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Keywords = dynamic mechanical properties

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29 pages, 1821 KB  
Review
Thermal Effects in Microfluidic Electrokinetic Flows: From Limitation to Design Opportunity
by Tamal Roy
Micromachines 2026, 17(4), 498; https://doi.org/10.3390/mi17040498 (registering DOI) - 20 Apr 2026
Abstract
Microfluidic electrokinetic flows play a central role in applications such as lab-on-a-chip diagnostics, microelectronics cooling, and biomedical sample manipulation. These systems involve intricate heat transfer processes, including Joule heating from ionic currents, temperature-driven flow instabilities, and coupled thermal–fluid interactions, that crucially affect device [...] Read more.
Microfluidic electrokinetic flows play a central role in applications such as lab-on-a-chip diagnostics, microelectronics cooling, and biomedical sample manipulation. These systems involve intricate heat transfer processes, including Joule heating from ionic currents, temperature-driven flow instabilities, and coupled thermal–fluid interactions, that crucially affect device performance, reliability, and scalability. Current challenges include non-equilibrium charge dynamics, incomplete thermophysical property data for complex fluids, and thermal crosstalk in integrated platforms. This review summarizes the literature published over the past 20 years, with occasional reference to earlier work, covering the fundamental mechanisms of heat generation and dissipation in electrokinetic microflows; analytical, numerical, and experimental approaches for characterizing thermal effects; and discussion on the limitations and application-driven opportunities. It also highlights open questions and future research directions and offers a comprehensive view of design principles and guidelines for developing robust, thermally optimized electrokinetic microfluidic technologies. Full article
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20 pages, 4119 KB  
Article
Multiple-Dynamic-Bond Cross-Linked Injectable Antibacterial Hydrogel Sealants with Self-Healing for Wound Healing
by Tingting Wei, Yunrui Cao, Shuo Yang, Yu Song, Yanjun Liu, Hu Hou, Jie Xu and Changhu Xue
Gels 2026, 12(4), 340; https://doi.org/10.3390/gels12040340 (registering DOI) - 19 Apr 2026
Abstract
Chronic wounds resulting from bacterial infection remain one of the main challenges in clinical practice. There is a pressing need to develop an injectable hydrogel sealant with multifunctional properties, including remodeling capabilities, self-healing, painless removal, and antibacterial activity, to promote tissue remodeling. In [...] Read more.
Chronic wounds resulting from bacterial infection remain one of the main challenges in clinical practice. There is a pressing need to develop an injectable hydrogel sealant with multifunctional properties, including remodeling capabilities, self-healing, painless removal, and antibacterial activity, to promote tissue remodeling. In this work, aldehyde carboxymethylated agarose (ACMA) is employed for the first time as a bio-template. Dopamine (DA) is introduced onto the ACMA template via a reversible Schiff-base reaction, endowing it with biomineralization properties to synthesize DA-modified ACMA-Ag nanoparticles (ACMA-DA-Ag). Further, the prepared ACMA-DA-Ag, which possesses both antibacterial activity and injectable behavior, is incorporated into a guar gum hydrogel through the formation of borate/diol bonds, thereby forming a multiple-dynamic-bond crosslinked network. This hydrogel demonstrates adequate mechanical strength, injectability, remodeling capabilities, and self-healing performance. It can reassemble into a new hydrogel within 4 ± 0.6 min upon simple physical contact, and supports tissue adhesion. Furthermore, the hydrogel effectively covers irregular-shaped wound and can be removed without causing secondary injury. More importantly, this multifunctional hydrogel is cost-effective, easy to synthesize, and simple to use, significantly accelerating skin regeneration and promoting the formation of skin appendages, such as hair follicles. The outcome of this research not only serves a tissue sealant for wound healing, but also presents a new strategy for creating novel polysaccharide-based biomaterials. Full article
(This article belongs to the Section Gel Chemistry and Physics)
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26 pages, 19775 KB  
Article
Composite Materials Based on L-Polylactide with Titanium or Titanium Dioxide Nanoparticles: Dark Antibacterial Activity Through ROS Generation
by Dmitriy E. Burmistrov, Pavel A. Ivliev, Dmitriy A. Serov, Ilya V. Baimler, Alexander V. Simakin, Sergei O. Liubimovskii, Maxim E. Astashev, Valeriy A. Kozlov, Alena A. Nastulyavichus, Guliya R. Nizameeva, Fatikh M. Yanbaev and Sergey V. Gudkov
J. Compos. Sci. 2026, 10(4), 214; https://doi.org/10.3390/jcs10040214 (registering DOI) - 19 Apr 2026
Abstract
Modification of PLA with functional nanoparticles is a promising approach for imparting new properties to the material. In this work, titanium nanoparticles (Ti NPs) and titanium dioxide nanoparticles (TiO2 NPs) were synthesized by laser ablation and characterized by dynamic light scattering, spectrophotometry, [...] Read more.
