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Search Results (1,355)

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Keywords = effective thermal diffusivity

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12 pages, 4382 KB  
Article
Advanced Lithium-Ion Battery Enhanced by Silver-Cooperated LiFe0.6Mn0.4PO4 Cathode
by Wenyu Liang, Wanwei Zhao, Guangyao Jin and Rui Xu
Batteries 2026, 12(4), 129; https://doi.org/10.3390/batteries12040129 (registering DOI) - 8 Apr 2026
Abstract
To address the inherent low voltage and poor energy density of LiFePO4, LiFe0.6Mn0.4PO4 (LFMP) has emerged as a promising cathode for next-generation lithium-ion batteries. However, its practical application is severely hindered by intrinsic limitations such as [...] Read more.
To address the inherent low voltage and poor energy density of LiFePO4, LiFe0.6Mn0.4PO4 (LFMP) has emerged as a promising cathode for next-generation lithium-ion batteries. However, its practical application is severely hindered by intrinsic limitations such as low electronic conductivity and sluggish Li+ diffusion. To address these challenges, this study investigates the effects of silver (Ag) doping on the structural and electrochemical performance of LFMP. Through a facile high-temperature solid-state approach, Ag+ ions are successfully incorporated into the LFMP matrix, and the resulting material (LFMP-Ag) is systematically characterized. The results reveal that partial Ag is doped into the LFMP lattice while an Ag-rich secondary phase within LFMP particles is detected, significantly enhancing the charge transfer kinetics. The Ag-doped LFMP cathodes exhibit superior discharge capacity of 142.1 mAh g−1 at 0.1 C, enhanced rate capability, better cyclic stability (92.3% retention after 300 cycles) and enhanced thermal stability, surpassing the undoped LFMP counterparts. These findings demonstrate that Ag doping is an effective strategy for optimizing the electrochemical performance of LFMP cathodes, offering a viable pathway toward advanced battery technologies. Full article
(This article belongs to the Special Issue Surface Coating Technology for Electrode Materials)
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16 pages, 7541 KB  
Article
Controllable Preparation of Si3N4@MgSiN2 Core–Shell Powders via a “Template Growth” Mechanism in NaCl-KCl Mixed Molten Salt
by Yiming Liu, Weiming Wang, Yong Mo, Lei Guo, Zheng Peng, Weide Wang and Qingsong Ma
Materials 2026, 19(7), 1475; https://doi.org/10.3390/ma19071475 - 7 Apr 2026
Abstract
Si3N4@MgSiN2 composite powder with a core–shell structure was successfully synthesized via the in situ reaction between Mg and α-Si3N4 using a NaCl–KCl mixed molten salt in this study. The effects of process parameters, including the [...] Read more.
Si3N4@MgSiN2 composite powder with a core–shell structure was successfully synthesized via the in situ reaction between Mg and α-Si3N4 using a NaCl–KCl mixed molten salt in this study. The effects of process parameters, including the molten salt system, reaction temperature, and Mg/Si3N4 mass ratio, on the morphology, phase composition, and microstructure of the coating layer were investigated. The results indicate that the reaction follows a “template growth” mechanism. Mg-containing species dissolve in the molten salt, diffuse to the surface of Si3N4 particles, and react with α-Si3N4, resulting in a relatively uniform MgSiN2 layer at 1300 °C. The yield of MgSiN2 layer exhibits a linear positive correlation with the Mg/Si3N4 mass ratio, enabling controllable microstructural regulation through adjustment of the starting materials composition. The core–shell powder forms a liquid phase at a relatively low temperature (approximately 1350 °C), demonstrating excellent sintering activity. This work provides a new material foundation for the fabrication of silicon nitride ceramics with high thermal conductivity. Full article
(This article belongs to the Section Advanced and Functional Ceramics and Glasses)
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24 pages, 3482 KB  
Article
Antibiotic-Loaded PLA Composites for Local Prevention of Implant-Associated Infections: Comparative Evaluation Against Reference Strains and Clinical Isolates
by Anastassiya Khrustaleva, Azamat Yedrissov, Dmitriy Khrustalev, Irina Losseva, Alyona Lavrinenko, Artyom Savelyev, Vladimir Kazantsev, Marlen Kiikbayev, Polina Rusyaeva, Kristina Perepelitsyna and Aigerim Donenbaeva
Antibiotics 2026, 15(4), 373; https://doi.org/10.3390/antibiotics15040373 - 6 Apr 2026
Viewed by 139
Abstract
Background/Objectives: Implant-associated infections remain among the most severe and clinically challenging complications in contemporary orthopedics, largely due to the formation of persistent bacterial biofilms and the limited penetration of systemically administered antibiotics into the tissue–implant interface. In this context, local antibacterial functionalization [...] Read more.
