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Keywords = direct influence diffusion

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17 pages, 905 KB  
Article
The Simplest 2D Quantum Walk Detects Chaoticity
by César Alonso-Lobo, Gabriel G. Carlo and Florentino Borondo
Mathematics 2025, 13(19), 3223; https://doi.org/10.3390/math13193223 - 8 Oct 2025
Viewed by 6
Abstract
Quantum walks are, at present, an active field of study in mathematics, with important applications in quantum information and statistical physics. In this paper, we determine the influence of basic chaotic features on the walker behavior. For this purpose, we consider an extremely [...] Read more.
Quantum walks are, at present, an active field of study in mathematics, with important applications in quantum information and statistical physics. In this paper, we determine the influence of basic chaotic features on the walker behavior. For this purpose, we consider an extremely simple model consisting of alternating one-dimensional walks along the two spatial coordinates in bidimensional closed domains (hard wall billiards). The chaotic or regular behavior induced by the boundary shape in the deterministic classical motion translates into chaotic signatures for the quantized problem, resulting in sharp differences in the spectral statistics and morphology of the eigenfunctions of the quantum walker. Indeed, we found, for the Bunimovich stadium—a chaotic billiard—level statistics described by a Brody distribution with parameter δ0.1. This indicates a weak level repulsion, and also enhanced eigenfunction localization, with an average participation ratio (PR)1150 compared to the rectangular billiard (regular) case, where the average PR1500. Furthermore, scarring on unstable periodic orbits is observed. The fact that our simple model exhibits such key signatures of quantum chaos, e.g., non-Poissonian level statistics and scarring, that are sensitive to the underlying classical dynamics in the free particle billiard system is utterly surprising, especially when taking into account that quantum walks are diffusive models, which are not direct quantizations of a Hamiltonian. Full article
(This article belongs to the Section C2: Dynamical Systems)
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19 pages, 7782 KB  
Article
Numerical Investigation on Safety Assessment of Gas Dispersion from Vent Mast for LNG-Powered Vessels
by Zhaowen Wang, Zhangjian Wang and Gang Chen
J. Mar. Sci. Eng. 2025, 13(10), 1892; https://doi.org/10.3390/jmse13101892 - 2 Oct 2025
Viewed by 226
Abstract
Conducting a safety simulation assessment of gas release from the vent mast during the design stage holds significant importance for ship design and system operation safety on LNG-powered vessels. Based on a large-scale practical LNG-powered vessel, this paper employs the CFD method to [...] Read more.
Conducting a safety simulation assessment of gas release from the vent mast during the design stage holds significant importance for ship design and system operation safety on LNG-powered vessels. Based on a large-scale practical LNG-powered vessel, this paper employs the CFD method to carry out a safety assessment of the natural gas dispersion, and proposes an optimization design method to address the issue where the vent mast height of large-scale LNG-powered vessels fails to meet specifications. The influencing factors of gas dispersion are discussed. The simulation results indicate that the vent mast height, wind direction, and wind velocity significantly affect the gas dispersion behavior. A lower vent mast height results in a greater risk of flammable gas clouds accumulating on the deck surface. Hazards analysis of the 6 m vent mast condition with windless suggests that a cryogenic explosion hazard zone is formed on the deck centered around the mast position, with the maximum gas concentration reaching 30% and the minimum temperature below −55 °C. The gas cloud spreads along the wind direction, and the extension distance is positively correlated with wind speed. With the increase in wind velocity, the height and volume of flammable gas clouds decrease. When the wind speed is 15 m/s, the volume of the flammable gas cloud is less than half of that at 5 m/s and less than one-tenth of that at 0 m/s. Higher wind velocity can notably promote gas diffusion. Full article
(This article belongs to the Special Issue Maritime Transportation Safety and Risk Management)
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22 pages, 6372 KB  
Article
Numerical Study on Hydraulic Fracture Propagation in Sand–Coal Interbed Formations
by Xuanyu Liu, Liangwei Xu, Xianglei Guo, Meijia Zhu and Yujie Bai
Processes 2025, 13(10), 3128; https://doi.org/10.3390/pr13103128 - 29 Sep 2025
Viewed by 228
Abstract
To investigate hydraulic fracture propagation in multi-layered porous media such as sand–coal interbedded formations, we present a new phase-field-based model. In this formulation, a diffuse fracture is activated only when the local element strain exceeds the rock’s critical strain, and the fracture width [...] Read more.
