Sign in to use this feature.

Years

Between: -

Subjects

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Journals

Article Types

Countries / Regions

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Search Results (361)

Search Parameters:
Keywords = interfacial defect

Order results
Result details
Results per page
Select all
Export citation of selected articles as:
32 pages, 2261 KiB  
Article
Influence of Superplasticizers on the Diffusion-Controlled Synthesis of Gypsum Crystals
by F. Kakar, C. Pritzel, T. Kowald and M. S. Killian
Crystals 2025, 15(8), 709; https://doi.org/10.3390/cryst15080709 (registering DOI) - 31 Jul 2025
Abstract
Gypsum (CaSO4·2H2O) crystallization underpins numerous industrial processes, yet its response to chemical admixtures remains incompletely understood. This study investigates diffusion-controlled crystal growth in a coaxial test tube system to evaluate how three Sika® ViscoCrete® superplasticizers—430P, 111P, and [...] Read more.
Gypsum (CaSO4·2H2O) crystallization underpins numerous industrial processes, yet its response to chemical admixtures remains incompletely understood. This study investigates diffusion-controlled crystal growth in a coaxial test tube system to evaluate how three Sika® ViscoCrete® superplasticizers—430P, 111P, and 120P—affect nucleation, growth kinetics, morphology, and thermal behavior. The superplasticizers, selected for their surface-active properties, were hypothesized to influence crystallization via interfacial interactions. Ion diffusion was maintained quasi-steadily for 12 weeks, with crystal evolution tracked weekly by macro-photography; scanning electron microscopy and thermogravimetric/differential scanning were performed at the final stage. All admixtures delayed nucleation in a concentration-dependent manner. Lower dosages (0.5–1.0 wt%) yielded platy-to-prismatic morphologies and higher dehydration enthalpies, indicating more ordered lattice formation. In contrast, higher dosages (1.5–2.0 wt%) produced denser, irregular crystals and shifted dehydration to lower temperatures, suggesting structural defects or increased hydration. Among the additives, 120P showed the strongest inhibitory effect, while 111P at 0.5 wt% resulted in the most uniform crystals. These results demonstrate that ViscoCrete® superplasticizers can modulate gypsum crystallization and thermal properties. Full article
(This article belongs to the Section Macromolecular Crystals)
14 pages, 4080 KiB  
Article
High-Compressive-Strength Silicon Carbide Ceramics with Enhanced Mechanical Performance
by Zijun Qian, Kang Li, Yabin Zhou, Hao Xu, Haiyan Qian and Yihua Huang
Materials 2025, 18(15), 3598; https://doi.org/10.3390/ma18153598 (registering DOI) - 31 Jul 2025
Viewed by 84
Abstract
This study demonstrates the successful fabrication of high-performance reaction-bonded silicon carbide (RBSC) ceramics through an optimized liquid silicon infiltration (LSI) process employing multi-modal SiC particle gradation and nano-carbon black (0.6 µm) additives. By engineering porous preforms with hierarchical SiC distributions and tailored carbon [...] Read more.
This study demonstrates the successful fabrication of high-performance reaction-bonded silicon carbide (RBSC) ceramics through an optimized liquid silicon infiltration (LSI) process employing multi-modal SiC particle gradation and nano-carbon black (0.6 µm) additives. By engineering porous preforms with hierarchical SiC distributions and tailored carbon sources, the resulting ceramics achieved a compressive strength of 2393 MPa and a flexural strength of 380 MPa, surpassing conventional RBSC systems. Microstructural analyses revealed homogeneous β-SiC formation and crack deflection mechanisms as key contributors to mechanical enhancement. Ultrafine SiC particles (0.5–2 µm) refined pore architectures and mediated capillary dynamics during infiltration, enabling nanoscale dispersion of residual silicon phases and minimizing interfacial defects. Compared to coarse-grained counterparts, the ultrafine SiC system exhibited a 23% increase in compressive strength, attributed to reduced sintering defects and enhanced load transfer efficiency. This work establishes a scalable strategy for designing RBSC ceramics for extreme mechanical environments, bridging material innovation with applications in high-stress structural components. Full article
(This article belongs to the Section Advanced and Functional Ceramics and Glasses)
Show Figures