Background/Objectives: Implant-associated infections remain among the most severe and clinically challenging complications in contemporary orthopedics, largely due to the formation of persistent bacterial biofilms and the limited penetration of systemically administered antibiotics into the tissue–implant interface. In this context, local antibacterial functionalization of implantable materials represents a promising strategy for the prevention of early infectious complications. The objective of this study was to develop and comparatively evaluate the antimicrobial performance of PLA-based composites loaded with antibiotics from different pharmacological classes, with a view toward their potential application in individualized 3D-printed implants. Methods: Polylactic acid (PLA)-based composites incorporating gentamicin, ciprofloxacin, doxycycline, and vancomycin were fabricated using thermal processing under conditions compatible with extrusion and fused filament fabrication. Physicochemical characterization (FTIR, TGA, SEM) was performed to assess the structure and morphology of the composites, and in vitro antibiotic release studies were conducted. Antimicrobial activity was evaluated using an agar diffusion assay against ATCC reference strains and clinical isolates of methicillin-susceptible and methicillin-resistant Staphylococcus aureus (MSSA and MRSA), Klebsiella pneumoniae, and Pseudomonas aeruginosa (n = 10 per species). The antibacterial performance of the composites was evaluated in comparison with standard commercial antibiotic disks used as qualitative reference controls. Results: Antibiotic-loaded PLA composites exhibited consistent and reproducible antibacterial activity, markedly exceeding that of neat PLA. The broadest activity spectrum was observed for PLA–ciprofloxacin (≈29–36 mm) and PLA–gentamicin (≈25–27 mm), which effectively inhibited both Gram-positive and Gram-negative clinical isolates, including MRSA and P. aeruginosa. PLA–vancomycin retained selective activity against staphylococci (≈14–15 mm), whereas PLA–doxycycline demonstrated limited efficacy against Gram-negative pathogens. Physicochemical analysis confirmed successful incorporation of antibiotics without detectable degradation of the polymer structure, while release studies demonstrated sustained antibiotic release from the composite materials. Importantly, the expected pharmacological activity profiles of the antibiotics were preserved after incorporation into the polymer matrix and subsequent high-temperature processing. Conclusions: The results demonstrate the feasibility of integrating clinically relevant antibiotics into a thermoplastic PLA matrix while preserving their selective antimicrobial activity following processing compatible with extrusion and additive manufacturing. The proposed PLA-based composites can be regarded as elements of a pharmacologically tunable antibacterial platform, offering a rationale for the development of context-dependent, biodegradable, 3D-printed implants for the local prevention of implant-associated infections in the setting of increasing antimicrobial resistance. Full article
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37 pages, 8694 KB  
Article
DIGIT: An In Situ Experiment for Studying the Diffusion of Water and Solutes Under Thermal Gradient in the Toarcian Clayrock at the Tournemire URL; Part 2—Lessons Learned After 20 Months of Heat
by Maïwenn Humbezi Desfeux, Jean-Michel Matray, Aurelie Noret, Uy Vo, Son T. Nguyen, Mamadou Fall, Julio Á. I. Sedano, Charles Wittebroodt and Manuel Marcoux
Minerals 2026, 16(4), 380; https://doi.org/10.3390/min16040380 - 3 Apr 2026
Viewed by 106
Abstract
The DIGIT experiment was launched at the Tournemire Underground Research Laboratory (URL) with the aim of determining the effects of temperature on the transfer of tracers mimicking the most mobile radionuclides in the Toarcian clay rock. The properties of this rock are similar [...] Read more.
