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17 pages, 6833 KB  
Article
Hydrogen-Blended Natural Gas Leakage and Diffusion Characteristics Simulation and Ventilation Strategy in Utility Tunnels
by Penghui Xiao, Xuan Zhang and Xuemei Wang
Energies 2025, 18(17), 4504; https://doi.org/10.3390/en18174504 (registering DOI) - 25 Aug 2025
Abstract
To ensure the safe and reliable operation of hydrogen-blended natural gas (HBNG) pipelines in urban utility tunnels, this study conducted a comprehensive CFD simulation of the leakage and diffusion characteristics of HBNG in confined underground environments. Utilizing ANSYS CFD software (2024R1), a three-dimensional [...] Read more.
To ensure the safe and reliable operation of hydrogen-blended natural gas (HBNG) pipelines in urban utility tunnels, this study conducted a comprehensive CFD simulation of the leakage and diffusion characteristics of HBNG in confined underground environments. Utilizing ANSYS CFD software (2024R1), a three-dimensional physical model of a utility tunnel was developed to investigate the influence of key parameters, such as leak sizes (4 mm, 6 mm, and 8 mm)—selected based on common small-orifice defects in utility tunnel pipelines (e.g., corrosion-induced pinholes and minor mechanical damage) and hydrogen blending ratios (HBR) ranging from 0% to 20%—a range aligned with current global HBNG demonstration projects (e.g., China’s “Medium-Term and Long-Term Plan for Hydrogen Energy Industry Development”) and ISO standards prioritizing 20% as a technically feasible upper limit for existing infrastructure, on HBNG diffusion behavior. The study also evaluated the adequacy of current accident ventilation standards. The findings show that as leak orifice size increases, the diffusion range of HBNG expands significantly, with a 31.5% increase in diffusion distance and an 18.5% reduction in alarm time as the orifice diameter grows from 4 mm to 8 mm. Furthermore, hydrogen blending accelerates gas diffusion, with each 5% increase in HBR shortening the alarm time by approximately 1.6 s and increasing equilibrium concentrations by 0.4% vol. The current ventilation standard (12 h−1) was found to be insufficient to suppress concentrations below the 1% safety threshold when the HBR exceeds 5% or the orifice diameter exceeds 4 mm—thresholds derived from simulations showing that, under 12 h−1 ventilation, equilibrium concentrations exceed the 1% safety threshold under these conditions. To address these gaps, this study proposes an adaptive ventilation strategy that uses variable-frequency drives to adjust ventilation rates in real time based on sensor feedback of gas concentrations, ensuring alignment with leakage conditions, thereby ensuring enhanced safety. These results provide crucial theoretical insights for the safe design of HBNG pipelines and ventilation optimization in utility tunnels. Full article
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14 pages, 1630 KB  
Article
Properties of Stress and Deformation of Internal Geomembrane–Clay Seepage Control System for Rockfill Dam on Deep Overburden
by Baoyong Liu, Haimin Wu, Wansheng Wang and Qiankun Liu
Appl. Sci. 2025, 15(17), 9324; https://doi.org/10.3390/app15179324 (registering DOI) - 25 Aug 2025
Abstract
An internal geomembrane (GMB)–clay seepage control system is an important form of seepage control structure for rockfill dams. In order to investigate the stress and deformation characteristics of GMB in GMB–clay core-wall rockfill dams (GMCWRD) under different construction and operation conditions, the stress [...] Read more.