To investigate hydraulic fracture propagation in multi-layered porous media such as sand–coal interbedded formations, we present a new phase-field-based model. In this formulation, a diffuse fracture is activated only when the local element strain exceeds the rock’s critical strain, and the fracture width is represented by orthogonal components in the x and y directions. Unlike common PFM approaches that map the permeability directly from the damage field, our scheme triggers fractures only beyond a critical strain. It then builds anisotropy via a width-to-element-size weighting with parallel mixing along and series mixing across the fracture. At the element scale, the permeability is constructed as a weighted sum of the initial rock permeability and the fracture permeability, with the weighting coefficients defined as functions of the local width and the element size. Using this model, we examined how the in situ stress contrast, interface strength, Young’s modulus, Poisson’s ratio, and injection rate influence the hydraulic fracture growth in sand–coal interbedded formations. The results indicate that a larger stress contrast, stronger interfaces, a greater stiffness, and higher injection rates increase the likelihood that a hydraulic fracture will cross the interface and penetrate the barrier layer. When propagation is constrained to the interface, the width within the interface segment is markedly smaller than that within the coal-seam segment, and interface-guided growth elevates the fluid pressure inside the fracture. Full article
(This article belongs to the Section Energy Systems)
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13 pages, 2217 KB  
Article
Characteristics and Sources of Atmospheric Formaldehyde in a Coastal City in Southeast China
by Yiling Lin, Qiaoling Chen, Youwei Hong, Yanting Chen, Liqian Yin, Jinfang Chen, Gongren Hu, Dan Liao and Ruilian Yu
Atmosphere 2025, 16(10), 1131; https://doi.org/10.3390/atmos16101131 - 26 Sep 2025
Viewed by 289
Abstract
Atmospheric formaldehyde (HCHO) is a major component of oxygenated volatile organic compounds (OVOCs) and plays an important role in O3 formation and atmospheric oxidation capacity. In this study, seasonal observations of gaseous pollutants (HCHO, O3, peroxyacetyl nitrate (PAN), CO, NOx, [...] Read more.
Atmospheric formaldehyde (HCHO) is a major component of oxygenated volatile organic compounds (OVOCs) and plays an important role in O3 formation and atmospheric oxidation capacity. In this study, seasonal observations of gaseous pollutants (HCHO, O3, peroxyacetyl nitrate (PAN), CO, NOx, and VOCs) and ambient conditions (JHCHO, JNO2, solar radiation, temperature, relative humidity, wind speed, and wind direction) were conducted in a coastal city in southeast China. The average HCHO concentrations were 2.54 ppbv, 3.38 ppbv, 2.53 ppbv, and 1.98 ppbv in spring, summer, autumn, and winter, respectively. Diurnal variations were high in the daytime and low in the nighttime, and the peak times varied in different seasons. The correlation between HCHO and O3 was not significant in spring and winter, which is likely related to the effects of photochemical reactions and diffusion conditions. The contributions of background (23.0%), primary (47.6%), and secondary (29.4%) sources to HCHO were quantified using multiple linear regression (MLR) models, revealing that secondary formation was the most significant contributor in summer, whereas primary emissions were predominant in spring. These findings help to improve the understanding of the influence of atmospheric formaldehyde on photochemical pollution control in coastal cities. Full article
(This article belongs to the Special Issue Air Pollution in China (4th Edition))
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21 pages, 6275 KB  
Article
Influence of Bedding Angle on Mechanical Behavior and Grouting Reinforcement in Argillaceous Slate: Insights from Laboratory Tests and Field Experiments
by Xinfa Zeng, Chao Deng, Quan Yin, Yi Chen, Junying Rao, Yi Zhou and Wenqin Yan
Appl. Sci. 2025, 15(19), 10415; https://doi.org/10.3390/app151910415 - 25 Sep 2025
Viewed by 235
Abstract
Argillaceous slate (AS) is a typical metamorphic rock with well-developed bedding, widely distributed globally. Its bedding structure significantly impacts slope stability assessment, and the challenges associated with slope anchoring and support arising from bedding characteristics have become a focal point in the engineering [...] Read more.