Figure 1

33 pages, 11892 KiB  
Article
Experimental Study on Mechanical Properties of Waste Steel Fiber Polypropylene (EPP) Concrete
by Yanyan Zhao, Xiaopeng Ren, Yongtao Gao, Youzhi Li and Mingshuai Li
Buildings 2025, 15(15), 2680; https://doi.org/10.3390/buildings15152680 - 29 Jul 2025
Viewed by 127
Abstract
Polypropylene (EPP) concrete offers advantages such as low density and good thermal insulation properties, but its relatively low strength limits its engineering applications. Waste steel fibers (WSFs) obtained during the sorting and processing of machining residues can be incorporated into EPP concrete (EC) [...] Read more.
Polypropylene (EPP) concrete offers advantages such as low density and good thermal insulation properties, but its relatively low strength limits its engineering applications. Waste steel fibers (WSFs) obtained during the sorting and processing of machining residues can be incorporated into EPP concrete (EC) to enhance its strength and toughness. Using the volume fractions of EPP and WSF as variables, specimens of EPP concrete (EC) and waste steel fiber-reinforced EPP concrete (WSFREC) were prepared and subjected to cube compressive strength tests, splitting tensile strength tests, and four-point flexural strength tests. The results indicate that EPP particles significantly improve the toughness of concrete but inevitably lead to a considerable reduction in strength. The incorporation of WSF substantially enhanced the splitting tensile strength and flexural strength of EC, with increases of at least 37.7% and 34.5%, respectively, while the improvement in cube compressive strength was relatively lower at only 23.6%. Scanning electron microscopy (SEM) observations of the interfacial transition zone (ITZ) and WSF surface morphology in WSFREC revealed that the addition of EPP particles introduces more defects in the concrete matrix. However, the inclusion of WSF promotes the formation of abundant hydration products on the fiber surface, mitigating matrix defects, improving the bond between WSF and the concrete matrix, effectively inhibiting crack propagation, and enhancing both the strength and toughness of the concrete. Full article
Show Figures

Figure 1

18 pages, 6570 KiB  
Article
Deposition Process and Interface Performance of Aluminum–Steel Joints Prepared Using CMT Technology
by Jie Zhang, Hao Du, Xinyue Wang, Yinglong Zhang, Jipeng Zhao, Penglin Zhang, Jiankang Huang and Ding Fan
Metals 2025, 15(8), 844; https://doi.org/10.3390/met15080844 - 29 Jul 2025
Viewed by 208
Abstract
The anode assembly, as a key component in the electrolytic aluminum process, is composed of steel claws and aluminum guide rods. The connection quality between the steel claws and guide rods directly affects the current conduction efficiency, energy consumption, and operational stability of [...] Read more.
The anode assembly, as a key component in the electrolytic aluminum process, is composed of steel claws and aluminum guide rods. The connection quality between the steel claws and guide rods directly affects the current conduction efficiency, energy consumption, and operational stability of equipment. Achieving high-quality joining between the aluminum alloy and steel has become a key process in the preparation of the anode assembly. To join the guide rods and steel claws, this work uses Cold Metal Transfer (CMT) technology to clad aluminum on the steel surface and employs machine vision to detect surface forming defects in the cladding layer. The influence of different currents on the interfacial microstructure and mechanical properties of aluminum alloy cladding on the steel surface was investigated. The results show that increasing the cladding current leads to an increase in the width of the fusion line and grain size and the formation of layered Fe2Al5 intermetallic compounds (IMCs) at the interface. As the current increases from 90 A to 110 A, the thickness of the Al-Fe IMC layer increases from 1.46 μm to 2.06 μm. When the current reaches 110 A, the thickness of the interfacial brittle phase is the largest, at 2 ± 0.5 μm. The interfacial region where aluminum and steel are fused has the highest hardness, and the tensile strength first increases and then decreases with the current. The highest tensile strength is 120.45 MPa at 100 A. All the fracture surfaces exhibit a brittle fracture. Full article
Show Figures