The DIGIT experiment was launched at the Tournemire Underground Research Laboratory (URL) with the aim of determining the effects of temperature on the transfer of tracers mimicking the most mobile radionuclides in the Toarcian clay rock. The properties of this rock are similar to those of the host rocks being considered for a future deep geological repository for high-level radioactive waste (HLW). The experiment involves the monitoring of the interaction between a test water doped with stable halides and deuterium at constant concentration, and the porewater of the Toarcian clay rock under constant ambient conditions, as well as at higher temperature induced by artificial heating. This experiment seeks to partially address questions regarding the potential spread of contaminants during the thermal phase of HL waste packages. Specifically, the in situ experiment aims to evaluate the role of scale effects, thermodiffusion, a process that combines Fick’s law, the Soret effect, and convection in the transfer of radionuclides. This paper is the second part of a companion paper dedicated to predictive calculations and the installation of the experimental device. It presents the main experimental and modeling results obtained since the beginning of the installation and after 20 months of heat at 70 °C. The test was carried out in five phases, finishing with a sampling campaign: a phase 0 called “initial conditions”, followed by a pure diffusion phase (5 months), then three phases in a heated period lasting 1 year and 8 months. In total, 47 rock cores were analyzed, with approximately 170 samples tested by four diffusion methods (radial, outgoing, through and in vapor-phase) to determine the tracer concentrations in the porewater, their water content and their diffusive transport parameters. The results show a decrease in tracer concentrations with distance from the test zone, in the directions parallel and perpendicular to the stratification. The anisotropy of the medium results in greater migration in the direction parallel to the stratification. Thermal properties also confirm anisotropy with a higher thermal conductivity in the direction parallel to the stratification. Finally, an activation energy of 22.9 ± 1.7 kJ·mol−1 could be proposed by NMR for deuterium, indicating diffusion behavior following an Arrhenius law between 30 and 70 °C. The experimental data allowed for the calibration of a 2D axisymmetric numerical model using the commercial finite element software COMSOL Multiphysics®. The Fick’s law corrected by an Arrhenius law best reproduces the penetration of deuterium and anions. The Soret effect, integrated into certain scenarios, is only significant for anions’ migration, using a fitted Soret coefficient of 0.1 K−1, as proposed in the literature for the Callovo-Oxfordian, the host rock of the Cigéo project in the east of France. The calibration of the simulated data with the experimental data allowed for the characterization of damaged and/or disturbed zones evolving over time. Simulations over 150 years, the duration of the thermal maximum for HLW packages, show that advection—modeled by Darcy’s law—would have a negligible role in this context due to the low permeability of the upper Toarcian. In conclusion, the DIGIT test showed that, for the Upper Toarcian clay rocks at the Tournemire URL in France, diffusion, corrected for the effect of temperature, is the mechanism that characterizes the transport of radionuclide analogues. The study showed that thermodiffusion has a limited influence on deuterium migration but remains significant for anions in the case of a coupling between temperature correction and thermodiffusion. The test also highlighted the impact of temperature on the spatiotemporal development of a damaged and/or disturbed zone. These new and relevant results in the field will need to be confirmed later through additional experiments. Full article
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21 pages, 3741 KB  
Article
Effect of cBN Addition on Phase Composition, Microstructure, Wear Resistance, and Corrosion Resistance of CoCuNiTi + x cBN (x = 0.0, 0.5, and 1.0 wt.%) High-Entropy Alloy Coatings
by Mingxing Ma, Xiaoyan Zhang, Cun Liang, Ying Dong, Zhixin Wang, Chengjun Zhu, Liang Zhao, Yanjun Xi, Deliang Zhang and Dachuan Zhu
Coatings 2026, 16(4), 422; https://doi.org/10.3390/coatings16040422 - 2 Apr 2026
Viewed by 247
Abstract
Although 45 steel is widely used in the manufacture of mechanical parts, its application in harsh working conditions is limited owing to its low hardness, poor wear resistance, and corrosion resistance. Laser cladding can enhance the performance of the working surface without sacrificing [...] Read more.
Although 45 steel is widely used in the manufacture of mechanical parts, its application in harsh working conditions is limited owing to its low hardness, poor wear resistance, and corrosion resistance. Laser cladding can enhance the performance of the working surface without sacrificing substrate toughness. CoCuNiTi HEACs with different cBN additions were successfully prepared on a 45-steel substrate. The phase structure, microstructure, elemental composition, wear, and corrosion behavior of CoCuNiTi + x cBN (x = 0.0, 0.5, and 1.0 wt.%) HEACs were investigated using XRD, OM, SEM, EDS, friction and wear tester, and electrochemical workstation, respectively. The results show that all three coatings exhibit a dual-phase structure composed of FCC and BCC phases. The addition of cBN transforms the alloy phase structure from the original FCC main phase to the BCC main phase. The incorporation of cBN significantly reduces the lattice constant and cell volume of the alloy phase. The change in the alloy phase density is negatively correlated with the cell volume. CoCuNiTi + x cBN (x = 0.0, 0.5, and 1.0 wt.%) alloys have a dendritic structure. No pores were observed in the cBN-containing sample. The content of Ti in the primary phase is the highest. Co is enriched in the dendrite region, and Cu is enriched in the interdendrite region. The significant reduction in the average segregation coefficient for cBN-containing samples is attributed to the heterogeneous nucleation of the alloy melt at lower undercooling levels and the significant increase in the diffusion rate. The friction coefficient of the alloy decreases significantly with increasing cBN content. The sample with 1.0 wt.% cBN shows the best wear resistance, mainly due to the combined effects of hard particle support, solid solution strengthening, phase interface reduction, and high thermal conductivity of cBN. The sample with 1.0 wt.% cBN has the largest capacitive arc radius and charge-transfer resistance, along with the lowest annual corrosion rate, indicating optimal corrosion resistance. This is primarily related to the reduction in pore defects caused by cBN addition, hindrance of uniform penetration of the corrosive medium by dispersed cBN particles, and increased complexity of the anodic dissolution process. CoCuNiTi HEACs reinforced by cBN can simultaneously improve the wear and corrosion resistance of the surface of the 45-steel substrate, providing a feasible strategy for the design of high-performance protective coatings. Full article
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18 pages, 2570 KB  
Article
Diff-GTISR: Guided Thermal Image Super-Resolution via Diffusion Model and Refinement
by ChaeHui Hong and Hoon Yoo
Appl. Sci. 2026, 16(7), 3435; https://doi.org/10.3390/app16073435 - 1 Apr 2026
Viewed by 219
Abstract
This paper presents Diff-GTISR, a novel diffusion-based model for achieving super-resolution in thermal images guided by a high-resolution visible image. Thermal sensors are widely used in surveillance, safety, and industrial inspection; however, their limited spatial resolution constrains thermal image quality because of the [...] Read more.
