microscopy (article, 2025-07-21)
Field: Materials Science — Materials Chemistry

Visualisation and differentiation of binder components in hard carbon composite anodes by osmium tetroxide and uranyl acetate staining In this study, we present a protocol to visualise, track and distinguish between two different binder components commonly used for batteries, styrene butadiene rubber (SBR) and sodium carboxymethyl cellulose (CMC), within a composite hard carbon electrode for sodium-ion batteries using a two-step staining method. The application of osmium tetroxide (OsO<sub>4</sub>) vapour followed by uranyl acetate (UA) solution enables the staining of different functional groups and the individual tracing of SBR and CMC by energy dispersive X-ray spectroscopy (EDX) measurements using the osmium (Os) and uranium (U) content. This staining procedure and the filling of the pore space with conductive platinum carbon (PtC) composite via local electron-beam-induced deposition (EBID) results in an excellent contrast for all components of the electrode material. The tracking and visualisation of the binder components are demonstrated with secondary electron (SE) imaging and EDX mappings at focused ion beam (FIB) prepared facets as well as with focused ion beam/scanning electron microscopy (FIB/SEM) tomography. LAY DESCRIPTION: In this study, a sample preparation protocol for hard carbon (HC) composite electrode material is presented which allows to clearly distinguish between the HC particle and the two binder components, styrene butadiene rubber (SBR) and sodium carboxymethyl cellulose (CMC) in focused ion beam/scanning electron microscopy (FIB/SEM) tomography and energy dispersive X-ray spectroscopy (EDX) measurements. For that, the material was stained with osmium tetroxide (OsO<sub>4</sub>) and uranyl acetate (UA) and pore space was locally filled with electron-beam-induced deposition (EBID) of platinum carbon (PtC). Osmium tetroxide ; Uranyl acetate ; Osmium ; Uranyl ; Composite number ; Staining ; Chemistry ; Nuclear chemistry ; Polymer chemistry ; Chemical engineering ; Organic chemistry ; Materials science ; Catalysis ; Composite material ; Electron microscope ; Ion ; Pathology ; Medicine Anodic Oxide Films and Nanostructures ; Advancements in Battery Materials ; Semiconductor materials and devices
Authors: Wenwu Jiang | H. Bu | Ting Liang | Penghua Ying | Zheyong Fan | Jianbin Xu | Wengen Ouyang
Source: Research Square (preprint, 2025-05-08)
Field: Materials Science — Materials Chemistry

Accurate Modeling of Interfacial Thermal Transport in van der Waals Heterostructures via Hybrid Machine Learning and Registry-Dependent Potentials van der Waals force ; Thermal ; Heterojunction ; Materials science ; Computer science ; Chemical physics ; Thermodynamics ; Statistical physics ; Chemistry ; Physics ; Optoelectronics ; Quantum mechanics Machine Learning in Materials Science ; Thermal properties of materials ; Electron and X-Ray Spectroscopy Techniques
Authors: Yeliz Yıldırım | Fehmi Saltan | Kamil Şirin | Vedat Arda Küçük
Source: Polymer Engineering and Science (article, 2025-02-19)
Field: Materials Science — Materials Chemistry

Thermal decomposition kinetics and mechanical analysis of boron carbide‐reinforced polymer nanocomposites Abstract In the present study, the mechanical properties and thermal degradation kinetics of PVA/PVP/PEO (polyvinyl alcohol/polyvinyl pyrrolidone/polyethylene oxide) blend, along with their composites containing various percentages of boron carbide (B 4 C), are examined. The solvent‐casting method is used for preparing the composites. Thermal degradation is analyzed using both Kissinger and FWO (Flynn‐Wall‐Ozawa) methods to determine the activation energies ( E a ). The E a varied with the B 4 C content, with higher B 4 C percentages leading to increased thermal stability. Dynamic mechanical analysis (DMA) was employed to evaluate the mechanical properties, revealing that B 4 C addition enhances the Young's modulus ( E ) while decreasing strain. The highest strain ( ε ) was observed in the PVA/PEO/PVP blend, reaching 184%. The ε values for PVA/PEO/PVP‐B 4 C %5 , PVA/PEO/PVP‐B 4 C %10 , and PVA/PEO/PVP‐B 4 C %20 composites were determined as 45.30%, 29.15%, and 16.48%, respectively. The E was measured as 0.12 MPa for PVA/PEO/PVP, while the highest E value of 0.64 MPa was observed in the PVA/PVP/PEO‐B 4 C 20% composite. Additionally, chemometric analysis using FTIR data and clustering algorithms confirmed the homogeneity of the blends. These findings indicate that B 4 C‐reinforced PVA/PVP/PEO composites could serve as alternatives to conventional polymers, particularly in applications requiring enhanced thermal and mechanical stability. Highlights B 4 C addition increases the thermal stability of the PVA/PVP/PEO blend. DMA analysis shows that B 4 C addition increases the elastic modulus. Activation energies were calculated by the Kissinger and FWO methods. PVA/PVP/PEO‐B 4 C composites offer superior mechanical resistance. Materials science ; Boron carbide ; Nanocomposite ; Kinetics ; Thermal decomposition ; Composite material ; Carbide ; Polymer ; Decomposition ; Boron ; Polymer nanocomposite ; Chemical engineering ; Organic chemistry Thermal and Kinetic Analysis ; Polymer Nanocomposites and Properties ; Energetic Materials and Combustion
Authors: Yiwei Zhang | Ziyang Liu | Tiandong Zhang | Yongquan Zhang | Yue Zhang | Qingguo Chi | Changhai Zhang
Source: IET Nanodielectrics (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Improvement in Insulation and Corona Resistance of PI by Incorporating SiO <sub>2</sub> and AlN ABSTRACT The rapid advancement of new energy vehicles has exposed critical limitations in conventional enamelled wire insulation materials for drive motors, particularly in meeting escalating operational demands. Polyimide is widely adopted in the motor insulation systems, and its inherent corona resistance remains insufficient under extreme conditions. Herein, we propose a strategy to improve the corona resistance of PI films or PI polymer based on the integration of silicon dioxide (SiO 2 ) and aluminium nitride (AlN) nanoparticles. The results indicate that the excellent insulation of SiO 2 and the high thermal conductivity of AlN can lead to a strong effect in improving the corona resistance life of PI. The resultant polymer film (MPI/ASA3) exhibits an excellent corona resistance life of 184.7 min which is 23.38 times higher than that of the MPI/1.0 vol% AOC film. Meanwhile, it still maintains excellent thermal and mechanical properties. Hopefully, our work could promote the advancement of the drive motor for new energy vehicle technology. Materials science ; Pi ; Corona (planetary geology) ; Composite material ; Optoelectronics ; Physics ; Chemistry ; Astrobiology High voltage insulation and dielectric phenomena ; Dielectric materials and actuators ; Electromagnetic wave absorption materials
Authors: Sofia Sivilotti | David Friday | Nicholas E. Jackson
Source: Digital Discovery (article, 2025-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Active learning high coverage sets of complementary reaction conditions Complimentary reaction conditions can cover more reactant space than a single general reaction condition. We present an active learning algorithm to rapidly discover these high coverage sets of complimentary reaction conditions. Computer science ; Chemistry Various Chemistry Research Topics ; Chemistry and Chemical Engineering ; Advanced Data Processing Techniques