An internal geomembrane (GMB)–clay seepage control system is an important form of seepage control structure for rockfill dams. In order to investigate the stress and deformation characteristics of GMB in GMB–clay core-wall rockfill dams (GMCWRD) under different construction and operation conditions, the stress and deformation fields of GMCWRDs were calculated by numerical simulation under a variety of working conditions. The stress and deformation characteristics of the dam and GMB during the impoundment period were investigated, and the influences of the spreading thickness of the clay core-wall and the location of the GMB defects and hydraulic head on the stress and deformation of the GMB were analyzed. The results show that the maximum tensile strain of the GMB upstream of the clay core-wall during the impoundment period occurs at the anchorage of the GMB and the concrete cut-off, with a maximum tensile strain of 2.70%. With the increase in the spreading thickness of the clay core-wall, the maximum tensile stress and strain of the GMB fluctuated. Under the dam construction and foundation conditions in this paper, when the spreading thickness of the clay core-wall was 2 m, the tensile stress and strain of GMB were at the lowest level. As the defect location of the GMB decreases, the phreatic line of the dam gradually increases, and the seepage discharge of the dam and the tensile strain of the GMB gradually increase, with the maximum tensile strain of 3.98%. The maximum deformation of the GMB in each case is much smaller than the maximum elastic deformation range of the selected PVC GMB, and the conclusion of the study provides a certain scientific basis for the design and construction of the seepage control of the core rockfill dam. Full article
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16 pages, 4253 KB  
Article
Tailoring the Electronic and Structural Properties of Lead-Free A2ZrX6 “Defect” Perovskites: A DFT Study on A-Site Cation and Halogen Substitutions
by Christina Kolokytha, Demeter Tzeli and Nektarios N. Lathiotakis
Materials 2025, 18(17), 3976; https://doi.org/10.3390/ma18173976 (registering DOI) - 25 Aug 2025
Abstract
Lead-free A2ZrX6 “defect” perovskites hold significant potential for many optoelectronic applications due to their stability and tunable properties. Extending a previous work, we present a first-principles density functional theory (DFT) study, utilizing PBE and HSE06 functionals, to systematically investigate the [...] Read more.
Lead-free A2ZrX6 “defect” perovskites hold significant potential for many optoelectronic applications due to their stability and tunable properties. Extending a previous work, we present a first-principles density functional theory (DFT) study, utilizing PBE and HSE06 functionals, to systematically investigate the impact of A-site cation and X-site halogen substitutions on the structural and electronic properties of these materials. We varied the A-site cation, considering ammonium, methylammonium, dimethylammonium, trimethylammonium, and phosphonium, and the X-site halogen, trying Cl, Br, and I. Our calculations reveal that both these substitutions significantly affect the band gap and the lattice parameters. Increasing A-site cation size generally enlarges the unit cell, while halogen electronegativity directly correlates with the band gap, yielding the lowest values for iodine-containing systems. We predict a broad range of band gaps (from ~4.79 eV for (PH4)2ZrCl6 down to ~2.11 eV for MA2ZrI6 using HSE06). The (PH4)2ZrX6 compounds maintain cubic crystal symmetry, unlike the triclinic of the ammonium-derived systems. Finally, our calculations show that the MA cation yields the smallest band gap among the ones studied, a result that is attributed to its size and the charges of the hydrogen atoms attached to nitrogen. Thus, our findings offer crucial theoretical insights into A2ZrX6 structure–property relationships, demonstrating how A-site cation and halogen tuning enables control over electronic and structural characteristics, thus guiding future experimental efforts for tailored lead-free perovskite design. Full article
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21 pages, 11638 KB  
Article
The Influence of Manufacturing Parameters and Heat Treatments on the Properties of AlSi10Mg Alloy Produced Using L-PBF
by Gleicy de Lima Xavier Ribeiro, Luis Reis, Rene de Oliveira, Marcos Massi, Rodolfo Luiz Gonçalves and Antônio Augusto Couto
Metals 2025, 15(9), 941; https://doi.org/10.3390/met15090941 (registering DOI) - 25 Aug 2025
Abstract
AlSi10Mg has been one of the most studied and employed aluminum alloys for additive manufacturing via laser powder-bed fusion (L-PBF). The optimization of manufacturing parameters is important for reducing internal defects, including porosity and inadequate surface finishes. In addition, heat treatments, such as [...] Read more.