Figure 1

30 pages, 9107 KiB  
Article
Numerical Far-Field Investigation into Guided Waves Interaction at Weak Interfaces in Hybrid Composites
by Saurabh Gupta, Mahmood Haq, Konstantin Cvetkovic and Oleksii Karpenko
J. Compos. Sci. 2025, 9(8), 387; https://doi.org/10.3390/jcs9080387 - 22 Jul 2025
Viewed by 210
Abstract
Modern aerospace engineering places increasing emphasis on materials that combine low weight with high mechanical performance. Fiber metal laminates (FMLs), which merge metal layers with fiber-reinforced composites, meet this demand by delivering improved fatigue resistance, impact tolerance, and environmental durability, often surpassing the [...] Read more.
Modern aerospace engineering places increasing emphasis on materials that combine low weight with high mechanical performance. Fiber metal laminates (FMLs), which merge metal layers with fiber-reinforced composites, meet this demand by delivering improved fatigue resistance, impact tolerance, and environmental durability, often surpassing the performance of their constituents in demanding applications. Despite these advantages, inspecting such thin, layered structures remains a significant challenge, particularly when they are difficult or impossible to access. As with any new invention, they always come with challenges. This study examines the effectiveness of the fundamental anti-symmetric Lamb wave mode (A0) in detecting weak interfacial defects within Carall laminates, a type of hybrid fiber metal laminate (FML). Delamination detectability is analyzed in terms of strong wave dispersion observed downstream of the delaminated sublayer, within a region characterized by acoustic distortion. A three-dimensional finite element (FE) model is developed to simulate mode trapping and full-wavefield local displacement. The approach is validated by reproducing experimental results reported in prior studies, including the author’s own work. Results demonstrate that the A0 mode is sensitive to delamination; however, its lateral resolution depends on local position, ply orientation, and dispersion characteristics. Accurately resolving the depth and extent of delamination remains challenging due to the redistribution of peak amplitude in the frequency domain, likely caused by interference effects in the acoustically sensitive delaminated zone. Additionally, angular scattering analysis reveals a complex wave behavior, with most of the energy concentrated along the centerline, despite transmission losses at the metal-composite interfaces in the Carall laminate. The wave interaction with the leading and trailing edges of the delaminations is strongly influenced by the complex wave interference phenomenon and acoustic mismatched regions, leading to an increase in dispersion at the sublayers. Analytical dispersion calculations clarify how wave behavior influences the detectability and resolution of delaminations, though this resolution is constrained, being most effective for weak interfaces located closer to the surface. This study offers critical insights into how the fundamental anti-symmetric Lamb wave mode (A0) interacts with delaminations in highly attenuative, multilayered environments. It also highlights the challenges in resolving the spatial extent of damage in the long-wavelength limit. The findings support the practical application of A0 Lamb waves for structural health assessment of hybrid composites, enabling defect detection at inaccessible depths. Full article
(This article belongs to the Special Issue Metal Composites, Volume II)
Show Figures

Figure 1

10 pages, 2398 KiB  
Article
APTES-Modified Interface Optimization in PbS Quantum Dot SWIR Photodetectors and Its Influence on Optoelectronic Properties
by Qian Lei, Lei Rao, Wencan Deng, Xiuqin Ao, Fan Fang, Wei Chen, Jiaji Cheng, Haodong Tang and Junjie Hao
Colloids Interfaces 2025, 9(4), 49; https://doi.org/10.3390/colloids9040049 - 22 Jul 2025
Viewed by 247
Abstract
Lead sulfide colloidal quantum dots (PbS QDs) have demonstrated great potential in short-wave infrared (SWIR) photodetectors due to their tunable bandgap, low cost, and broad spectral response. While significant progress has been made in surface ligand modification and defect state passivation, studies focusing [...] Read more.
Lead sulfide colloidal quantum dots (PbS QDs) have demonstrated great potential in short-wave infrared (SWIR) photodetectors due to their tunable bandgap, low cost, and broad spectral response. While significant progress has been made in surface ligand modification and defect state passivation, studies focusing on the interface between QDs and electrodes remain limited, which hinders further improvement in device performance. In this work, we propose an interface engineering strategy based on 3-aminopropyltriethoxysilane (APTES) to enhance the interfacial contact between PbS QD films and ITO interdigitated electrodes, thereby significantly boosting the overall performance of SWIR photodetectors. Experimental results demonstrate that the optimal 0.5 h APTES treatment duration significantly enhances responsivity by achieving balanced interface passivation and charge carrier transport. Moreover, The APTES-modified device exhibits a controllable dark current and faster photo-response under 1310 nm illumination. This interface engineering approach provides an effective pathway for the development of high-performance PbS QD-based SWIR photodetectors, with promising applications in infrared imaging, spectroscopy, and optical communication. Full article
(This article belongs to the Special Issue State of the Art of Colloid and Interface Science in Asia)
Show Figures