Argillaceous slate (AS) is a typical metamorphic rock with well-developed bedding, widely distributed globally. Its bedding structure significantly impacts slope stability assessment, and the challenges associated with slope anchoring and support arising from bedding characteristics have become a focal point in the engineering field. In this study, with bedding dip angle as the key variable, mechanical tests such as uniaxial compression, triaxial compression, direct shear, and Brazilian splitting tests were conducted on AS. Additionally, field anchoring grouting diffusion tests on AS slopes were carried out. The aim is to investigate the basic mechanical properties of AS and the grout diffusion law under different bedding dip angles. The research results indicate that the bedding dip angle has a remarkable influence on the failure mode, stress–strain curve, and mechanical indices such as compressive strength and elastic modulus of AS specimens. The stress–strain curves in uniaxial and triaxial tests, as well as the stress-displacement curve in the Brazilian splitting test, all undergo four stages: crack closure, elastic deformation, crack propagation, and post-peak failure. As the bedding dip angle increases, the uniaxial and triaxial compressive strengths and elastic modulus first decrease and then increase, while the splitting tensile strength continuously decreases. The consistency of the bedding in AS causes the grout to diffuse in a near-circular pattern on the bedding plane centered around the borehole. Among the factors affecting the diffusion range of the grout, the bedding dip angle and grouting angle have a relatively minor impact, while the grouting pressure has a significant impact. A correct understanding and grasp of the anisotropic characteristics of AS and the anchoring grouting diffusion law are of great significance for slope stability assessment and anchoring design in AS areas. Full article
(This article belongs to the Special Issue Advances in Slope Stability and Rock Fracture Mechanisms)
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26 pages, 1470 KB  
Article
The Productivity Paradox: How Sustainable Supply Chain Management Mediates the Link Between Enablers and Productivity
by Mohammad Abdul Jabber, Sumaiya Islam, Md Abdur Rahim, Marjuka Parvin and Fahim Sufi
Sustainability 2025, 17(19), 8572; https://doi.org/10.3390/su17198572 - 24 Sep 2025
Viewed by 432
Abstract
Global environmental and sustainability concerns are increasingly pressuring industries in all developing economies to align their supply chain operations with ecological, social, and economic responsibilities. This study investigates the extent to which Sustainable Supply Chain Management (SSCM) enablers are influencing firm-level productivity in [...] Read more.
