jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sirapob Toyting | Christopher Harrison | Alexis Lambourne | H.J. Stone
Source: Materialia (article, 2025-12-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Magnetic behaviour of FeCo-2V under applied stress and elevated temperature FeCo-2V alloys are promising candidates for high-performance electric machines, such as those used in aerospace and electrification, owing to their exceptional saturation magnetisation and potential to maximise power density. Nevertheless, their magnetic behaviour under mechanical loading and at elevated temperatures remains insufficiently understood. In this study, the stress- and temperature-dependent magnetic and electrical properties of FeCo-2V were investigated separately, with particular attention to coercivity, core losses, and underlying mechanisms. Stress-dependent experiments revealed three distinct regimes. Under compressive loading, magnetic performance deteriorated, as shown by expanding hysteresis loops and increased coercivity and core losses due to hard-axis magnetisation. In the tensile regime below ∼100 MPa, performance improved through stress-assisted easy-axis alignment. At higher tensile stresses, however, micro-yielding dominated: increasing Kernel Average Misorientation (KAM) angles indicated enhanced dislocation densities, which in turn degraded magnetic properties. Independent temperature-dependent studies demonstrated that coercivity decreases systematically with increasing temperature, attributed to reduced anisotropy energy that facilitates domain wall motion. Core losses also declined with temperature, with loss-separation analysis confirming reductions in both hysteresis and eddy current loss coefficients. Additionally, electrical resistivity was observed to increase with temperature, consistent with the Drude model and a reduced eddy current loss coefficient. Coercivity ; Eddy current ; Hysteresis ; Electrical resistivity and conductivity ; Ultimate tensile strength ; Magnetic hysteresis ; Saturation (graph theory) ; Magnetization ; Magnetic domain Magnetic Properties and Applications ; Electric Motor Design and Analysis ; Magnetic Properties of Alloys
Authors: Fábio Gonçalves Ferreira | NTONY D DANTAS | Déborah Cordeiro de Andrade | Leonardo dos Santos Pereira | Osvaldo Chiavone Filho
Source:  (article, 2025-01-28)
Field: Materials Science — Materials Chemistry

SOLUBILIDADE DO CACO3, NA PRESENA DE NACL E ATMOSFERA DE CO2, NO PROCESSO DE REGENERAO DO MEG Physics Thermal and Kinetic Analysis ; Chemistry and Chemical Engineering
Authors: Vadim M. Volokhov | Vladimir V. Parakhin | Elena S. Amosova | David B. Lempert | Vladimir V. Voevodin
Source: Supercomputing Frontiers and Innovations (article, 2025-06-01)
Field: Chemistry — Organic Chemistry

Comparison of Quantum-Chemical Programs and Methods for the Calculation of Enthalpies of Formation of High-Energy Tetracyclic Compounds A comparative study was carried out on the thermochemical properties of a series of high-energy tetracyclic compounds containing amino, cyano, azido, and dinitrophenyl groups. Various quantum-chemical methods were employed to calculate the gas-phase enthalpies of formation, including the B3LYP functional with 6-311+G(2d,p) and cc-pVTZ basis sets, the composite G4MP2 method implemented in Gaussian 09, and a G4MP2-based scheme adapted for implementation in NWChem. The G4MP2 method was used as a reference for accuracy, against which the results of other approaches were evaluated. It is shown that the use of NWChem and reaction-based schemes yields enthalpy values close to those obtained by G4MP2, while significantly reducing computational costs. Structural factors affecting the enthalpy of formation are analyzed, along with differences in the IR absorption spectra. The results confirm the applicability of various theoretical levels for the thermochemical evaluation of promising high-energy materials. Standard enthalpy of formation ; Enthalpy ; Standard enthalpy change of formation ; Basis (linear algebra) ; Series (stratigraphy) Chemical Thermodynamics and Molecular Structure ; Thermal and Kinetic Analysis ; Advanced Chemical Physics Studies
Authors: K. A. Alrefaey | N. A. Sallam | I. S. Fahim
Source: International Journal of Environmental Science and Technology (article, 2025-12-20)
Field: Materials Science — Biomaterials