Modification of PLA with functional nanoparticles is a promising approach for imparting new properties to the material. In this work, titanium nanoparticles (Ti NPs) and titanium dioxide nanoparticles (TiO2 NPs) were synthesized by laser ablation and characterized by dynamic light scattering, spectrophotometry, and transmission electron microscopy. The average hydrodynamic diameter of Ti NPs was 12 nm, while that of TiO2 NPs was 24 nm; both dispersions possessed a positive zeta potential (23–27 mV) and spherical morphology. L-PLA composite films containing 0.1 wt.% Ti NPs or TiO2 NPs were obtained by solution casting. Atomic force and modulation-interference microscopy confirmed the uniform distribution of nanoparticles within the polymer matrix, although partial aggregation was observed. The introduction of TiO2 NPs increased the water contact angle. Mechanical testing revealed a significant reinforcing effect: the addition of 0.1 wt.% NPs increased the Young’s modulus by 62–68% and the ultimate tensile strength by 16–18% while maintaining a ductile fracture pattern with elongation at break up to ~8%. Both types of composites generated reactive oxygen species (ROS) in aqueous solutions: Ti NPs increased H2O2 production by 5.5 times and TiO2 NPs by 4.9 times, and they also induced the formation of hydroxyl radicals. The accumulation of 8-oxoguanine in DNA and long-lived oxidized protein species confirmed the materials’ ability to cause oxidative damage to biomacromolecules. For E. coli, growth inhibition reached 40.5% (for composites with Ti NPs) and 71% (for composites with TiO2 NPs). The effect was even more pronounced for S. aureus, where inhibition levels were approximately 70% and 80%, respectively; flow cytometry confirmed the strong bactericidal effect, showing that materials containing TiO2 NPs increased the proportion of dead cells to 25% for E. coli and ~68% for S. aureus. Cytotoxicity assessment on human fibroblasts (HSF) demonstrated the high biocompatibility of neat L-PLA and composites with Ti NPs (viability > 95%) and with TiO2 NPs (viability ~93%). The obtained results indicate that L-PLA-based composites with Ti NPs and TiO2 NPs exhibit pronounced ROS-mediated antibacterial activity without additional UV irradiation. These findings position these materials as highly promising candidates for active biodegradable food packaging to extend shelf-life and for biomedical devices, such as wound dressings and implants, where reducing the risk of bacterial colonization is critical. Full article
(This article belongs to the Special Issue The Properties and Applications of Advanced Functional Biocomposites)
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24 pages, 11871 KB  
Article
Machine Learning-Based Prediction of Micromechanical Properties of GAP-BPS Binders Using Molecular Simulation Data
by Haitao Zheng, Wei Zhou, Peng Cao, Xianqiong Tang, Xing Zhou and Boyuan Yin
Coatings 2026, 16(4), 495; https://doi.org/10.3390/coatings16040495 (registering DOI) - 18 Apr 2026
Abstract
The crosslinked binders formed by using glycidyl azide polymer (GAP) as the binder matrix and bis-propargyl succinate (BPS) as the curing agent have good application prospects in the field of solid propellants. Aiming at the shortcomings of traditional experimental research, such as high [...] Read more.