AlSi10Mg has been one of the most studied and employed aluminum alloys for additive manufacturing via laser powder-bed fusion (L-PBF). The optimization of manufacturing parameters is important for reducing internal defects, including porosity and inadequate surface finishes. In addition, heat treatments, such as T6, are often applied to this alloy, but they degrade the characteristic microstructure obtained via L-PBF additive manufacturing—the fine cellular structures—which may, in turn, detrimentally affect the material’s properties. In this context, a new alternative to this treatment, direct aging (DA), has shown promise in improving the mechanical properties of AlSi10Mg parts produced via L-PBF, since it preserves the cellular microstructure, precipitating silicon-rich nanoparticles within the cells. Understanding how different temperatures and heat treatment times influence the microstructure and, consequently, the properties remains a field to be explored in order to optimize the treatment conditions and achieve better mechanical properties. Thus, the objective of this study was to evaluate the influence of manufacturing parameters and heat treatments on the microstructure and mechanical properties of AlSi10Mg alloy. The optimized manufacturing conditions were 300 W power, 800 mm/s scan speed, 30 µm layer thickness, and an argon atmosphere, which led to lower porosity and better finishing. Samples were heat-treated via DA at 150 °C and 170 °C for different times, as well as undergoing a T6 treatment (solution at 520 °C followed by aging at 150 °C and 170 °C). Initially, the aging curves show higher hardness values for the direct aging condition, compared to the T6 and as-built conditions, reaching a peak hardness of 195 HV for 6h of direct aging. In this way, it was followed with microstructural characterization, which demonstrated that DA maintained the fine cell microstructure of L-PBF and promoted the precipitation of Si nanoparticles, which certainly contributed to the increase in hardness compared to T6, which promoted a structure with coarser precipitates. DA at 170 °C for 6 h increased the tensile strength to 430 MPa, compared to the as-built condition, with a slight loss of ductility. Full article
(This article belongs to the Special Issue Light Alloy and Its Application (2nd Edition))
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16 pages, 4102 KB  
Article
Research on Active Defense System for Transformer Early Fault Based on Fiber Leakage Magnetic Field Measurement
by Junchao Wang, Yaqi Liu, Jian Mao, Shaoyong Liu, Zhixiang Tong, Xiangli Deng and Wenbin Tan
Energies 2025, 18(17), 4497; https://doi.org/10.3390/en18174497 - 24 Aug 2025
Abstract
In the early faults of transformer windings, there are obvious variation characteristics of the spatial leakage magnetic field. Taking the leakage magnetic field as the fault characteristic quantity can establish an active defense system for transformer defects and faults, thereby increasing the service [...] Read more.
In the early faults of transformer windings, there are obvious variation characteristics of the spatial leakage magnetic field. Taking the leakage magnetic field as the fault characteristic quantity can establish an active defense system for transformer defects and faults, thereby increasing the service life of the equipment. However, the installation method of the optical fiber leakage magnetic field sensor, the principle of leakage magnetic field protection, the research and development of the protection device, and the dynamic model testing of the protection device are all key links in realizing the leakage magnetic field monitoring and active defense system. This paper first analyzes the symmetry of the winding leakage magnetic field, proposes invasive and non-invasive installation methods for optical fiber sensors based on different application scenarios, presents the principle of leakage magnetic field differential protection, and develops a protection device. The feasibility of the protection scheme proposed in this paper was verified through dynamic model experiments, and the early fault active defense system was put into actual on-site operation. Full article
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17 pages, 3430 KB  
Article
The Influence of Support Basicity on the Adsorption of Lead on the (100) Surface of Alkaline Earth Metal Oxide Crystals
by Piotr Matczak
Crystals 2025, 15(9), 748; https://doi.org/10.3390/cryst15090748 - 23 Aug 2025
Viewed by 163
Abstract
Supports used in heterogeneous metallic catalysts serve as a structural skeleton across which metallic nanoparticles are dispersed, but specific properties of the supports may also determine the behavior of these nanoparticles in catalytic processes. For example, it is known that among various properties [...] Read more.