Eco-friendly cellulose-based membranes derived from sugarcane bagasse for efficient industrial paint wastewater treatment Abstract Water contamination from the paint industry presents a significant threat to aquatic ecosystems due to the release of toxic substances such as solvents, heavy metals, pigments, and resins. To mitigate this issue, the development of efficient and sustainable treatment technologies is essential. This study explores the application of biodegradable membranes fabricated from agricultural waste for the removal of paint-derived pollutants from wastewater. Cellulose was extracted from sugarcane bagasse and cotton stalks and subsequently blended with chitosan nanoparticles and activated carbon through environmentally friendly synthesis methods. The resulting membranes were characterized using standard analytical techniques to evaluate their structural integrity and adsorption performance. Experimental results demonstrated a high removal efficiency of 99.1% for white paint contaminants. These findings highlight the potential of low-cost, bio-based membranes as an effective and sustainable solution for wastewater purification. Furthermore, the membranes show promise for broader applications, including the removal of industrial pollutants such as dyes, heavy metals, and organic solvents, thereby contributing to sustainable water management and environmental protection. Graphical abstract Graphical abstract explains the degradation of the paint industry by membrane technology Bagasse ; Membrane ; Environmentally friendly ; Pollutant ; Sewage treatment ; Wastewater ; Cellulose ; Adsorption ; Water treatment Advanced Cellulose Research Studies ; Membrane Separation Technologies ; Adsorption and biosorption for pollutant removal
Authors: Rita Sousa | José M. Silva | Lidia Verano-Naranjo | Cristina Cejudo‐Bastante | William Marcondes Facchinatto | Adelaide Almeida | Armando J. D. Silvestre | Carmen S. R. Freire | Carla Vilela
Source: Frontiers in Bioengineering and Biotechnology (article, 2025-10-22)
Field: Materials Science — Biomaterials

Functional biopolymeric materials for active food packaging: the case of monolayer films of thermoplastic starch and olive leaf extract Active packaging materials based on biopolymers and natural additives represent a significant innovation, offering a sustainable solution of packaging combined with multifunctional bioactive properties to extend the shelf-life of food products. In the present study, bioactive films composed of thermoplastic starch (TPS) and an olive leaf extract (OLE) were fabricated via solvent casting. OLE was used in different concentrations, namely 5 and 10 wt.%, and the films were plasticized with glycerol (20 wt.%). The ensuing homogeneous films are translucent (50% < transmittance <80%, opacity <2.3 mm<sup>-1</sup>) and exhibited a light-green coloration characteristic of OLE. The inclusion of OLE had a positive effect on the mechanical performance (Young's modulus ≈1.1 GPa), water resistance (water solubility <29% and moisture absorption ≤45%) and thermal stability (up to 200 °C) of the films. Furthermore, the incorporation of OLE in the plasticized TPS films originated materials with UV-blocking properties (transmittance ≤28%) and high antioxidant activity (DPPH scavenging activities of ca. 90%), as well as antibacterial action against a methicillin-resistant <i>Staphylococcus aureus</i> bacterial strain (maximum reduction of ca. 2.6-log [colony-forming units (CFU) mL<sup>-1</sup>] after 72 h). Lastly, when used to pack sliced pears stored at +4 °C for 7 days, the TPS/OLE-based films effectively delayed browning, mass loss and pH changes. Overall, the incorporation of OLE into plasticized TPS films demonstrates great potential for sustainable active food packaging, offering an approach to preserve the quality and extend the shelf-life of fresh food products. Active packaging ; Thermoplastic ; Starch ; Absorption of water ; Food packaging ; Solubility ; Glycerol ; Thermal stability biodegradable polymer synthesis and properties ; Nanocomposite Films for Food Packaging ; Consumer Packaging Perceptions and Trends
Authors: Salman Ahsanullah | Neema Rafizadeh | Hui Zhao
Source: arXiv (Cornell University) (preprint, 2025-10-22)
Field: Materials Science — Materials Chemistry