The crosslinked binders formed by using glycidyl azide polymer (GAP) as the binder matrix and bis-propargyl succinate (BPS) as the curing agent have good application prospects in the field of solid propellants. Aiming at the shortcomings of traditional experimental research, such as high cost, and molecular dynamics (MD) simulation, which are time-consuming for complex combination problems, this study will realize accurate prediction of the mechanical properties of binders through machine learning (ML) based on the molecular simulation dataset. Firstly, 273 sets of GAP-BPS binder models under different conditions were formed based on 21 crosslinking degrees and 13 temperatures, and MD simulation and mechanical property simulation were carried out. Then, the initial conditions of molecular simulation (crosslinking degree, temperature) and structural parameters (free volume) were taken as features, and the bulk modulus and shear modulus were taken as labels to form the dataset. Three machine learning models were trained and evaluated based on this dataset to test their prediction performance. Based on the cross-validation results, the Tabular Prior Data Fitting Network (TabPFN) exhibits the highest average prediction values (the average R2 for bulk modulus and shear modulus were 0.9684 and 0.8827, respectively). But the significance analysis reveals that TabPFN significantly outperforms the RF model only in predicting bulk modulus. In subsequent prediction tasks with smaller datasets, TabPFN achieves superior average prediction values compared with RF and XGBoost. Full article
(This article belongs to the Section Functional Polymer Coatings and Films)
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20 pages, 672 KB  
Article
Quantum Correlations in Classical Systems
by Ghenadie N. Mardari
Quantum Rep. 2026, 8(2), 35; https://doi.org/10.3390/quantum8020035 (registering DOI) - 18 Apr 2026
Viewed by 30
Abstract
A classical fluid splitter produces the same patterns of energy redistribution as a Stern–Gerlach quantum device, with rotationally invariant coefficients of correlation between molecular paths. Alternative settings express a cosine squared relationship, leading to Tsirelson-type Bell violations with outcome independence. This result confirms [...] Read more.
A classical fluid splitter produces the same patterns of energy redistribution as a Stern–Gerlach quantum device, with rotationally invariant coefficients of correlation between molecular paths. Alternative settings express a cosine squared relationship, leading to Tsirelson-type Bell violations with outcome independence. This result confirms the Correspondence Principle of quantum mechanics, where individual detection events express system-level properties according to Born’s Rule. Kochen–Specker contextuality and Bell Locality are not formally contradicted, but their interpretation is in question. Current definitions of “Local Realism” are limited to intrinsic particle properties. In contrast, quantum-like correlations require the acknowledgement of ensemble effects on dynamically inseparable entities, even when those entities are observed one at a time. Full article
19 pages, 8652 KB  
Article
Unravelling the Interaction Mechanism Between Oryzanol and Human Serum Albumin: An Integrated Approach Using Multispectral Analysis and Molecular Simulations
by Chenge Zhang, Siyi Zhu, Shanshan Duan, Keyu Meng, Menglin Guo, Lanlan Wei, Jiayi Shi and Fuqiang Liang
Foods 2026, 15(8), 1420; https://doi.org/10.3390/foods15081420 (registering DOI) - 18 Apr 2026
Viewed by 41
Abstract
Gamma-oryzanol (Ory), a major bioactive constituent of rice bran oil, has attracted increasing attention because of its antioxidant and cholesterol-lowering properties. In this study, the interactions between Ory and human serum albumin (HSA) and the underlying molecular mechanisms were investigated. The quenching of [...] Read more.