Supports used in heterogeneous metallic catalysts serve as a structural skeleton across which metallic nanoparticles are dispersed, but specific properties of the supports may also determine the behavior of these nanoparticles in catalytic processes. For example, it is known that among various properties of crystalline alkaline earth metal oxides serving as supports, the ability of their surface sites to donate electrons, that is their basicity, has an influence on the characteristics of the adsorbed metal. In the present work, the influence of MeO (Me = Mg, Ca, and Sr) basicity on the adsorption of Pb on the (100) surface of MeO crystals is studied by means of a dispersion-corrected density functional theory (DFT-D) computational method. The DFT-D calculations have characterized essential structural parameters, energetics, and the distribution of the electron charge for the Pb atoms and Pb dimers adsorbed at the regular O2− and defective Fs centers of MeO(100). It has been observed that an increase in the basicity of MeO(100) in the sequence MgO < CaO < SrO results in a more energetically favorable effect of Pb adsorption, a stronger interaction between Pb and the surface, and a greater amount of electron charge acquired by the adsorbed Pb atoms and dimers. These findings contribute to a better understanding of how support basicity may modulate certain characteristics of MeO-supported metallic catalysts containing Pb as an additive. From a computational viewpoint, this work shows that the inclusion of spin–orbit relativistic correction in the DFT-D calculations leads to a significant reduction in the strength of the interaction between Pb and MeO(100), but it does not change the aforementioned trend in the strength of this interaction as a function of support basicity. Full article
(This article belongs to the Special Issue Density Functional Theory (DFT) in Crystalline Material)
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18 pages, 8385 KB  
Article
Flow Field Simulation and Experimental Study of Electrode-Assisted Oscillating Electrical Discharge Machining in the Cf-ZrB2-SiC Micro-Blind Hole
by Chuanyang Ge, Sirui Gong, Junbo He, Kewen Wang, Jiahao Xiu and Zhenlong Wang
Materials 2025, 18(17), 3944; https://doi.org/10.3390/ma18173944 - 22 Aug 2025
Viewed by 94
Abstract
In the micro-EDM blind-hole machining of Cf-ZrB2-SiC ceramics, defects such as bottom surface protrusion and machining fillets are often encountered. The implementation of an electrode-assisted oscillating device has proven effective in improving machining outcomes. To unravel the fundamental reasons [...] Read more.
In the micro-EDM blind-hole machining of Cf-ZrB2-SiC ceramics, defects such as bottom surface protrusion and machining fillets are often encountered. The implementation of an electrode-assisted oscillating device has proven effective in improving machining outcomes. To unravel the fundamental reasons behind the optimization enabled by this auxiliary oscillating device, this paper presents fluid simulation research, providing a quantitative comparison of the differences in machining gap flow field characteristics and debris motion behaviors under conditions with and without the assistance of the oscillating device. Firstly, this paper briefly describes the characteristics of Cf-ZrB2-SiC discharge products and flow field deficiencies during conventional machining and introduces the working principle of electrode-assisted oscillation devices to establish the background and objectives of the simulation study. Subsequently, this research established simulation models for both conventional machining and oscillating machining based on actual processing conditions. CFD numerical simulations were conducted to compare flow field differences between conditions with and without auxiliary machining devices. The results demonstrate that, compared to conventional machining, electrode oscillation not only increases the maximum velocity of the working fluid by nearly 32% but also provides a larger debris accommodation space, effectively preventing secondary discharge. Regarding debris agglomeration, oscillating machining resolves the low-velocity zone issues present in conventional modes, increasing debris velocity from 0 mm/s to 7.5 mm/s and ensuring continuous debris motion. Furthermore, the DPM was used to analyze particle distribution and motion velocities, confirming that vortex effects form within the hole under oscillating conditions. These vortices effectively draw bottom debris outward, preventing local accumulation. Finally, from the perspective of debris distribution, the formation mechanisms of micro-hole morphology and the tool electrode wear patterns were explained. Full article
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26 pages, 1288 KB  
Review
Lithium Niobate Crystal Preparation, Properties, and Its Application in Electro-Optical Devices
by Yan Zhang, Xuefeng Xiao, Jiayi Chen, Han Zhang, Yan Huang, Jiashun Si, Shuaijie Liang, Qingyan Xu, Huan Zhang, Lingling Ma, Cui Yang and Xuefeng Zhang
Inorganics 2025, 13(9), 278; https://doi.org/10.3390/inorganics13090278 - 22 Aug 2025
Viewed by 74
Abstract
Lithium Niobate (LiNbO3, LN) crystals are multifunctional optical materials with excellent electro-optical, acousto-optical, and nonlinear optical properties, and their broad spectral transparency makes them widely used in electro-optical modulators, tunable filters, and beam deflectors. Near Stoichiometric Lithium Niobate (NSLN) crystals have [...] Read more.