This paper presents Diff-GTISR, a novel diffusion-based model for achieving super-resolution in thermal images guided by a high-resolution visible image. Thermal sensors are widely used in surveillance, safety, and industrial inspection; however, their limited spatial resolution constrains thermal image quality because of the low resolution. Thermal image super-resolution is thus critical to compensate for this limitation. The increasing prevalence of multisensor platforms has resulted in the availability of high-resolution visible images, providing effective guidance to enhance thermal image resolution. Recently, diffusion-based super-resolution has demonstrated strong capability in recovering perceptually plausible details; however, such models often underperform in distortion-oriented metrics compared with transformer-based approaches. To address this gap, the proposed Diff-GTISR method employs a modality-specific dual encoder to extract multiscale features and a cross-modal guidance attention module to transfer structural information from visible images into low-resolution thermal images. Also, a refinement network is employed to improve the method further. The experimental results indicate that Diff-GTISR consistently enhances perceptual quality in comparison to state-of-the-art diffusion-based methods. Furthermore, it is superior to transformer-based methods in terms of distortion performance. Full article
(This article belongs to the Special Issue Computational Imaging: Algorithms, Technologies, and Applications)
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34 pages, 3519 KB  
Article
Exploring the Synergistic Effects of Ultrafine Polyaniline Nanofibers and Oxygen-Modified Multi-Walled Carbon Nanotubes on Enhancing Pseudocapacitive Electrochemical Performance for Advanced Supercapacitors
by Fahima Djefaflia, Ouanassa Guellati, Assia Nait Merzoug, Aicha Harat, Jamal El Haskouri, Izabela Janowska and Mihaela Baibarac
Materials 2026, 19(7), 1356; https://doi.org/10.3390/ma19071356 - 29 Mar 2026
Viewed by 408
Abstract
This work reports a systematic study concerning the synthesis of pure polyaniline ultrafine nanofibers (PANI-NFs) and their nanocomposites with oxygen-functionalized carbon nanotubes (PANI-NFs/O-MWCNTs) using diluted chemical polymerization and hydrothermal processes. We investigated the synergistic effects of various synthesis parameters, such as the concentration [...] Read more.
This work reports a systematic study concerning the synthesis of pure polyaniline ultrafine nanofibers (PANI-NFs) and their nanocomposites with oxygen-functionalized carbon nanotubes (PANI-NFs/O-MWCNTs) using diluted chemical polymerization and hydrothermal processes. We investigated the synergistic effects of various synthesis parameters, such as the concentration of the ammonium persulfate oxidant agent and growth temperature, on the physical, chemical, and electrochemical properties of the resulting products through structural, morphological, spectroscopic, and electrochemical characterization. Our study revealed the successful synthesis of thermally resistant polyaniline ultrafine nanofibers (PANI-NFs) in the form of emeraldine salt (ES), exhibiting a mean diameter in the range of 8–17 nm. The PANI-NFs and PANI-NFs/O-MWCNT nanocomposites demonstrated excellent electrochemical properties, with specific capacitances of up to 0.94–1.23 F cm−2 and 1410–2074 F/g, respectively, and with good rate capability. These characteristics are confirmed by the relaxation time constant τ0 (41 and 8 ms, respectively) and lower internal R0/interfacial charge transfer RՓ resistances of around 0.2 Ω, as well as diffusion coefficients of around 10−7 and 3.7 × 10−7 cm2/s. This breakthrough in nanofiber synthesis paves the way for practical applications in diverse domains, from high-performance energy storage to biosensing and beyond, where the unique electroactive properties of the nanocomposites can be leveraged to achieve exceptional results. Full article
(This article belongs to the Special Issue High-Performance Materials for Energy Conversion)
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28 pages, 4422 KB  
Article
Hemp Essential Oils as Novel Antioxidant and Bacteriostatic Agents in PLA-Based Packaging
by Eugenia Mazzara, Annafelicia Civitavecchia, Pierluigi Stipa, Cristina Minnelli, Emiliano Laudadio, Tiziano Bellezze, Pietro Forcellese, Samuele Rinaldi, Kateryna Fatyeyeva, Gianluca Morroni, Gloria D’Achille, Simona Sabbatini and Francesca Luzi
Polymers 2026, 18(7), 824; https://doi.org/10.3390/polym18070824 - 27 Mar 2026
Viewed by 312
Abstract
Poly(lactic acid) (PLA) films containing two different hemp-derived essential oils (EOs), Carmagnola CS (Carm) and Futura 75 (Fut), at 1, 5, and 10% wt were successfully produced via solvent casting for packaging applications. The influence of EO presence, type, and concentration on the [...] Read more.