Global environmental and sustainability concerns are increasingly pressuring industries in all developing economies to align their supply chain operations with ecological, social, and economic responsibilities. This study investigates the extent to which Sustainable Supply Chain Management (SSCM) enablers are influencing firm-level productivity in a developing economy, and how effectively the practices of SSCM mediate this relationship. This research aims to determine the extent to which Sustainable Supply Chain Management (SSCM) enablers influence firm-level productivity in a developing economy, and how effectively SSCM practices mediates this relationship. Building on the Diffusion of Innovation (DOI) theory, the research adopts a well-structured design and employs Structural Equation Modeling (SEM) to test the designed conceptual framework. The findings show that, while direct effects of enablers on productivity are limited, SSCM practices play a critical mediating role in translating these enablers into measurable performance-based improvements. The study contributes theoretical insights by extending DOI theory into the pharmaceutical supply chain context and offers practical guidance for managers and policymakers in developing economies by seeking to enhance competitiveness through sustainable practices. Full article
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20 pages, 7089 KB  
Article
Recovery of Cu and Fe from a Sphalerite Concentrate by the MnO2–KI Leaching Oxidation System
by Aleksandar Jovanović, Dimitrije Anđić, Mladen Bugarčić, Ivana Jelić, Nela Vujović, Corby Anderson and Miroslav Sokić
Metals 2025, 15(9), 1039; https://doi.org/10.3390/met15091039 - 19 Sep 2025
Viewed by 353
Abstract
This study examined the leaching behavior of copper and iron from a sphalerite concentrate in sulfuric acid utilizing an ensemble MnO2–KI oxidizing system. The temperature was shown to significantly influence the leaching kinetics, with the efficiency notably improving between 40 °C [...] Read more.
This study examined the leaching behavior of copper and iron from a sphalerite concentrate in sulfuric acid utilizing an ensemble MnO2–KI oxidizing system. The temperature was shown to significantly influence the leaching kinetics, with the efficiency notably improving between 40 °C and 80 °C. The introduction of KI affected the balance between sulfur passivation and oxidant availability, facilitating increased leaching efficiencies. At 3 wt% KI, maximum recoveries of 82.1% Cu and 85.3% Fe were achieved, which indicates a notable decrease in surface passivation. Kinetic study analysis revealed low activation energies of 28.90 kJ mol−1 for copper and 18.94 kJ mol−1 for iron, indicating that both processes proceed readily at moderate temperature regimes. Despite being diffusion-controlled, the mechanisms of dissolution are different: iron leaching is more complicated, involving pyrite oxidation, sulfur layer formation, transformation to marcasite, and ultimately iron (III) release, whereas copper leaching involves direct interaction of chalcopyrite with the oxidants, similar to the behavior of sphalerite. Full article
(This article belongs to the Special Issue Advances in Mineral Processing and Hydrometallurgy—3rd Edition)
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27 pages, 4639 KB  
Article
Disaster Response Mechanisms for Key Technology Innovation in China’s Emergency Industry Under the New National System
by Guanyi Yu, Heng Chen, Lei Wu and Wenjun Mao
Systems 2025, 13(9), 803; https://doi.org/10.3390/systems13090803 - 15 Sep 2025
Viewed by 566
Abstract
The emergency industry refers to a comprehensive industrial system of products, technologies, and services aimed at preventing, responding to, and mitigating emergencies. The emergency industry is primarily oriented toward disaster prevention and mitigation, providing direct support to enhance societal resilience. Given the frequent [...] Read more.
The emergency industry refers to a comprehensive industrial system of products, technologies, and services aimed at preventing, responding to, and mitigating emergencies. The emergency industry is primarily oriented toward disaster prevention and mitigation, providing direct support to enhance societal resilience. Given the frequent occurrence of natural disasters and the strategic layout of global emergency technologies, it is of great practical significance to study how the science and technology systems of disaster-prone countries respond. Based on the theories of disaster economics and innovation geography, this paper constructs a mediation effect model to investigate how China improves the key technological capabilities of its emergency industry