Lithium Niobate (LiNbO3, LN) crystals are multifunctional optical materials with excellent electro-optical, acousto-optical, and nonlinear optical properties, and their broad spectral transparency makes them widely used in electro-optical modulators, tunable filters, and beam deflectors. Near Stoichiometric Lithium Niobate (NSLN) crystals have a lithium to niobium ratio ([Li]/[Nb]) close to 1:1,demonstrate superior performance characteristics compared to composition lithium niobate (Congruent Lithium Niobate (CLN), [Li]/[Nb] = 48.5:51.5) crystals. NSLN crystals have a lower coercive field (~4 kV/mm), higher electro-optic coefficient ( 𝛾33= 38.3 pm/V), and better nonlinear optical properties. This paper systematically reviews the research progress on preparation methods, the physical properties of LN and NSLN crystals, and their applications in devices such as electro-optical modulators, optical micro-ring resonators, and holographic storage. Finally, the future development direction of NSLN crystals in the preparation process (large-size single-crystal growth and defect control) and new electro-optical devices (low voltage deflectors based on domain engineering) is envisioned. Full article
16 pages, 1328 KB  
Article
Low-Frequency Noise Characteristics of Graphene/h-BN/Si Junctions
by Justinas Glemža, Ingrida Pliaterytė, Jonas Matukas, Rimantas Gudaitis, Andrius Vasiliauskas, Šarūnas Jankauskas and Šarūnas Meškinis
Crystals 2025, 15(9), 747; https://doi.org/10.3390/cryst15090747 - 22 Aug 2025
Viewed by 178
Abstract
Graphene/h-BN/Si heterostructures show considerable potential for future use in infrared detection and photovoltaic technologies due to their adjustable electrical behavior and well-matched interfacial structure. The near-lattice match between graphene and hexagonal boron nitride (h-BN) enables the deposition of low-defect-density graphene on h-BN surfaces. [...] Read more.
Graphene/h-BN/Si heterostructures show considerable potential for future use in infrared detection and photovoltaic technologies due to their adjustable electrical behavior and well-matched interfacial structure. The near-lattice match between graphene and hexagonal boron nitride (h-BN) enables the deposition of low-defect-density graphene on h-BN surfaces. This study presents a thorough exploration of the low-frequency electrical noise behavior of graphene/h-BN/Si heterojunctions under both forward and reverse bias conditions at room temperature. Graphene nanolayers were directly grown on h-BN films using microwave plasma-enhanced CVD. The h-BN layers were formed by reactive high-power impulse magnetron sputtering (HIPIMS). Four h-BN thicknesses were examined: 1 nm, 3 nm, 5 nm, and 15 nm. A reference graphene/Si junction (without h-BN) prepared under identical synthesis conditions was also studied for comparison. Low-frequency noise analysis enabled the identification of dominant charge transport mechanisms in the different device structures. Our results demonstrate that grain boundaries act as dominant defects contributing to increased noise intensity under high forward bias. Statistical analysis of voltage noise spectral density across multiple samples, supported by Raman spectroscopy, reveals that hydrogen-related defects significantly contribute to 1/f noise in the linear region of the junction’s current–voltage characteristics. This study provides the first in-depth insight into the impact of h-BN interlayers on low-frequency noise in graphene/Si heterojunctions. Full article
(This article belongs to the Special Issue Recent Advances in Graphene and Other Two-Dimensional Materials)
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18 pages, 6936 KB  
Article
Anisotropic Behavior in Microstructures and Properties of Refractory Tungsten Metal Produced by Laser Powder Bed Fusion
by Jinguo Ge, Heming Wu, Hongsen Liu, Yanan Zhu, Yan Chen, Wangwei Zhan, Liang Zhang and Zhuming Liu
Materials 2025, 18(16), 3910; https://doi.org/10.3390/ma18163910 - 21 Aug 2025
Viewed by 228
Abstract
This work employed laser powder bed fusion (LPBF) technology to prepare pure tungsten (W) metal components and investigated their internal defects, microstructural characteristics and mechanical properties within the horizontal and vertical planes to evaluate their anisotropic behavior. The steep temperature gradient and extremely [...] Read more.