Poly(lactic acid) (PLA) films containing two different hemp-derived essential oils (EOs), Carmagnola CS (Carm) and Futura 75 (Fut), at 1, 5, and 10% wt were successfully produced via solvent casting for packaging applications. The influence of EO presence, type, and concentration on the chemical, morphological, and thermal properties of the PLA-based films was investigated. In addition, radical-scavenging activity, water transport properties, and antimicrobial performance were evaluated to assess the effect of EOs on the structural and functional characteristics of the resulting packaging materials. FTIR spectroscopy confirmed the successful incorporation of the hemp essential oils Carm and Fut into the polymer matrix, with a concentration-dependent effect that is more pronounced for Fut than for Carm. In the second heating run, evaluated by DSC measurements, both EOs lowered Tg from 60.3 °C (PLA) to 52.0 °C for PLA_10 Carm and 55.1 °C for PLA_10 Fut. The EOs act as plasticizers in the PLA matrix, improving the deformation at break. Gas barrier measurements showed that permeability decreased from 3027 ± 300 Barrer (PLA) to (2499 ± 44) Barrer in PLA_10 Carm and 2623 ± 130 Barrer in PLA_10 Fut, with a corresponding reduction in diffusivity. The barrier improvement factor reached 17% for Carm and 15% for Fut, confirming the enhanced barrier performance of PLA_EOs films. DPPH assays showed that PLA_EOs films retained most of the antioxidant activity of the free oils, with only a 10–15% reduction for PLA_Fut and no significant loss for PLA_Carm after one week. After one month, the activity of Carm in PLA film decreased by 18%, whereas the performance of its free form remained unchanged, confirming the superior and more stable radical scavenging capacity of Carm compared to Fut. Overall, the study demonstrates that hemp essential oils can be effectively integrated into PLA without compromising structural integrity, while preserving antioxidant performance and enhancing water barrier properties, supporting their potential as sustainable active packaging components. Full article
(This article belongs to the Section Biobased and Biodegradable Polymers)
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28 pages, 3167 KB  
Article
Hybrid Numerical–Machine Learning Framework for Time-Fractal Carreau–Yasuda Flow: Stability, Convergence, and Sensitivity Analysis
by Yasir Nawaz, Ramy M. Hafez and Muavia Mansoor
Fractal Fract. 2026, 10(4), 221; https://doi.org/10.3390/fractalfract10040221 - 26 Mar 2026
Viewed by 221
Abstract
This study introduces a modified computational scheme for handling linear and nonlinear fractal time-dependent partial differential equations. The method is constructed using three different stages that provide third-order accuracy in the fractal time variable. The stability of the approach is examined using scalar [...] Read more.
This study introduces a modified computational scheme for handling linear and nonlinear fractal time-dependent partial differential equations. The method is constructed using three different stages that provide third-order accuracy in the fractal time variable. The stability of the approach is examined using scalar fractal models and Fourier analysis, while convergence is established for coupled convection–diffusion systems. The numerical algorithm is applied to analyze the mixed convective flow of a Carreau–Yasuda non-Newtonian fluid over stationary and oscillating plates under the influence of viscous dissipation and magnetic field effects. For spatial discretization, the incompressible continuity equation is handled by a first-order difference scheme, whereas higher-order compact schemes are implemented for the momentum, thermal, and concentration equations. The numerical findings show that increasing the Weissenberg number and magnetic field inclination reduces the velocity distribution. An accuracy assessment against existing numerical techniques demonstrates that the present method yields smaller computational errors, particularly when central difference schemes are used in space. In addition, a surrogate machine learning model is developed to predict the skin friction coefficient and local Nusselt number using Reynolds, Weissenberg, Prandtl, and Eckert numbers as input features. The predictive capability of the model is validated through Parity plots, bar charts for sensitivity analysis, scatter visualization, and Taylor Diagrams, confirming strong agreement with the numerical results. Full article
(This article belongs to the Section General Mathematics, Analysis)
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36 pages, 4577 KB  
Article
Combustion Kinetics and Reaction Mechanisms of Rice Straw During Oxy-Fuel Combustion
by Dandan Li, Qing Wang, Yufeng Pei, Xiuyan Zhang, Chang Yu, Hongpeng Zhao, Da Cui, Yan Pan and Yuqi Wang
Materials 2026, 19(7), 1321; https://doi.org/10.3390/ma19071321 - 26 Mar 2026
Viewed by 317
Abstract
Oxy-fuel combustion is a near-zero emission technology that utilizes high-concentration O2 in place of air, combined with recycled flue gas, to achieve efficient combustion and enable effective CO2 capture. In this study, air (21% O2/79% N2) was [...] Read more.