Gamma-oryzanol (Ory), a major bioactive constituent of rice bran oil, has attracted increasing attention because of its antioxidant and cholesterol-lowering properties. In this study, the interactions between Ory and human serum albumin (HSA) and the underlying molecular mechanisms were investigated. The quenching of HSA fluorescence by Ory occurred via a mixed mechanism, indicating the formation of a stable complex. Thermodynamic analyses and molecular dynamics showed that the HSA-Ory complex was stabilised primarily by hydrogen bonding and van der Waals interactions. Moreover, competitive site marker experiments, complemented by molecular docking and MM-PBSA calculations revealed that Ory specifically targets site I of HSA, engaging in stable interactions with critical residues such as Trp214 and Lys199. Additionally, the dissociation behaviour of Ory was explored using steered molecular dynamics simulations, highlighting the role of specific amino acid residues in regulating the dissociation of Ory from HSA site I. Overall, this study provided molecular insights into the binding mechanisms and interactions between HSA and Ory. Full article
(This article belongs to the Section Food Analytical Methods)
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21 pages, 9132 KB  
Article
PLA Biocomposites Reinforced with Cinnamon-Treated Flax Fibers
by Magdalena Stepczyńska, Alona Pawłowska and Rafał Malinowski
Materials 2026, 19(8), 1632; https://doi.org/10.3390/ma19081632 (registering DOI) - 18 Apr 2026
Viewed by 41
Abstract
In this research, PLA biocomposites reinforced with 20 wt% flax fibers modified with 1, 5, 10, and 20% concentrations of trans-cinnamic acid (TC) were prepared. The materials were systematically characterized to evaluate their structural, thermal, viscoelastic, surface, and functional properties. Thermal stability and [...] Read more.
In this research, PLA biocomposites reinforced with 20 wt% flax fibers modified with 1, 5, 10, and 20% concentrations of trans-cinnamic acid (TC) were prepared. The materials were systematically characterized to evaluate their structural, thermal, viscoelastic, surface, and functional properties. Thermal stability and phase transitions were analyzed using thermogravimetric analysis (TG) and differential scanning calorimetry (DSC), while viscoelastic behavior and molecular relaxation processes were investigated by dynamic mechanical analysis (DMA). To elucidate failure mechanisms and interfacial quality, fracture surface morphology after tensile testing was observed using scanning electron microscopy (SEM). Surface wettability was determined through water contact angle measurements, and antibacterial activity against Escherichia coli and Staphylococcus aureus was evaluated to assess the functional potential of the developed biocomposites. The results demonstrated that moderate fiber modification improved interfacial adhesion and enhanced thermo-mechanical performance. The highest contact angles were observed for 5% and 10% TC concentrations, indicating increased surface hydrophobicity, while strong antibacterial activity (R ≥ 6) was achieved for 10% and 20% TC. The research confirms that trans-cinnamic acid concentration governs multiple structure–property relationships, enabling controlled tuning of mechanical reinforcement and antibacterial functionality. Full article
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18 pages, 2195 KB  
Article
Divergent Microbial and Enzymatic Drivers Regulate Particulate and Mineral-Associated Organic Carbon During Alpine Meadow Restoration
by Guanghua Jing, Mengmeng Wen, Xue Zhao, Wanyu He, Fazhu Zhao, Jun Wang and Sha Zhou
Agriculture 2026, 16(8), 898; https://doi.org/10.3390/agriculture16080898 (registering DOI) - 18 Apr 2026
Viewed by 55
Abstract
Particulate organic carbon (POC) and mineral-associated organic carbon (MAOC) are two operationally defined fractions frequently used in studies related to soil organic carbon (SOC) dynamics. However, the changes and governing mechanisms of these fractions, particularly along a restoration chronosequence, remain poorly understood. Here, [...] Read more.