through three response pathways—demand stimulation, technological advancement, and educational enhancement—following natural disasters. The stepwise testing approach, which integrates the mediation effect model with the spatial Durbin model, consists of three stages. The first stage tests the total effect model to assess how disasters impact local key technologies and their spatial spillover on adjacent regions. The second stage examines the direct influence of disasters on the three pathways and their spatial spillover using the mediator equation. The third stage uses the outcome equation with the mediator to evaluate how the pathways affect local key technologies and neighboring regions after controlling for disaster impacts. We offer both theoretical insights and empirical evidence to support specialized research on technological diffusion induced by disasters. The result shows that although the direct negative impact of disasters is inevitable, the institutional advantages of China’s emergency rescue and innovative collaborative efforts have played a significant role in promoting key technologies. Under the new national system, China is progressively establishing a spatial framework wherein emergency products are allocated across regions, key technologies are synergistically integrated, and the development of emergency-related disciplines is promoted through regional collaboration in response to the frequent occurrence of natural disasters. This demonstrates that the advancement of key technologies in China’s emergency industry is significantly supported by inter-regional cooperation and linkage mechanisms. Full article
(This article belongs to the Topic Risk Management in Public Sector)
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17 pages, 5540 KB  
Article
Enhancing Axial Flow in Hydrokinetic Turbines via Multi-Slot Diffuser Design: A Computational Study
by Daniel Sanin-Villa, Jorge Sierra-Del Rio, Diego Hincapié Zuluaga and Steven Galvis-Holguin
Appl. Syst. Innov. 2025, 8(5), 129; https://doi.org/10.3390/asi8050129 - 11 Sep 2025
Viewed by 452
Abstract
Straight-walled diffusers can boost the power density of horizontal-axis hydrokinetic turbines (HKTs), but are prone to boundary layer separation when the divergence angle is too large. We perform a systematic factorial study of three diffuser configurations, slotless, mid-length single-slot, and outlet-slot with dual [...] Read more.
Straight-walled diffusers can boost the power density of horizontal-axis hydrokinetic turbines (HKTs), but are prone to boundary layer separation when the divergence angle is too large. We perform a systematic factorial study of three diffuser configurations, slotless, mid-length single-slot, and outlet-slot with dual divergence angles, using a two-dimensional, transient SST kω Reynolds-averaged Navier–Stokes model validated against wind tunnel data (maximum error 6.4%). Eight geometries per configuration are generated through a 23 Design of Experiments with variation in the divergence angle, flange or slot position, and inlet section. The optimal outlet-slot design re-energises the boundary layer, shortens the recirculation zone by more than 50%, and raises the mean axial velocity along the diffuser centreline by 12.6% compared with an equally compact slotless diffuser, and by 42.6% relative to an open flow without a diffuser. Parametric analysis shows that the slot position in the radial (Y) direction and the first divergence angle have the strongest influence on velocity augmentation. In contrast, the flange angle and axial slot location (X) are second-order effects. The results provide fabrication-friendly guidelines, restricted to straight walls and a single slot, that are capable of improving HKT performance in shallow or remote waterways where complex curved diffusers are impractical. The study also identifies key geometric and turbulence model sensitivities that should be addressed in future three-dimensional and multi-slot investigations. Full article
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26 pages, 730 KB  
Review
Nature-Based Approaches for Managing Bioavailable Phosphorus in Aquatic Ecosystems
by Marcela Pavlíková, Klára Odehnalová, Štěpán Zezulka, Eliška Maršálková, Adéla Lamaczová and Blahoslav Maršálek
Hydrology 2025, 12(9), 236; https://doi.org/10.3390/hydrology12090236 - 10 Sep 2025
Viewed by 710
Abstract
High levels of phosphorus cause eutrophication, leading to water blooms and making the water undesirable in aquatic environments. Surface water pollution by phosphorus (P) is caused by both point and diffuse sources. Despite the recent technological advancements in wastewater phosphorus removal, this element [...] Read more.