Figure 1

21 pages, 18567 KiB  
Article
Mitigation of Black Streak Defects in AISI 304 Stainless Steel via Numerical Simulation and Reverse Optimization Algorithm
by Xuexia Song, Xiaocan Zhong, Wanlin Wang and Kun Dou
Materials 2025, 18(14), 3414; https://doi.org/10.3390/ma18143414 - 21 Jul 2025
Viewed by 291
Abstract
The formation mechanism of black streak defects in hot-rolled steel sheets was investigated to address the influence of the process parameters on the surface quality during the production of 304 stainless steels. Macro-/microstructural characterization revealed that the defect regions contained necessary mold slag [...] Read more.
The formation mechanism of black streak defects in hot-rolled steel sheets was investigated to address the influence of the process parameters on the surface quality during the production of 304 stainless steels. Macro-/microstructural characterization revealed that the defect regions contained necessary mold slag components (Ca, Si, Al, Mg, Na, K) which originated from the initial stage of solidification in the mold region of the continuous casting process, indicating obvious slag entrapment during continuous casting. On this basis, a three-dimensional coupled finite-element model for the molten steel flow–thermal characteristics was established to evaluate the effects of typical casting parameters using the determination of the critical slag entrapment velocity as the criterion. Numerical simulations demonstrated that the maximum surface velocity improved from 0.29 m/s to 0.37 m/s with a casting speed increasing from 1.0 m/min to 1.2 m/min, which intensified the meniscus turbulence. However, the increase in the port angle and the depth of the submerged entry nozzle (SEN) effectively reduced the maximum surface velocity to 0.238 m/s and 0.243 m/s, respectively, with a simultaneous improvement in the slag–steel interface temperature. Through MATLAB (version 2023b)-based reverse optimization combined with critical velocity analysis, the optimal mold slag properties were determined to be 2800 kg/m3 for the density, 4.756 × 10−6 m2/s for the kinematic viscosity, and 0.01 N/m for the interfacial tension. This systematic approach provides theoretical guidance for process optimization and slag design enhancement in industrial production. Full article
Show Figures

Figure 1

27 pages, 15704 KiB  
Article
Study on Mechanical Properties of Composite Basalt Fiber 3D-Printed Concrete Based on 3D Meso-Structure
by Shengxuan Ding, Jiren Li and Mingqiang Wang
Materials 2025, 18(14), 3379; https://doi.org/10.3390/ma18143379 - 18 Jul 2025
Viewed by 390
Abstract
As 3D concrete printing emerges as a transformative construction method, its structural safety remains hindered by unresolved issues of mechanical anisotropy and interlayer defects. To address this, we systematically investigate the failure mechanisms and mechanical performance of basalt fiber-reinforced 3D-printed magnesite concrete. A [...] Read more.
As 3D concrete printing emerges as a transformative construction method, its structural safety remains hindered by unresolved issues of mechanical anisotropy and interlayer defects. To address this, we systematically investigate the failure mechanisms and mechanical performance of basalt fiber-reinforced 3D-printed magnesite concrete. A total of 30 cube specimens (50 mm × 50 mm × 50 mm)—comprising three types (Corner, Stripe, and R-a-p)—were fabricated and tested under compressive and splitting tensile loading along three orthogonal directions using a 2000 kN electro-hydraulic testing machine. The results indicate that 3D-printed concrete exhibits significantly lower strength than cast-in-place concrete, which is attributed to weak interfacial bonds and interlayer pores. Notably, the R-a-p specimen’s Z-direction compressive strength is 38.7% lower than its Y-direction counterpart. To complement the mechanical tests, DIC, CT scanning, and SEM analyses were conducted to explore crack development, internal defect morphology, and microstructure. A finite element model based on the experimental data successfully reproduced the observed failure processes. This study not only enhances our understanding of anisotropic behavior in 3D-printed concrete but also offers practical insights for print-path optimization and sustainable structural design. Full article
(This article belongs to the Special Issue 3D Printing Materials in Civil Engineering)
Show Figures