Transient Absorption Spectroscopy of NbOI$_2$ NbOI$_2$ has recently emerged as a new van der Waals material combining semiconducting behavior with intrinsic in plane ferroelectricity and pronounced transport and optical anisotropy. However, its photocarrier dynamics remain largely unexplored. Here we report transient absorption spectroscopy of NbOI$_2$ using femtosecond pump probe reflectance measurements. A pronounced transient absorption feature is observed near the 2.34 eV excitonic resonance, arising from photocarrier induced excitonic energy shifts and saturation. The decay dynamics reveal an exciton lifetime of several tens of picoseconds and show density-dependent behavior consistent with exciton exciton annihilation and defect-assisted Auger recombination, yielding a rate of 0.4 cm$^2$ s$^{-1}$, which is comparable to that in monolayer transition metal dichalcogenides. Polarization resolved measurements further reveal a pronounced in-plane anisotropy in the transient response that follows the linear absorption anisotropy. These findings provide fundamental insight into photocarrier dynamics in NbOI$_2$ and establish key parameters for understanding and exploiting its optoelectronic behavior. Exciton ; Picosecond ; Ultrafast laser spectroscopy ; Femtosecond ; Spectroscopy ; Tungsten diselenide ; Absorption (acoustics) ; Nanosecond ; Anisotropy 2D Materials and Applications ; Chemical and Physical Properties of Materials ; Graphene research and applications
Authors: Ирина Степина | В. В. Строкова | Владимир Ерофеев
Source: Nanotechnologies in Construction A Scientific Internet-Journal (article, 2025-10-29)
Field: Materials Science — Polymers and Plastics

The effect of substitute nature on the effectiveness of boron-nitrogen wood preservatives and flame retardants Introduction.Antiseptic and antipyretic treatment of wood is a prerequisite for its use in modern construction technologies.The use of boron compounds for these purposes has a significant advantage: the formation of stable chemical bonds between the molecules of the modifiers and the hydroxyl groups of the main components of wood (cellulose and lignin) due to boron-amine coordination on the surface of the modified material.By changing the chemical composition of boron-based modifiers, it is possible to control the properties of the surface of modified wood.In this regard, the aim of the study was to develop the optimal composition of boron-based modifiers that would provide long-lasting and effective protection against microorganisms and elevated temperatures while preserving the unique natural properties of pine wood.Methods and materials.The study was carried out using methods of thermal analysis, evaluation of the fire-retardant effectiveness of boron compounds, and determination of the fungus resistance of pine wood samples modified with boron compounds.Results.Boron compounds, in which one hydroxyl group at the boron atom is replaced by a phenyl radical, showed higher effectiveness against mold and wood-destroying fungi and provided the second group of fire protection effectiveness at lower concentrations compared to boron-nitrogen compounds with three hydroxyl groups at the boron atom.Discussion.The introduction of a phenyl radical into boron-nitrogen compounds sharply increases their effectiveness as antiseptics and flame retardants, allowing a fivefold reduction in working concentration without loss of protective properties.Low concentrations of phenylborates (5-10%) reduce processing costs.The minimum concentration of modifiers minimizes the impact on the natural structure of the material.Stable coordination bonds between boron-nitrogen compounds and cellulose and lignin prevent the leaching of reagents.Phenylborate-based compositions are optimal for the comprehensive protection of lignocellulosic materials in construction in accordance with environmental requirements.Conclusion.The study proved that the nature of the substituent in boron compounds is a decisive factor in their effectiveness.Phenyl-containing boron-nitrogen compounds combine high biocidal activity, thermal stability, and fire protection at minimum concentrations, offering an economically and environmentally sustainable solution for wood modification. Boron ; Preservative ; Antiseptic ; Mold ; Boric acid ; Chemical composition ; Microorganism Flame retardant materials and properties ; Environmental and Industrial Safety ; Wood Treatment and Properties
Authors: Haoliang Cheng | Shuangqiang Fang | Li Yi | Qiangqiang Zhu | Yixi Zhuang | Rong‐Jun Xie | Yan Wei | Ding Zhao | Min Qiu | Le Wang
Source: PhotoniX (article, 2025-11-18)
Field: Materials Science — Materials Chemistry