Oxy-fuel combustion is a near-zero emission technology that utilizes high-concentration O2 in place of air, combined with recycled flue gas, to achieve efficient combustion and enable effective CO2 capture. In this study, air (21% O2/79% N2) was used as the control atmosphere, and rice straw combustion experiments were conducted using thermogravimetric analysis and differential scanning calorimetry and differential scanning calorimetry coupled with mass spectrometry (TG-MS) at heating rates of 10, 20, and 30 °C/min under oxy-fuel conditions of 30% O2/70% CO2, 50% O2/50% CO2, and 70% O2/30%CO2. The combustion behavior, pollutant emissions, reaction kinetics, and underlying mechanisms were systematically evaluated. The results show that CO2 in oxy-fuel atmospheres exhibits a higher thermal inertia, due to its greater density and specific heat capacity, thereby enhancing flame stability. Oxy-fuel atmospheres reduce the ignition temperature (Tᵢ) and burnout temperature (Tf), shorten the combustion duration, shift DTG and DSC peaks to lower temperatures, and result in sharper peaks along with an increased ignition index (Cᵢ), burnout index (Cb), and comprehensive combustion index (S). Mass spectrometry (MS) analysis reveals that oxy-fuel atmospheres combined with heating rates of 20–30 °C/min suppress O2 diffusion and thermal NO formation, reducing NOx emissions by over 75% and simultaneously inhibiting the release of SO2 and COS. Kinetic analysis using the FWO and Friedman methods shows that the activation energy decreases from 210.5 kJ/mol and 219.1 kJ/mol under air conditions to 110.5 kJ/mol and 114.6 kJ/mol in oxy-fuel atmospheres, representing a reduction in reaction barriers of 47.5% and 47.7%, respectively. The reaction mechanisms were identified as three-dimensional diffusion-controlled processes at heating rates of 20–30 °C/min, and random nucleation followed by growth under high O2 concentration conditions at a heating rate of 30 °C/min. Optimizing the combustion atmosphere and heating rate enhances the rice straw combustion efficiency and reduces pollutant emissions, thereby providing theoretical support for its clean and efficient utilization. Full article
(This article belongs to the Section Energy Materials)
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31 pages, 6152 KB  
Article
Enhanced Structural Decoupling and Spatiotemporal Evolution of Thermal–Mass Coupling in LaNi5-Based Solid-State Hydrogen Storage Reactors
by Tao Wu, Yayi Wang, Yuhang Liu, Yong Gao, Rengen Ding and Jian Miao
Materials 2026, 19(7), 1308; https://doi.org/10.3390/ma19071308 - 26 Mar 2026
Viewed by 311
Abstract
Hydrogen energy is pivotal to the global energy transition, and the development of high-efficiency, safe hydrogen storage technologies constitutes a prerequisite for its large-scale commercialization. Kinetic bottlenecks including slow reactions, delayed front propagation, and marked spatial heterogeneity driven by strong thermal–mass transfer coupling [...] Read more.
Hydrogen energy is pivotal to the global energy transition, and the development of high-efficiency, safe hydrogen storage technologies constitutes a prerequisite for its large-scale commercialization. Kinetic bottlenecks including slow reactions, delayed front propagation, and marked spatial heterogeneity driven by strong thermal–mass transfer coupling restrict the engineering application of solid-state metal hydrides. However, the current research mainly focusing on overall performance lacks a systematic understanding of the spatiotemporal evolution mechanisms and their intrinsic links to internal structural control. In this work, a 3D multiphysics model of a LaNi5-based reactor is developed to systematically elucidate spatiotemporal evolution patterns, facilitating the proposal of a structural decoupling framework based on synergistic thermal–mass resistance reconfiguration. Both absorption and desorption show distinct three-stage evolution, shifting from kinetic dominance to transfer limitation: absorption causes core self-inhibition via heat-hydrogen supply mismatch, leading to much lower core than surface storage capacity; desorption results in significant inner-layer lag due to endothermic cooling-driven pressure drops. Thermal–mass coupling-induced inverted spatiotemporal evolution is identified as the root cause of spatial heterogeneity. Quantitative comparison of straight-pipe, spiral-tube, and honeycomb structures reveals that internal architectures achieve effective thermal–mass decoupling through expanded heat-exchange areas, reconstructed diffusion pathways, and optimized heat source distribution. Notably, the honeycomb structure with a parallel micro-unit network achieves 89.1% and 86.6% reductions in absorption and desorption times, respectively, showing superior dynamic performance and field uniformity. This study provides a theoretical basis for the mechanism-driven design and synergistic performance optimization of high-efficiency solid-state hydrogen storage reactors. Full article
(This article belongs to the Section Energy Materials)
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24 pages, 7599 KB  
Article
Experimental and Numerical Simulation Study on the Effect of CO2/N2 Dilution on the Generation of Soot in Ethylene Laminar Diffusion Flames
by Bing Liu, Nan Kang, Hao Huang, Zhipeng Sun and Fubin Xin
Processes 2026, 14(7), 1035; https://doi.org/10.3390/pr14071035 - 24 Mar 2026
Viewed by 223
Abstract
Against the backdrop of a low-carbon economy, the control of soot emissions from combustion processes is of paramount importance. In this study, the effects of CO2 dilution on soot formation in ethylene laminar diffusion flames are investigated through a combination of experimental [...] Read more.