High levels of phosphorus cause eutrophication, leading to water blooms and making the water undesirable in aquatic environments. Surface water pollution by phosphorus (P) is caused by both point and diffuse sources. Despite the recent technological advancements in wastewater phosphorus removal, this element persists in aquatic ecosystems, particularly in sediments, often in non-bioavailable forms (in the case of precipitation by aluminum salts) or within biomass associated with high concentrations of heavy metals, rendering it unsuitable for reuse. In this paper, we review the measures and methods commonly used for reducing or removing bioavailable phosphorus, with a focus on the strategies and methods for direct in situ phosphorus removal or reuse, including the use of microbial biofilms and aquatic macrophytes, natural and constructed wetlands, and biotised (biologically enhanced) solid-phase sorbents or woodchip bioreactors. This paper also highlights the significance of bioavailable phosphorus from both the hydrochemical perspectives, examining phosphorus speciation, solubility, and the geochemical interactions influencing mobility in water and sediments, and the biological perspectives, which consider phosphorus uptake, bioaccumulation in aquatic organisms, and the role of microbial and plant communities in modulating phosphorus cycling. This overview presents sustainable phosphorus management approaches that are key to reducing eutrophication and supporting ecosystem health. Full article
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29 pages, 2415 KB  
Review
Recent Advances in 3D Bioprinting of Porous Scaffolds for Tissue Engineering: A Narrative and Critical Review
by David Picado-Tejero, Laura Mendoza-Cerezo, Jesús M. Rodríguez-Rego, Juan P. Carrasco-Amador and Alfonso C. Marcos-Romero
J. Funct. Biomater. 2025, 16(9), 328; https://doi.org/10.3390/jfb16090328 - 4 Sep 2025
Viewed by 1644
Abstract
3D bioprinting has emerged as a key tool in tissue engineering by facilitating the creation of customized scaffolds with properties tailored to specific needs. Among the design parameters, porosity stands out as a determining factor, as it directly influences critical mechanical and biological [...] Read more.
3D bioprinting has emerged as a key tool in tissue engineering by facilitating the creation of customized scaffolds with properties tailored to specific needs. Among the design parameters, porosity stands out as a determining factor, as it directly influences critical mechanical and biological properties such as nutrient diffusion, cell adhesion and structural integrity. This review comprehensively analyses the state of the art in scaffold design, emphasizing how porosity-related parameters such as pore size, geometry, distribution and interconnectivity affect cellular behavior and mechanical performance. It also addresses advances in manufacturing methods, such as additive manufacturing and computer-aided design (CAD), which allow the development of scaffolds with hierarchical structures and controlled porosity. In addition, the use of computational modelling, in particular finite element analysis (FEA), as an essential predictive tool to optimize the design of scaffolds under physiological conditions is highlighted. This narrative review analyzed 112 core articles retrieved primarily from Scopus (2014–2025) to provide a comprehensive and up-to-date synthesis. Despite recent progress, significant challenges persist, including the lack of standardized methodologies for characterizing and comparing porosity parameters across different studies. This review identifies these gaps and suggests future research directions, such as the development of unified characterization and classification systems and the enhancement of nanoscale resolution in bioprinting technologies. By integrating structural design with biological functionality, this review underscores the transformative potential of porosity research applied to 3D bioprinting, positioning it as a key strategy to meet current clinical needs in tissue engineering. Full article
(This article belongs to the Special Issue Bio-Additive Manufacturing in Materials Science)
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22 pages, 817 KB  
Article
Incorporating Spectral and Directional Leaf Reflectance into Virtual Plant Models via Phong Shader Parameter Fitting
by Jens Balasus, Felix Wirth, Alexander Herzog and Tran Quoc Khanh
Plants 2025, 14(17), 2775; https://doi.org/10.3390/plants14172775 - 4 Sep 2025
Viewed by 489
Abstract
Accurate light simulations using virtual plant models are essential for analyzing how plant structures influence the micro-light climate within canopies. Such simulations are increasingly important in applications including remote sensing, greenhouse optimization, and synthetic data generation for agricultural systems. However, many current models [...] Read more.