Particulate organic carbon (POC) and mineral-associated organic carbon (MAOC) are two operationally defined fractions frequently used in studies related to soil organic carbon (SOC) dynamics. However, the changes and governing mechanisms of these fractions, particularly along a restoration chronosequence, remain poorly understood. Here, we investigated changes in SOC fractions, soil properties, and microbial communities across a restoration chronosequence (1, 5, 7, 13, and 20 years) of alpine meadows using a space-for-time substitution approach on the Qinghai–Tibet Plateau. We quantified the contributions of biotic and abiotic drivers using Spearman correlation analysis, linear regression and random forest analysis. The results revealed a unimodal pattern in SOC, POC, and MAOC contents, peaking at 7, 5, and 7 years, respectively, with no further increase thereafter. Restoration duration strongly shaped microbial community structure and observed species richness, but had no significant effect on Shannon index and Pielou index. Random forest analysis identified soil water content (SWC) and total nitrogen (TN) as the primary predictors of SOC. The microbial community composition dominated the variation in POC while enzyme activity was the key driver of MAOC. Our findings highlight that soil carbon accumulation during alpine meadow restoration is a nonlinear process with a temporal threshold, and POC and MAOC are regulated by distinct biotic and abiotic mechanisms. This study provides a theoretical basis for understanding carbon sequestration mechanisms during alpine meadow restoration and developing sustainable grassland management strategies. Full article
(This article belongs to the Section Agricultural Soils)
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20 pages, 336 KB  
Article
Experiential Processing and Consumer Loyalty Behavior: The Moderating Role of Cognitive Value Evaluation in Peruvian Consumer Markets
by Aldahir Brincel Burgos Cabanillas, Norka Maricielo Paredes Chuquilín and Marco Agustín Arbulú Ballesteros
Behav. Sci. 2026, 16(4), 602; https://doi.org/10.3390/bs16040602 - 17 Apr 2026
Viewed by 177
Abstract
Understanding the psychological mechanisms underlying consumer loyalty behavior constitutes a central challenge for the behavioral sciences. Despite growing research on experiential marketing, limited attention has been directed toward understanding the conditional cognitive mechanisms that determine when and how consumption experiences translate into stable [...] Read more.
Understanding the psychological mechanisms underlying consumer loyalty behavior constitutes a central challenge for the behavioral sciences. Despite growing research on experiential marketing, limited attention has been directed toward understanding the conditional cognitive mechanisms that determine when and how consumption experiences translate into stable loyalty patterns, particularly in emerging market contexts where consumer behavior dynamics differ substantially from those in mature economies. The present study examines how experiential processing influences the formation of behavioral loyalty patterns, considering the moderating role of cognitive value evaluation. A quantitative, correlational, cross-sectional design was employed with a sample of 500 consumers from retail businesses in Pueblo Nuevo, Peru. The instruments demonstrated adequate psychometric properties (α > 0.88; AVE > 0.50). The results of the moderation analysis using PROCESS Model 1 revealed that the model explains 79.9% of the variance in loyalty behavior (R2 = 0.799, p < 0.001). The interaction effect was significant (B = 0.10, p < 0.001), confirming that cognitive value evaluation moderates the relationship between experiential processing and behavioral loyalty. Simple slopes analysis showed that the effect of experiential processing on loyalty intensifies as perceived value increases, ranging from B = 0.56 at low levels to B = 0.77 at high levels. The Johnson–Neyman criterion identified the transition point at 14.80. These findings contribute to consumer behavior theory by demonstrating that consumption experiences require a favorable cognitive evaluation to translate into stable behavioral loyalty patterns, with implications for Sustainable Development Goal 8 concerning sustainable economic growth. These results advance consumer behavior theory by providing an integrative moderating framework applicable beyond the Peruvian context, and offer retail managers a diagnostic tool for calibrating experiential strategies based on consumer value perception thresholds. Full article
16 pages, 6938 KB  
Article
Response and Failure of Pillar–Backfill Composite Materials Under Cyclic Loading: The Role of Pillar Width
by Qinglin Shan, Changrui Shao, Hengjie Luan, Sunhao Zhang, Chuming Pang, Yujing Jiang and Lujie Wang
Materials 2026, 19(8), 1625; https://doi.org/10.3390/ma19081625 - 17 Apr 2026
Viewed by 90
Abstract
In the deep mining of metal mines, the stability of pillar–backfill composite materials (PBCMs) under cyclic loading is crucial for preventing dynamic disasters in goafs. Although previous studies have extensively investigated backfill materials under static loading, the damage evolution mechanism of PBCM under [...] Read more.