Mechano-electro-optical conversion dynamics in mechanoluminescence and its application in remote human–robot interaction Abstract Mechanoluminescence (ML) is bringing a paradigm-shifting for next-generation light-based human–robot interaction. However, the overlooked character of ML temporal dynamic response remains a critical barrier to overcoming the limitation of mechano-optical conversion efficiency. Here, by resolving the dynamic interplay among stimuli rate, interfacial charge accumulation and ML performance of three typical materials, like ZnS:Cu 2+ , SrAl 2 O 4 :Eu 2+ ,Dy 3+ , Y 3 Al 5 O 12 :Ce 3+ , the cognition of ML has been deeply understand. Obviously, the ML performance is predominantly governed by the cross-coupling of stimuli rate and stimuli time rather than absolute stress magnitude. For the first time, the optimal stretching stimulation rate for commercial ZnS:Cu 2+ , SrAl 2 O 4 :Eu 2+ ,Dy 3+ and Y 3 Al 5 O 12 :Ce 3+ are respectively determined as ~ 10.3 Mpa/s, ~ 11.0 Mpa/s, ~ 31.9 Mpa/s, which is of great significance for obtaining high-performance ML behavior, and an ubiquitous ML hysteresis phenomenon is demonstrated originating from a time-consuming mechano-electro-optical conversion process even existing in trap-controlled SrAl 2 O 4 :Eu 2+ ,Dy 3+ . Moreover, a qualitative relationship for ML brightness (MLB), stimuli rate ( sr ), stimuli time ( st ), inherent interfacial triboelectricity coefficient ( iitre ) and relative interfacial triboelectricity coefficient ( ritre ) is established as MLB = f ( sr )* g ( st )* p ( iitre )* q ( ritre ) for guiding the design of ML elastomers. For instance, based on this equation, a topology-optimized Y 3 Al 5 O 12 :Ce 3+ @polydimethylsiloxane (PDMS) elastomer is engineered, achieving unprecedented 693 times brighter emission, 78% lower stress threshold and 20% lighter weight, which is successfully applied in remote control (~ 450 m) of quadruped robot. Three main contributions of this work include: (i) demonstrating the influence law of temporal dynamic stimulation on ML performance. (ii) resolving long-standing mechano-optical asynchrony debates. (iii) establishing a universal guideline for designing high-performance ML platforms. Mechanoluminescence ; Triboelectric effect ; Hysteresis ; Brightness ; Dynamics (music) ; Charge (physics) ; Stress (linguistics) Luminescence Properties of Advanced Materials ; Photoreceptor and optogenetics research ; Biofield Effects and Biophysics
Authors: M. Tyunina | Leonid L. Rusevich | M. Savinov | T. Kocourek | O. Pacherová | A. Dejneka | E. A. Kotomin
Source: Advanced Science (article, 2025-08-19)
Field: Materials Science — Materials Chemistry

Substrate‐Controlled Response Coefficients in Thin Films To obtain materials with desired properties, material compositions are primarily altered, whereas thin films offer additional unique avenues. By combining state-of-the-art first-principles calculations and experimental investigations of thin films of strontium titanate as an exemplary representative of a broad class of perovskite oxides and the extensive family of ferroelectrics, a novel approach is presented to achieving superior material responses to external stimuli. The findings reveal that substrate-imposed deformations, or strains, significantly alter the frequencies and magnitudes of atomic vibrations in thin films. Consequently, material-specific response-stimulus coefficients can become strain-dependent. The strain-dependent Curie constant, which characterizes the dielectric response to thermal stimuli, is theoretically justified and experimentally validated. Given that atomic vibrations fundamentally govern various response coefficients in a wide range of materials, and that thin films are typically deformed by substrates, it is anticipated that unprecedented responses can be generally attained through substrate-induced control of atomic vibrations in thin films. Thin film ; Materials science ; Strontium titanate ; Dielectric ; Substrate (aquarium) ; Dielectric response ; Vibration ; Condensed matter physics ; Composite material ; Nanotechnology ; Optoelectronics ; Physics ; Acoustics Ferroelectric and Piezoelectric Materials ; Acoustic Wave Resonator Technologies ; Microwave Dielectric Ceramics Synthesis
Authors: Guadalupe Sanchez‐Olivares | Sven Brehme | Fausto Calderas | Bernhard Schartel
Source: Journal of Vinyl and Additive Technology (article, 2025-12-01)
Field: Materials Science — Polymers and Plastics