Figure 1

15 pages, 2521 KiB  
Article
Interface-Driven Electrothermal Degradation in GaN-on-Diamond High Electron Mobility Transistors
by Huanran Wang, Yifan Liu, Xiangming Dong, Abid Ullah, Jisheng Sun, Chuang Zhang, Yucheng Xiong, Peng Gu, Ge Chen and Xiangjun Liu
Nanomaterials 2025, 15(14), 1114; https://doi.org/10.3390/nano15141114 - 18 Jul 2025
Viewed by 281
Abstract
Diamond is an attractive substrate candidate for GaN high-electron-mobility transistors (HEMT) to enhance heat dissipation due to its exceptional thermal conductivity. However, the thermal boundary resistance (TBR) at the GaN–diamond interface poses a significant bottleneck to heat transport, exacerbating self-heating and limiting device [...] Read more.
Diamond is an attractive substrate candidate for GaN high-electron-mobility transistors (HEMT) to enhance heat dissipation due to its exceptional thermal conductivity. However, the thermal boundary resistance (TBR) at the GaN–diamond interface poses a significant bottleneck to heat transport, exacerbating self-heating and limiting device performance. In this work, TCAD simulations were employed to systematically investigate the effects of thermal boundary layer (TBL) thickness (dTBL) and thermal conductivity (κTBL) on the electrothermal behavior of GaN-on-diamond HEMTs. Results show that increasing the TBL thickness (5–20 nm) or decreasing its thermal conductivity (0.1–1.0 W/(m·K)) leads to elevated hotspot temperatures and degraded electron mobility, resulting in a notable deterioration of IV characteristics. The nonlinear dependence of device performance on κTBL is attributed to Fourier’s law, where heat flux is inversely proportional to thermal resistance. Furthermore, the co-analysis of substrate thermal conductivity and interfacial quality reveals that interface TBR has a more dominant impact on device behavior than substrate conductivity. Remarkably, devices with low thermal conductivity substrates and optimized interfaces can outperform those with high-conductivity substrates but poor interfacial conditions. These findings underscore the critical importance of interface engineering in thermal management of GaN–diamond HEMTs and provide a theoretical foundation for future work on phonon transport and defect-controlled thermal interfaces. Full article
Show Figures

Graphical abstract

33 pages, 4942 KiB  
Review
A Review of Crack Sealing Technologies for Asphalt Pavement: Materials, Failure Mechanisms, and Detection Methods
by Weihao Min, Peng Lu, Song Liu and Hongchang Wang
Coatings 2025, 15(7), 836; https://doi.org/10.3390/coatings15070836 - 17 Jul 2025
Viewed by 424
Abstract
Asphalt pavement cracking represents a prevalent form of deterioration that significantly compromises road performance and safety under the combined effects of environmental factors and traffic loading. Crack sealing has emerged as a widely adopted and cost-effective preventive maintenance strategy that restores the pavement’s [...] Read more.
Asphalt pavement cracking represents a prevalent form of deterioration that significantly compromises road performance and safety under the combined effects of environmental factors and traffic loading. Crack sealing has emerged as a widely adopted and cost-effective preventive maintenance strategy that restores the pavement’s structural integrity and extends service life. This paper presents a systematic review of the development of crack sealing technology, conducts a comparative analysis of conventional sealing materials (including emulsified asphalt, hot-applied asphalt, polymer-modified asphalt, and rubber-modified asphalt), and examines the existing performance evaluation methodologies. Critical failure mechanisms are thoroughly investigated, including interfacial bond failure resulting from construction defects, material aging and degradation, hydrodynamic scouring effects, and thermal cycling impacts. Additionally, this review examines advanced sensing methodologies for detecting premature sealant failure, encompassing both non-destructive testing techniques and active sensing technologies utilizing intelligent crack sealing materials with embedded monitoring capabilities. Based on current research gaps, this paper identifies future research directions to guide the development of intelligent and sustainable asphalt pavement crack repair technologies. The proposed research framework provides valuable insights for researchers and practitioners seeking to improve the long-term effectiveness of pavement maintenance strategies. Full article
Show Figures