Against the backdrop of a low-carbon economy, the control of soot emissions from combustion processes is of paramount importance. In this study, the effects of CO2 dilution on soot formation in ethylene laminar diffusion flames are investigated through a combination of experimental measurements and numerical simulations. In addition, a virtual species, denoted as FxCO2, is introduced to progressively decouple the individual mechanisms by which different effects suppress soot formation. The results indicate that increasing the CO2/N2 dilution ratio leads to reductions in both the peak flame temperature and the soot volume fraction, with CO2 exhibiting a more pronounced inhibitory effect than N2. The decoupling analysis reveals that the dilution effect and the chemical effect are the dominant contributors to flame temperature reduction. The soot-inhibiting effectiveness of the individual effects follows the order: dilution effect > thermal effect > chemical effect > density effect > transport effect. With respect to their influence on C2H2 concentration, the effects are ranked as: dilution effect > chemical effect > transport effect > thermal effect > density effect. The chemical effect suppresses the formation of OH radicals, thereby reducing the flame temperature and H radical concentration. In contrast, the dilution effect enhances soot oxidation by increasing the OH radical concentration, effectively inhibiting soot particle formation. Full article
(This article belongs to the Section Petroleum and Low-Carbon Energy Process Engineering)
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27 pages, 7165 KB  
Article
Protein-Modulated Stimuli-Responsive Hydrogels Based on Methacrylated Bovine Serum Albumin and pNIPAm: pH- and Temperature-Dependent Drug Release Behavior
by Muge Sennaroglu Bostan
Gels 2026, 12(3), 263; https://doi.org/10.3390/gels12030263 - 22 Mar 2026
Viewed by 349
Abstract
Hydrogels are widely investigated as drug carriers for cancer therapy due to their ability to provide sustained release and reduce systemic side effects. In this study, MeBSA–PNIPAm hydrogels were developed as dual-temperature and pH-responsive systems for gastrointestinal delivery of 5-FU. MeBSA was successfully [...] Read more.
Hydrogels are widely investigated as drug carriers for cancer therapy due to their ability to provide sustained release and reduce systemic side effects. In this study, MeBSA–PNIPAm hydrogels were developed as dual-temperature and pH-responsive systems for gastrointestinal delivery of 5-FU. MeBSA was successfully synthesized using glycidyl methacrylate and confirmed by FTIR and 1H-NMR analyses. Hydrogels with varying MeBSA/NIPA ratios were prepared via redox polymerization. DSC results showed that increasing MeBSA content shifted the phase transition temperature of hydrogels, while TGA analysis revealed enhanced thermal stability with higher MeBSA incorporation. Temperature-dependent swelling experiments further demonstrated that the VPTT slightly shifted depending on the surrounding pH, indicating that the thermoresponsive behavior of the hybrid network is influenced by the pH-dependent charge state of the protein component. Swelling studies performed at 30, 37, and 40 °C and at pH 1.2 and 7.4 confirmed dual-responsive behavior. Drug loading efficiencies above 70% were achieved for all formulations. In vitro release studies at 37 °C demonstrated distinct composition-dependent release profiles. During the first 2 h, all hydrogels exhibited controlled and limited release without burst behavior under acidic conditions. Following the transition to pH 7.4, a composition-dependent increase in drug release was observed. GEL 4 achieved the fastest and highest cumulative release (91%), whereas GEL 1 provided the most sustained release over 72 h (32%). Kinetic analysis indicated diffusion-controlled release, best described by the Weibull and Korsmeyer–Peppas models. Cytocompatibility tests showed that fibroblast viability improved with increasing MeBSA content. Overall, protein-modulated dual-responsive hydrogels offer tunable and biocompatible platforms for stimuli-responsive gastrointestinal drug delivery applications. Full article
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22 pages, 11546 KB  
Article
Expanded Polystyrene for Building Insulation: Effect of Graphite and Moisture on Thermophysical Properties
by Sereno Sacchet, Giovanni Paolo Lolato, Francesco Valentini, Maurizio Grigiante and Luca Fambri
Energies 2026, 19(6), 1558; https://doi.org/10.3390/en19061558 - 21 Mar 2026
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Abstract
Improving the energy efficiency of the building envelope is critical for global decarbonization, yet a gap remains in the comprehensive thermophysical characterization of carbon-enhanced Expanded Polystyrene (EPS). This study evaluates the impact of expansion ratios and moisture content on the thermal behavior of [...] Read more.