This work employed laser powder bed fusion (LPBF) technology to prepare pure tungsten (W) metal components and investigated their internal defects, microstructural characteristics and mechanical properties within the horizontal and vertical planes to evaluate their anisotropic behavior. The steep temperature gradient and extremely rapid cooling rate during the LPBF process caused the as-deposited W grains to grow in a columnar crystal structure along the vertical height direction, with cracks propagating along the high-angle grain boundaries (HAGBs). Although the near-equiaxed W grains within the horizontal plane were finer than the epitaxial grains within the vertical plane, the increased number of cracks within the horizontal plane weakened the fine-grained strengthening effect, resulting in lower hardness and wear resistance within the horizontal plane than within the vertical plane. The wear behavior transformed from a comprehensive wear mechanism involving delamination wear and abrasive wear within the vertical plane to an abrasive wear mechanism with slight adhesive wear within the horizontal plane. The reported results demonstrate that the anisotropic behavior of hardness and wear resistance within the different deposition planes was mainly attributed to the differences in microstructure and crack distribution between the horizontal and vertical planes of LPBF-fabricated W parts. Full article
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31 pages, 4278 KB  
Article
Acoustic Analysis of Semi-Rigid Base Asphalt Pavements Based on Transformer Model and Parallel Cross-Gate Convolutional Neural Network
by Changfeng Hao, Min Ye, Boyan Li and Jiale Zhang
Appl. Sci. 2025, 15(16), 9125; https://doi.org/10.3390/app15169125 - 19 Aug 2025
Viewed by 138
Abstract
Semi-rigid base asphalt pavements, a common highway structure in China, often suffer from debonding defects which reduce road stability and shorten service life. In this study, a new method of road debonding detection based on the acoustic vibration method is proposed to address [...] Read more.
Semi-rigid base asphalt pavements, a common highway structure in China, often suffer from debonding defects which reduce road stability and shorten service life. In this study, a new method of road debonding detection based on the acoustic vibration method is proposed to address the needs of hidden debonding defects which are difficult to detect. The approach combines the Transformer model and the Transformer-based Parallel Cross-Gated Convolutional Neural Network (T-PCG-CNN) to classify and recognize semi-rigid base asphalt pavement acoustic data. Firstly, over a span of several years, an excitation device was designed and employed to collect acoustic data from different road types, creating a dedicated multi-sample dataset specifically for semi-rigid base asphalt pavements. Secondly, the improved Mel frequency cepstral coefficient (MFCC) feature and its first-order differential features (ΔMFCC) and second-order differential features (Δ2MFCC) are adopted as the input data of the network for different sample acoustic signal characteristics. Then, the proposed T-PCG-CNN model fuses the multi-frequency feature extraction advantage of a parallel cross-gate convolutional network and the long-time dependency capture ability of the Transformer model to improve the classification performance of different road acoustic features. Comprehensive experiments were conducted to analyze parameter sensitivity, feature combination strategies, and comparisons with existing classification algorithms. The results demonstrate that the proposed model achieves high accuracy and weighted F1 score. The confusion matrix indicates high per-class recall (including debonding), and the one-vs-rest ROC curves (AUC ≥ 0.95 for all classes) confirm strong class separability with low false-alarm trade-offs across operating thresholds. Moreover, the use of blockwise self-attention with global tokens and shared weight matrices significantly reduces model complexity and size. In the multi-type road data classification test, the classification accuracy reaches 0.9208 and the weighted F1 value reaches 0.9315, which is significantly better than the existing methods, demonstrating its generalizability in the identification of multiple road defect types. Full article
(This article belongs to the Section Civil Engineering)
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18 pages, 1062 KB  
Review
The Use of PEEK Barriers in Bone Regeneration Procedures: A Scoping Review
by Leonardo Díaz, Xavier Uriarte, Andrés Landázuri, Heloisa Fonseca Marāo, Pablo Urrutia, Alfredo Torres and Shengchi Fan
Prosthesis 2025, 7(4), 101; https://doi.org/10.3390/prosthesis7040101 - 19 Aug 2025
Viewed by 216
Abstract
Introduction: Guided bone regeneration (GBR) is a key approach for managing alveolar ridge defects. Although titanium meshes are widely used for non-resorbable space maintenance, their limitations have prompted interest in alternative materials. Polyetheretherketone (PEEK), a high-performance thermoplastic, has emerged as a potential barrier [...] Read more.