In the deep mining of metal mines, the stability of pillar–backfill composite materials (PBCMs) under cyclic loading is crucial for preventing dynamic disasters in goafs. Although previous studies have extensively investigated backfill materials under static loading, the damage evolution mechanism of PBCM under cyclic disturbance—particularly the coupled effects of pillar width and disturbance amplitude—remains insufficiently understood. To address this gap, this study explored the mechanical properties and damage evolution of PBCM under cyclic loading using an indoor testing system. Tests were conducted on composite specimens with varying pillar widths (6, 9, 12, 15 mm) and disturbance amplitudes (3, 4, 5 MPa), combined with acoustic emission (AE), digital image correlation (DIC), and scanning electron microscopy (SEM). Results show that wide-pillar specimens (≥12 mm) exhibit significantly improved bearing strength and deformation modulus, with increases of nearly 90% and over 40%, respectively, compared to narrow-pillar specimens. Notably, wide pillars maintain over 95% strength stability even under 5 MPa cyclic disturbances. Narrow pillars are prone to localized damage concentration with high-frequency AE signals and shear failure, while wide pillars exhibit uniform damage development. Failure morphology confirms that pillar size dictates failure mode: narrow pillars undergo sudden through failure, whereas wide pillars display progressive composite failure, with fewer damage-induced cavities and directional crack propagation along maximum shear stress. These findings provide a theoretical basis for stope structure optimization and dynamic disaster prevention in deep mines. Full article
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19 pages, 3717 KB  
Article
Molecular Dynamics Study of the Sintering Behavior and Mechanical Properties of Cu@Ag Core–Shell Nanoparticle Solder Paste
by Xuezhi Zhang, Jian Gao and Lanyu Zhang
Materials 2026, 19(8), 1612; https://doi.org/10.3390/ma19081612 - 17 Apr 2026
Viewed by 119
Abstract
Silver-coated copper (Cu@Ag) core–shell nanoparticles are promising interconnect materials for electronic packaging due to their high conductivity, oxidation resistance, and reduced use of precious metals. However, the key factors governing their sintering behavior and mechanical performance are not fully understood. In this study, [...] Read more.
Silver-coated copper (Cu@Ag) core–shell nanoparticles are promising interconnect materials for electronic packaging due to their high conductivity, oxidation resistance, and reduced use of precious metals. However, the key factors governing their sintering behavior and mechanical performance are not fully understood. In this study, molecular dynamics simulations were performed to examine the effects of sintering pressure (300–700 MPa), temperature (500–700 K), particle size, and silver shell thickness on atomic diffusion, microstructural evolution, and mechanical properties. Results show that higher pressure improves particle contact, accelerates densification, and strengthens interfacial bonding, with optimal performance achieved at 600–700 MPa. Elevated temperatures enhance atomic mobility, promoting neck growth and pore elimination, with the most active diffusion observed between 650 K and 700 K. Particle size and shell thickness also affect sintering: the Ag6Cu3 configuration exhibits the highest atomic mobility and a balanced combination of strength and ductility. Moderately thick silver shells facilitate surface diffusion and interfacial interdiffusion, while mechanisms such as the Kirkendall effect and local plastic relaxation reduce defect density, yielding stable sintered structures. These findings provide atomic-scale insights into the sintering mechanisms of Cu@Ag nanoparticle solder pastes and offer guidance for optimizing processing parameters in high-performance electronic packaging applications. Full article
(This article belongs to the Section Advanced Nanomaterials and Nanotechnology)
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19 pages, 5925 KB  
Article
Femtosecond Laser-Engineered Sustainable Glass Surfaces with Tunable Wettability Properties for Photovoltaic System Applications
by Emil Filipov, Liliya Angelova, Aleksandra Zhelyazkova and Albena Daskalova
Nanomaterials 2026, 16(8), 475; https://doi.org/10.3390/nano16080475 - 17 Apr 2026
Viewed by 173
Abstract
This study investigates the femtosecond laser surface texturing approach to tune the wetting properties of glass substrates applied for photovoltaic panels. Two types of microstructured LIPSS-containing motifs—parallel channels and intersecting (crossing) patterns—were fabricated and evaluated through comprehensive durability tests, including thermal cycling, UV [...] Read more.