Improving the energy efficiency of the building envelope is critical for global decarbonization, yet a gap remains in the comprehensive thermophysical characterization of carbon-enhanced Expanded Polystyrene (EPS). This study evaluates the impact of expansion ratios and moisture content on the thermal behavior of two commercial EPS grades, EPS-A (12.7 ± 0.5 kg/m3) and EPS-B (16.0 ± 1.1 kg/m3), investigating the counterintuitive role of graphite (1.4–1.8 wt.%) in enhancing the thermal insulation properties. Thermal conductivity and diffusivity were independently determined via Transient Plane Source (TPS) and Heat Flow Meter (HFM) methods across a 10–50 °C range, while specific heat capacity (cp) was analyzed using HFM and Differential Scanning Calorimetry (DSC) through the sapphire comparison method and Temperature-Modulated DSC (TOPEM®). Methodologically, it was found that standard HFM protocols are unsuitable for cp determination in low-density foams, yielding an average relative error of ±29%; conversely, the sapphire comparison method provided the most reliable results in agreement with theoretical expectations. Results indicate that the efficacy of graphite as a radiative shield is closely coupled with cellular morphology, proving significantly more effective in the higher expansion grade (EPS-A, 70 wt.% open porosity) than in the denser EPS-B. Furthermore, 30-day water immersion tests revealed that the higher open porosity of EPS-A facilitates increased water uptake of 144 ± 17 wt.% (compared to 97 ± 7 wt.% for EPS-B), causing the geometric densities of the two grades to converge and fundamentally altering thermal transport mechanisms. The study concludes that accurate thermal modeling of carbon-enhanced insulation requires careful selection of testing parameters, particularly when accounting for moisture-induced degradation in high-porosity systems. Full article
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14 pages, 3959 KB  
Article
Mechanochemical Evolution of Ni50Ti30Zr20 Alloy During High-Energy Ball Milling
by Thobani Paul Shangase, Maria Ntsoaki Mathabathe and Charles Witness Siyasiya
Crystals 2026, 16(3), 213; https://doi.org/10.3390/cryst16030213 - 20 Mar 2026
Viewed by 219
Abstract
The fabrication of NiTiZr alloys by solid-state routes remains challenging due to limited atomic diffusion and the high reactivity of Ti and Zr. Mechanical alloying offers a potential pathway for synthesising such systems; however, complete alloy formation is not always achieved under practical [...] Read more.
The fabrication of NiTiZr alloys by solid-state routes remains challenging due to limited atomic diffusion and the high reactivity of Ti and Zr. Mechanical alloying offers a potential pathway for synthesising such systems; however, complete alloy formation is not always achieved under practical milling conditions. Researchers have infrequently explored the mechanical alloying of NiTiZr, and this study systematically investigates the effect of milling time on microstructural evolution rather than claiming complete alloy synthesis. A high-energy planetary ball mill was used to mechanically process elemental powders of Ni, Ti, and Zr for 5–28 h. The examination revealed that longer milling times resulted in progressive crystallite refinement and increased lattice strain, while particle morphology evolved from irregular to more globular shapes due to repeated fracture and cold welding. After 28 h of milling, limited reacted regions containing Ni, Ti, and Zr were observed (~4.6% area fraction), while most of the powder remained heterogeneous and polyphasic, with no evidence of complete Ni50Ti30Zr20 alloy formation. X-ray diffraction showed significant peak broadening without systematic 2θ peak shifts, indicating severe plastic deformation and crystallite refinement rather than definitive solid-solution formation of the allot. Differential scanning calorimetry revealed exothermic thermal events between 300 °C and 470 °C, which are attributed to defect recovery and thermally activated structural rearrangements rather than confirmed martensitic or crystallisation transformations. These results demonstrate that high-energy ball milling alone is effective for particle size reduction and defect generation but insufficient for producing a fully homogeneous Ni50Ti30Zr20 alloy within 28 h. Additional activation energy, such as post-milling heat treatment or extended processing, is required to promote complete alloying in this system. Full article
(This article belongs to the Section Crystalline Metals and Alloys)
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