Figure 1

20 pages, 2267 KiB  
Review
Multiscale Simulation of Nanowear-Resistant Coatings
by Xiaoming Liu, Kun Gao, Peng Chen, Lijun Yin and Jing Yang
Materials 2025, 18(14), 3334; https://doi.org/10.3390/ma18143334 - 16 Jul 2025
Viewed by 387
Abstract
Nanowear-resistant coatings are critical for extending the service life of mechanical components, yet their performance optimization remains challenging due to the complex interplay between atomic-scale defects and macroscopic wear behavior. While experimental characterization struggles to resolve transient interfacial phenomena, multiscale simulations, integrating ab [...] Read more.
Nanowear-resistant coatings are critical for extending the service life of mechanical components, yet their performance optimization remains challenging due to the complex interplay between atomic-scale defects and macroscopic wear behavior. While experimental characterization struggles to resolve transient interfacial phenomena, multiscale simulations, integrating ab initio calculations, molecular dynamics, and continuum mechanics, have emerged as a powerful tool to decode structure–property relationships. This review systematically compares mainstream computational methods and analyzes their coupling strategies. Through case studies on metal alloy nanocoatings, we demonstrate how machine learning-accelerated simulations enable the targeted design of layered architectures with 30% improved wear resistance. Finally, we propose a protocol combining high-throughput simulation and topology optimization to guide future coating development. Full article
(This article belongs to the Section Thin Films and Interfaces)
Show Figures

Figure 1

17 pages, 14423 KiB  
Article
The Influence of the Dispersion and Covalent Functionalization of CNTs on Electrical Conduction Under an Electric Field in LDPE/CNT Composites
by Xiaoli Wu, Ting Yin, Yi Yang, Wenyan Liu, Danping Wang, Libo Wan and Yijun Liao
Polymers 2025, 17(14), 1940; https://doi.org/10.3390/polym17141940 - 15 Jul 2025
Viewed by 325
Abstract
In this study, we comprehensively compare electrical conduction behavior under an applied electric field and electrical conductivity variation with temperature in low-density polyethylene (LDPE)/CNT composites with different dispersions and covalent functionalizations. Composites with different dispersions were prepared using solution and melt mixing processes. [...] Read more.
In this study, we comprehensively compare electrical conduction behavior under an applied electric field and electrical conductivity variation with temperature in low-density polyethylene (LDPE)/CNT composites with different dispersions and covalent functionalizations. Composites with different dispersions were prepared using solution and melt mixing processes. The solution-mixed composites exhibited better dispersion and higher electrical conductivity compared to the melt-mixed composites. At a high critical content (beyond the percolation threshold), the current–voltage (I–V) curve of the solution-mixed composites exhibited linear conduction behavior due to the formation of a continuous conductive network. In contrast, the melt-mixed composites exhibited nonlinear conduction behavior, with the conductive mechanism attributed to the field emission effect caused by poor interfacial contact between the CNTs. Additionally, LDPE/CNT-carboxyl (LDPE/CNT-COOH) and LDPE/CNT-hydroxy (LDPE/CNT-OH) composites demonstrated better dispersion but displayed lower electrical conductivity and similar nonlinear conduction behavior when compared to unmodified ones. This is attributed to the surface defects caused by the modification process, which lead to an increased energy barrier and a decreased transition frequency in the field emission effect. Furthermore, the temperature-dependent electrical conductivity results indicate that the variation trend in current with temperature differed among LDPE/CNT composites with different dispersions and covalent functionalizations. These differences were mainly influenced by the gap width between CNTs (mainly affected by dispersion and aspect ratio of CNTs), as well as the electrical conductivity of CNTs (mainly influenced by surface modification and intrinsic electrical conductivity of CNTs). Full article
(This article belongs to the Special Issue Application and Characterization of Polymer Composites)
Show Figures