This study investigates the femtosecond laser surface texturing approach to tune the wetting properties of glass substrates applied for photovoltaic panels. Two types of microstructured LIPSS-containing motifs—parallel channels and intersecting (crossing) patterns—were fabricated and evaluated through comprehensive durability tests, including thermal cycling, UV exposure, chemical immersion, mechanical abrasion, and dust retention assessment. Wettability measurements showed that both textures exhibit stable hydrophilicity behavior, with the intersecting patterns exhibiting the fastest wetting dynamics; in many cases, complete surface wetting occurred within the first few minutes, preventing a measurable contact angle at later stages. The durability tests caused only minor smoothing of the textured features, and the overall micro- and nanostructures remained intact. Optical characterization revealed that the laser-induced textures maintained high transmittance with no significant degradation after environmental exposure. Overall, the results demonstrate that femtosecond laser texturing provides a robust, coating-free method for producing stable and tunable wetting behavior on glass, offering a promising pathway for the future creation of durable, highly hydrophilic self-cleaning surfaces in photovoltaic systems. Full article
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25 pages, 10703 KB  
Article
Damage Evolution and Acoustic Emission Characteristics of Continuously Graded Cemented Gangue Filling Bodies
by Wenwen Zhao, Jian Gong, Huazhe Jiao, Liuhua Yang and Yingran Liu
Buildings 2026, 16(8), 1572; https://doi.org/10.3390/buildings16081572 - 16 Apr 2026
Viewed by 198
Abstract
The particle size of aggregate is a key factor affecting the mechanical properties and deformation capacity of cemented gangue filling body. In this study, coal gangue with a particle size range of (0.05, 20) mm was sieved into six groups of aggregate particles. [...] Read more.
The particle size of aggregate is a key factor affecting the mechanical properties and deformation capacity of cemented gangue filling body. In this study, coal gangue with a particle size range of (0.05, 20) mm was sieved into six groups of aggregate particles. Based on the Talbot gradation theory, cubic specimens with gradation indices n = 0.3, 0.4, 0.5, 0.6, and 0.7 were prepared for acoustic emission (AE) monitoring tests. The microstructure of the filling body was analyzed, and the failure characteristics and damage evolution laws of the cemented gangue filling body with different gradation indices were explored. The results show that the compressive strength reaches its maximum when n = 0.5. As the gradation index increases, the compressive strength of the specimens first increases and then decreases, and the specimens shift from primarily experiencing cleavage failure to shear failure. The curve of cumulative AE ringing count shows a bimodal distribution pattern, with both surge points and fracture points coexisting. The surge points can be regarded as precursor signals of backfill failure. The spatiotemporal evolution of AE events exhibits complex phased changes. An excessively small gradation index tends to form micropores and striped microcracks, reducing the compactness of the microstructure. An excessively large gradation index can lead to the formation of penetrative weak channels. A reasonable gradation index enables the mutual interlocking of aggregate particles, constructing a stable three-dimensional spatial skeleton structure. The dynamic trend of damage in the filling body can be captured based on AE analysis, and reverse guidance can be provided for parameter optimization of Talbot gradation, achieving a dynamic closed loop of “gradation design-AE monitoring-damage assessment-parameter optimization”. This not only enriches the application scenarios of acoustic emission analysis in graded materials, but also provides a new research approach and technical method for gradation design and safety assessment in scenarios where particle sizes are missing in practical engineering. Full article
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21 pages, 1974 KB  
Article
Unveiling Hf-O Clusters Nucleation from Fe-Cr-Al Alloys by Molecular Dynamics Simulations
by Yang Luo, Ke Tao, Lei Cao, Guocheng Wang and Gang Li
Crystals 2026, 16(4), 268; https://doi.org/10.3390/cryst16040268 - 16 Apr 2026
Viewed by 113
Abstract
The precipitation of nanoscale HfO2 plays a critical role in the high-temperature creep properties of Fe-Cr-Al electrical heating alloys. However, the atomic-scale initial nucleation and growth mechanisms remain unclear, hindering the precise design of precipitates based on Hf microalloying. In this study, [...] Read more.