Introduction: Guided bone regeneration (GBR) is a key approach for managing alveolar ridge defects. Although titanium meshes are widely used for non-resorbable space maintenance, their limitations have prompted interest in alternative materials. Polyetheretherketone (PEEK), a high-performance thermoplastic, has emerged as a potential barrier due to its mechanical strength, radiolucency, and compatibility with digital workflows. Objective: To map the current evidence on the use of PEEK barriers in GBR, focusing on biological performance, mechanical properties, and clinical outcomes in animal and human studies. Methods: A scoping review was conducted following PRISMA-ScR guidelines. Eligible studies included in vivo animal models or clinical trials involving PEEK barriers for alveolar bone regeneration. Data on study design, defect type, barrier characteristics, surgical protocol, outcomes, and complications were extracted. Results: Five studies met the inclusion criteria: two animal models and three clinical trials. All reported successful space maintenance and bone gain with PEEK barriers, with outcomes comparable to titanium meshes. Customization through CAD/CAM or 3D printing was common. Complications such as soft tissue dehiscence and exposure occurred but generally did not affect regeneration. Evidence was limited by small sample sizes, short follow-up, and single-center designs. Conclusions: PEEK barriers show promise as customizable alternatives to traditional GBR membranes. However, current evidence is limited and geographically concentrated. Future multicenter studies with long-term follow-up and standardized outcome measures are needed to validate the clinical potential of PEEK in bone regeneration. Full article
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36 pages, 6171 KB  
Review
Atomistic Modeling of Microstructural Defect Evolution in Alloys Under Irradiation: A Comprehensive Review
by Yue Fan
Appl. Sci. 2025, 15(16), 9110; https://doi.org/10.3390/app15169110 - 19 Aug 2025
Viewed by 226
Abstract
Developing structural materials capable of maintaining integrity under extreme irradiation conditions is a cornerstone challenge for advancing sustainable nuclear energy technologies. The complexity and severity of radiation-induced microstructural changes—spanning multiple length and timescales—pose significant hurdles for purely experimental approaches. This review critically evaluates [...] Read more.
Developing structural materials capable of maintaining integrity under extreme irradiation conditions is a cornerstone challenge for advancing sustainable nuclear energy technologies. The complexity and severity of radiation-induced microstructural changes—spanning multiple length and timescales—pose significant hurdles for purely experimental approaches. This review critically evaluates recent advancements in atomistic modeling, emphasizing its transformative potential to decipher fundamental mechanisms driving microstructural evolution in irradiated alloys. Atomistic simulations, such as molecular dynamics (MD), have successfully unveiled initial defect formation processes at picosecond scales. However, the inherent temporal limitations of conventional MD necessitate advanced methodologies capable of exploring slower, thermally activated defect kinetics. We specifically traced the development of powerful potential energy landscape (PEL) exploration algorithms, which enable the simulation of high-barrier, rare events of defect evolution processes that govern long-term material degradation. The review systematically examines point defect behaviors in various crystal structures—BCC, FCC, and HCP metals—and elucidates their characteristic defect dynamics, respectively. Additionally, it highlights the pronounced effects of chemical complexity in concentrated solid-solution alloys and high-entropy alloys, notably their sluggish diffusion and enhanced defect recombination, underpinning their superior radiation tolerance. Further, the interaction of extended defects with mechanical stresses and their mechanistic implications for material properties are discussed, highlighting the critical interplay between thermal activation and strain rate in defect evolution. Special attention is dedicated to the diverse mechanisms of dislocation–obstacle interactions, as well as the behaviors of metastable grain boundaries under far-from-equilibrium environments. The integration of data-driven methods and machine learning with atomistic modeling is also explored, showcasing their roles in developing quantum-accurate potentials, automating defect analysis, and enabling efficient surrogate models for predictive design. This comprehensive review also outlines future research directions and fundamental questions, paving the way toward autonomous materials’ discovery in extreme environments. Full article
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13 pages, 1358 KB  
Article
A New Method for the Digital Assessment of the Relative Density of Bone Tissue in Dentistry Using the ImageJ Software Package
by Mariya Ebrakhim, Denis Moiseev, Valery Strelnikov, Alaa Salloum, Ekaterina Faustova, Aleksandr Ermolaev, Yulianna Enina, Ellina Velichko and Yuriy Vasil’ev
Dent. J. 2025, 13(8), 375; https://doi.org/10.3390/dj13080375 - 19 Aug 2025
Viewed by 154
Abstract
Backgroud: The aim of this study was to create an accessible, simple and reliable method for assessing the relative density of bone tissue in dentistry based on the analysis of digital panoramic radiographs. Methods: Measurement of average gray values on orthopantomograms [...] Read more.