Accurate light simulations using virtual plant models are essential for analyzing how plant structures influence the micro-light climate within canopies. Such simulations are increasingly important in applications including remote sensing, greenhouse optimization, and synthetic data generation for agricultural systems. However, many current models simplify leaf optical behavior by assuming purely diffuse reflectance, thereby neglecting the spectral and angular variability described by the bidirectional reflectance distribution function (BRDF). To address this limitation, the spectral BRDF of cucumber leaves was experimentally measured and corresponding Phong reflectance model parameters were determined for use in the GroIMP simulation environment. These parameters were optimized to replicate the angular and spectral reflectance distribution patterns and evaluated against a diffuse reflectance model. The Phong model successfully reproduced key features of the BRDF, particularly the increased diffuseness in the green and far-red spectral regions, although deviations in hemispherical reflectance emerged at high incidence angles. The resulting Phong parameters offer a practical method for incorporating wavelength- and direction-dependent reflectance into virtual plant simulations. These parameters can be adapted to other reflectance values of leaves with similar optical properties using hemispherical reflectance measurements, enabling more realistic light modeling in virtual canopies. Within a 30–60° incidence, the Phong BRDF reduced per-wavelength error relative to a diffuse baseline across all spectral regions. Full article
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8 pages, 893 KB  
Article
W/Si Multilayer Mirrors for Soft X-Ray Wavelengths < 2.4 nm
by Denys Sevriukov, Sergiy Yulin, Sven Schröder and Andreas Tünnermann
Surfaces 2025, 8(3), 65; https://doi.org/10.3390/surfaces8030065 - 2 Sep 2025
Viewed by 450
Abstract
W/Si multilayer mirrors are a promising candidate for soft X-ray applications at wavelengths below 2.4 nm. However, their optical performance is strongly affected by interface roughness and interlayer mixing, which limits reflectivity. One approach to improving interface quality is the application of BIAS [...] Read more.
W/Si multilayer mirrors are a promising candidate for soft X-ray applications at wavelengths below 2.4 nm. However, their optical performance is strongly affected by interface roughness and interlayer mixing, which limits reflectivity. One approach to improving interface quality is the application of BIAS voltage during deposition. In this study, W/Si multilayer mirrors with bilayer thickness of ~1.5 nm and 100 bilayers were fabricated using DC magnetron sputtering, with ion assistance of 75 V, 100 V, and 200 V applied during the deposition of silicon layers. Grazing incidence X-ray reflectivity (GIXR) measurements at Cu Kα (λ = 0.154 nm) showed that applying BIAS ≤ 100 V reduced interface roughness and increased reflectivity, with a maximum effect observed at 75 V. In contrast, at 200 V, strong diffusion intermixing reduced the bilayer thickness to 1.29 nm and nearly eliminated reflectivity. Soft X-ray reflectivity measurements at λ ~ 1.5 nm confirmed that ion assistance improved optical performance, increasing mirror reflectivity from ~1% (BIAS = 0 V) to ~2.3% (BIAS = 75 V). Atomic force microscopy (AFM) measurements also demonstrated a reduction in surface roughness from 0.22 nm to 0.11 nm due to using ion assistance. These results indicate that moderate ion assistance (<100 V) can enhance the optical quality of W/Si multilayer mirrors by reducing interface roughness, while excessive BIAS (>100 V) leads to diffusion intermixing and optical degradation. The novelty of this work lies in the direct application and variation in BIAS voltage during Si-layer growth, enabling detailed investigation of its influence on interface roughness and reflectivity. This approach provides a simple and effective tool for optimizing the performance of W/Si multilayer mirrors for soft X-ray applications. Full article
(This article belongs to the Special Issue Surface Engineering of Thin Films)
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18 pages, 5631 KB  
Article
Large-Scale Molecular Dynamics of Anion-Exchange Membranes: Molecular Structure of QPAF-4 and Water Transport
by Tetsuro Nagai, Takumi Kawaida and Koji Yoshida
Membranes 2025, 15(9), 266; https://doi.org/10.3390/membranes15090266 - 2 Sep 2025
Viewed by 868
Abstract
Understanding the molecular structure and water transport behavior in anion-exchange membranes (AEMs) is essential for advancing efficient and cost-effective alkaline fuel cells. In this study, large-scale all-atom molecular dynamics simulations of QPAF-4, a promising AEM material, were performed at multiple water uptakes ( [...] Read more.