The precipitation of nanoscale HfO2 plays a critical role in the high-temperature creep properties of Fe-Cr-Al electrical heating alloys. However, the atomic-scale initial nucleation and growth mechanisms remain unclear, hindering the precise design of precipitates based on Hf microalloying. In this study, classical molecular dynamics simulations implemented in LAMMPS were employed to investigate the formation and evolution of Hf-O clusters at 1773 K, 1873 K, and 2000 K. The Fe-Cr-Al-Hf-O system was described by hybrid potential functions, whose reliability was verified by lattice-parameter calculations in good agreement with literature values. The simulation results demonstrate that Hf atoms and O atoms attract each other, forming stable Hf-O clusters. At higher temperatures, the diffusion capabilities of Hf and O atoms are enhanced, the number of Hf-O bonds grows, and the size of the largest cluster expands, indicating that elevated temperatures promote cluster growth. The calculated diffusion activation energy of Hf and O atoms indicates that increasing temperature promotes O atom diffusion more significantly. Analysis of the cluster radius of pair gyration and average atomic energy reveals that Hf-O clusters formed at 1873 K exhibit more compact and stable structural characteristics. Radial distribution function analysis further revealed that the atomic arrangement of neighboring atoms in Hf-O clusters closely resembles the relaxed HfO2 crystal structure at the same temperature, indicating that Hf-O clusters serve as critical nucleation cores promoting the precipitation of HfO2 crystals. This study elucidates the dynamic formation mechanism and structural evolution of Hf-O clusters in Fe-Cr-Al alloys at the atomic scale, providing valuable guidance for the optimized design of precise control over HfO2 nanoprecipitates. Full article
(This article belongs to the Section Crystalline Metals and Alloys)
20 pages, 5141 KB  
Article
Mechanism and Characteristics of Phosphorus Release from Sediments in Drawdown Zone Under Inundation/Drying Cycles
by Huanhuan Yang, Fulan Zhang, Jing Liu and Dayong Cui
Toxics 2026, 14(4), 332; https://doi.org/10.3390/toxics14040332 - 16 Apr 2026
Viewed by 182
Abstract
Phosphorus release from sediments significantly influences eutrophication in shallow lakes; however, its dynamics in drawdown zones under alternating inundation and drying cycles remain understudied. This study investigates the mechanisms of phosphorus release from sediments in the drawdown zone of Nansi Lake, a key [...] Read more.
Phosphorus release from sediments significantly influences eutrophication in shallow lakes; however, its dynamics in drawdown zones under alternating inundation and drying cycles remain understudied. This study investigates the mechanisms of phosphorus release from sediments in the drawdown zone of Nansi Lake, a key reservoir along the eastern route of the South-to-North Water Diversion Project. Through field sampling and laboratory simulations, we analyzed the impact of inundation duration, physicochemical properties, and organic matter decomposition on phosphorus release. In Container a (first inundation period), phosphorus was rapidly released at the beginning of inundation, with total phosphorus (TP) in the overlying water increasing from 1.92 mg/L to 2.68 mg/L, and in the interstitial water from 8.45 mg/L to 15.24 mg/L. The second inundation period showed the highest phosphorus release, with TP reaching 3.61 mg/L in the overlying water and 21.51 mg/L in the interstitial water. Inorganic phosphorus dominated the release, with dissolved inorganic phosphorus (DIP) accounting for a higher proportion of TP than dissolved organic phosphorus (DOP). Changes in pH, oxidation-reduction potential (ORP), dissolved oxygen (DO), and total organic carbon (TOC) significantly influenced phosphorus distribution. The decomposition of organic matter during inundation increased dissolved organic matter levels, thereby affecting phosphorus release. These findings provide valuable insights into phosphorus dynamics and highlight the need for integrated management strategies to mitigate internal phosphorus loading and prevent eutrophication in Nansi Lake, offering guidance for water quality management and ecological protection in similar shallow lake systems. Full article
(This article belongs to the Section Ecotoxicology)
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