Backgroud: The aim of this study was to create an accessible, simple and reliable method for assessing the relative density of bone tissue in dentistry based on the analysis of digital panoramic radiographs. Methods: Measurement of average gray values on orthopantomograms was carried out using ImageJ Version 1.54i software. To estimate the relative bone density, functions for selecting regions of interest (ROI), calculating the area of selection, and statistics of the selected area were used. Statistical characteristics of samples and testing of hypotheses using statistical criteria were performed using Microsoft Excel. Results: we found that when manually selecting the reference and comparison areas for areas without signs of pathological changes in bone tissue, the average standard deviation was 0.058, and the coefficient of variation was 0.055 ± 0.011%, which makes the choice of the jaw angle as a reference more preferable. The average relative bone density of the assessed defective areas to the jaw angle was 0.64 ± 0.11, and the average relative bone density of the areas without pathology to the jaw angle was 1.052 ± 0.058. Conclusions: a research protocol was developed and justified using the ImageJ software package, which establishes a strict procedure for quantitative assessment of relative bone density based on the results of digital panoramic radiography. The proposed protocol can be used to monitor the condition of bone tissue after all types of dental treatment over time. Full article
(This article belongs to the Special Issue Digital Implantology in Dentistry)
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27 pages, 6670 KB  
Article
One-Pot Synthesis of the MoVOx Mixed Oxide Nanobelts and Its Photoelectric Properties in the Broadband Light Spectrum Range Exhibiting Self-Powered Characteristics
by Xingfa Ma, Xintao Zhang, Mingjun Gao, Ruifen Hu, You Wang and Guang Li
Inorganics 2025, 13(8), 273; https://doi.org/10.3390/inorganics13080273 - 18 Aug 2025
Viewed by 303
Abstract
To exploit the near-infrared (NIR) light of MoO3, the MoVOx mixed oxide was synthesized using a one-pot approach. The effects of different electrodes, V doping, and bias on the optoelectronic properties were investigated. The photoelectric responses to light sources with [...] Read more.
To exploit the near-infrared (NIR) light of MoO3, the MoVOx mixed oxide was synthesized using a one-pot approach. The effects of different electrodes, V doping, and bias on the optoelectronic properties were investigated. The photoelectric responses to light sources with wavelengths of 405, 532, 650, 780, 808, 980, and 1064 nm were studied using both Au and carbon electrodes with 6B pencil drawings. The results demonstrate that the MoVOx nanoblets exhibit photocurrent switching characteristics across the broadband region of the light spectrum. Even when zero bias was applied and the mixed oxide sample was stored at room temperature for over two years, a good photoelectric signal was still observed. This demonstrates that the MoVOx nanoblets present an interface where interfacial charge transfer forms a strong built-in electric field, promoting photogenerated charge separation and transfer while suppressing photogenerated carrier recombination, and exhibiting self-powered characteristics. Interestingly, reducing the power of the typical excitation light sources resulted in a transition from positive to negative photocurrent features. This reflects the result of an imbalance between the concentration of material defects and the concentration of photogenerated electrons. The MoVOx nanoblets not only enhance charge transport performance, but also significantly improve the exploitation of near-infrared light. Doping with V significantly improves the nanocomposites’ near-infrared (NIR) photoelectric sensitivity. This study demonstrates that heavily doping aliovalent ions during the in situ preparation of nanocomposites effectively enhances their photophysical properties. It provides a straightforward approach to narrowing the band gap of wide-bandgap oxides and effectively avoiding the recombination of photogenerated carriers. Full article
(This article belongs to the Special Issue Advanced Inorganic Semiconductor Materials, 3rd Edition)
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