Understanding the molecular structure and water transport behavior in anion-exchange membranes (AEMs) is essential for advancing efficient and cost-effective alkaline fuel cells. In this study, large-scale all-atom molecular dynamics simulations of QPAF-4, a promising AEM material, were performed at multiple water uptakes (λ = 2, 3, 6, and 13). The simulated systems comprised approximately 1.4 to 2.1 million atoms and spanned approximately 26 nm, thus enabling direct comparison with both wide-angle X-ray scattering (WAXS) and small-angle X-ray scattering (SAXS) experiments. The simulations successfully reproduced experimentally observed structure factors, accurately capturing microphase-separated morphologies at the mesoscale (~8 nm). Decomposition of the SAXS profile into atom pairs suggests that increasing water uptake may facilitate the aggregation of fluorinated alkyl chains. Furthermore, the calculated pair distribution functions showed excellent agreement with WAXS data, suggesting that the atomistic details were accurately reproduced. The water dynamics exhibited strong dependence on hydration level: At low water uptake, mean squared displacement showed persistent subdiffusive behavior even at long timescales (~200 ns), whereas almost normal diffusion was observed when water uptake was high. These results suggest that water mobility may be significantly influenced by nanoconfinement and strong interactions exerted by polymer chains and counterions under dry conditions. These findings provide a basis for the rational design and optimization of high-performance membrane materials. Full article
(This article belongs to the Special Issue Design, Synthesis and Applications of Ion Exchange Membranes)
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19 pages, 5460 KB  
Article
Estimation of PM2.5 Transport Fluxes in the North China Plain and Sichuan Basin: Horizontal and Vertical Perspectives
by Zhida Zhang, Xiaoqi Wang, Zheng Wang, Jing Li and Yuanming Jia
Atmosphere 2025, 16(9), 1040; https://doi.org/10.3390/atmos16091040 - 1 Sep 2025
Viewed by 486
Abstract
In this study, the PM2.5 pollution transport budget in the atmospheric boundary layer (ABL) of Beijing–Tianjin–Hebei (BTH) and Chengdu–Chongqing (CY) was quantitatively evaluated from the perspective of horizontal and vertical exchange. Based on the aircraft meteorological data relay (AMDAR) observation data, the [...] Read more.
In this study, the PM2.5 pollution transport budget in the atmospheric boundary layer (ABL) of Beijing–Tianjin–Hebei (BTH) and Chengdu–Chongqing (CY) was quantitatively evaluated from the perspective of horizontal and vertical exchange. Based on the aircraft meteorological data relay (AMDAR) observation data, the study found that the vertical exchange process of pollutants is mainly influenced by the combined effects of meteorological conditions and topographical factors. Meteorological factors determine the direction and intensity of the vertical exchange, while the complexity of the terrain affects the exchange pattern through local circulation and air flow convergence. The characteristics of the pollution transport budget between the BTH and CY regions show that the BTH region has a net output of pollutants throughout the year, while the CY region has a net input of pollutants. The total transport budget of the four typical representative seasons in BTH is negative. It indicated that BTH, as the region with the highest intensity of air pollution emission in China, is dominated by outward transport of air pollutants to surrounding regions. Due to the influence of topographic and meteorological conditions in the CY region, the air pollutants tend to accumulate in the basin rather than diffuse. The transport budget relationship of the four seasons is positive and the input of air pollutants can be obviously simulated. Combined with the results of the vertical wind profile, Beijing is more vulnerable to the prevailing cold air sinking in the northwest in winter, which is characterized by the inflow of the free troposphere (FT) into the ABL. As for Chongqing, it is blocked by mountains so that the gas convection at the top of the ABL is obvious. This horizontal convergence phenomenon induces upward vertical movement, which makes Chongqing show a strong characteristic of the ABL transport to the FT. Full article
(This article belongs to the Section Air Quality)
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