Flame Retardant Polyolefins Using Fibers From Leather Waste: Adjusting Extrusion Variables to Balance the Property Profile ABSTRACT The extrusion processing variables represent a key to the optimal use of additives and thus the development of flame‐retardant polymer composites. Adjusting the property profile, for example, finding a balance between flame retardancy and mechanical properties is the main challenge. In this work, the effect of blending temperature and rotational speed on physico‐mechanical properties and fire behavior of polyolefin composites was investigated. High‐density polyethylene or polypropylene was used as polymer matrices; the polymers were compounded by the extrusion process using industrial‐waste leather fibers as flame retardant adjuvant and commercial flame‐retardant additives. A detailed rheological analysis highlighted different viscoelastic behavior, that is, a predominant elastic or viscous one. The effect of the extrusion processing variables was also investigated on the morphology, mechanical properties, thermal decomposition, fire behavior under forced flaming combustion and flammability. Important improvements were revealed with respect to using only high loading of flame retardants. For high‐density polyethylene‐based composites, impact resistance and elongation at break increased 8 and 7.5 times, respectively. The total heat evolved (87 MJ/m 2 ), effective heat of combustion (31.6 MJ/kg), flame retardancy (UL 94 rating) results were comparable with the reference sample. Meanwhile for polypropylene composites, the impact resistance increased 2.2 times and the flame retardancy was improved from no rating in the UL 94 vertical test to V‐0 rating. Tailored processing was highlighted as an autonomous and powerful approach to achieve balanced and demanding properties. Extrusion ; Polypropylene ; Fire retardant ; Polyolefin ; Combustion ; Plastics extrusion ; Extrusion moulding ; Polyethylene ; Polymer Flame retardant materials and properties ; Fire dynamics and safety research ; Polymer composites and self-healing
Authors: Аlyona Lovska | Juraj Gerlici | Ján Dižo
Source: Research Square (preprint, 2025-04-21)
Field: Materials Science — General Materials Science

The research of the load-bearing structure of a passenger car frame with components formed by corrugated walls beams Frame (networking) ; Load bearing ; Structural engineering ; Bearing (navigation) ; Engineering ; Materials science ; Physics ; Mechanical engineering Material Properties and Applications
Authors: Viktor Kvasnytskyi | Anastasiia Zvorykina | Leonid Zvorykin | C. O. Zvorykin | Valery Kostin | Tatjana Taranova
Source: Eastern-European Journal of Enterprise Technologies (article, 2025-12-31)
Field: Materials Science — Materials Chemistry

Determination of the structural features of joint material of the nitinol wires made by laser welding The object of the study is the welded joint of thin wires made of nitinol alloy. The problem of ensuring the formation of a joint of wires with a diameter of 0.8 mm made of nitinol alloy was solved based on determining the influence of laser welding modes on structural changes in the material of the weld. Based on the use of scanning electron microscopy, micro-X-ray spectral (EDS) analysis, a study of the properties of the material of the welded joint of the nitinol wires was performed. The joint was obtained by welding with an ytterbium fiber laser. It was confirmed that laser welding in an argon atmosphere is able to ensure the high-quality formation of a welded joint without macrodefects while maintaining the superelasticity of the joint material (within the shape memory effect). Two laser welding modes were used with a constant applied laser radiation energy. The duration of the laser radiation action and the multiplicity of such action were varied. At the same time, structural changes in the weld material, which are caused by the multiplicity of laser heating, involve the formation of enlarged zones of the eutectic TiNi + TiNi3 from metastable nanophases of titanium nickelides. The number of such grains decreases with the depth of the weld. Detection of structural changes and establishment of a decrease in the number of point phase inclusions with an increased nickel content in the weld can be a regulating factor for optimizing the structure of the welded joint material. In the welded joints made, when it is bent at an angle of 30°, the residual deformation does not exceed 10%. The results of the study of the structure of the welded joint of nitinol wires made by laser welding are promising and can be used in the conditions of manufacturing nitinol wire connections by welding medical products Welding ; Laser beam welding ; Laser ; Eutectic system ; Joint (building) ; Alloy ; Shape-memory alloy ; Titanium alloy ; Electric resistance welding Shape Memory Alloy Transformations ; Metallurgical and Alloy Processes ; Advancements in Materials Engineering