Graphical abstract

14 pages, 3047 KiB  
Article
Investigation on the Underlying Mechanisms of the Mechanical and Electrical Enhancement of Nano-SiO2-Doped Epoxy Resins: A Molecular Simulation Study
by Kunqi Cui, Yang Wang, Wenchao Yan, Teng Cao, Yan Du, Kai Wu and Li Guo
Molecules 2025, 30(14), 2960; https://doi.org/10.3390/molecules30142960 - 14 Jul 2025
Viewed by 236
Abstract
As a key insulating material in power equipment, epoxy resins (EP) are often limited in practical applications due to space charge accumulation and mechanical degradation. This study systematically investigates the effects of SiO2 nanoparticle doping on the electrical and mechanical properties of [...] Read more.
As a key insulating material in power equipment, epoxy resins (EP) are often limited in practical applications due to space charge accumulation and mechanical degradation. This study systematically investigates the effects of SiO2 nanoparticle doping on the electrical and mechanical properties of SiO2/EP composites through molecular dynamics simulations and first-principles calculations. The results demonstrate that SiO2 doping enhances the mechanical properties of EP, with notable improvements in Young’s modulus, bulk modulus, and shear modulus, while maintaining excellent thermal stability across different temperatures. Further investigations reveal that SiO2 doping effectively modulates the interfacial charge behavior between EP and metals (Cu/Fe) by introducing shallow defect states and reconstructing interfacial dipoles. Density of states analysis indicates the formation of localized defect states at the interface in doped systems, which dominate the defect-assisted hopping mechanism for charge transport and suppress space charge accumulation. Potential distribution calculations show that doping reduces the average potential of EP (1 eV for Cu layer and 1.09 eV for Fe layer) while simultaneously influencing the potential distribution near the polymer–metal interface, thereby optimizing the interfacial charge injection barrier. Specifically, the hole barrier at the maximum valence band (VBM) after doping significantly increased, rising from the initial values of 0.448 eV (Cu interface) and 0.349 eV (Fe interface) to 104.02% and 209.46%, respectively. These findings provide a theoretical foundation for designing high-performance epoxy-based composites with both enhanced mechanical properties and controllable interfacial charge behavior. Full article
Show Figures

Figure 1

15 pages, 2499 KiB  
Article
Constructing Sulfur Vacancy-Rich NiCo2S4@MoS2 Core@shell Heterostructure via Interface Engineering for Enhanced HER Electrocatalysis
by Ziteng Song, Yuan Liu, Peng Yin, Jie Dai, Yingying Xu, Rongming Wang and Sibin Duan
Nanomaterials 2025, 15(14), 1061; https://doi.org/10.3390/nano15141061 - 9 Jul 2025
Viewed by 333
Abstract
The rational design of heterointerfaces with optimized charge dynamics and defect engineering remains pivotal for developing advanced non-noble metal-based electrocatalysts for water splitting. A comparative study of NiCo2S4–MoS2 heterostructures was conducted to elucidate the impact of interfacial architecture [...] Read more.
The rational design of heterointerfaces with optimized charge dynamics and defect engineering remains pivotal for developing advanced non-noble metal-based electrocatalysts for water splitting. A comparative study of NiCo2S4–MoS2 heterostructures was conducted to elucidate the impact of interfacial architecture and defect engineering on hydrogen evolution reaction (HER) performance. A core@shell NiCo2S4@MoS2 heterostructure was synthesized via a facile hydrothermal growth method, inducing lattice distortion and strong interfacial coupling, while supported NiCo2S4/MoS2 heterostructures were prepared by ultrasonic-assisted deposition. A detailed structural and spectroscopic characterization and theoretical calculation demonstrated that the core@shell configuration promotes charge redistribution across the NiCo2S4–MoS2 interface and generates abundant sulfur vacancies, thereby increasing the density of electroactive sites. Electrochemical measurements reveal that NiCo2S4@MoS2 markedly outperforms the supported heterostructure, single-component NiCo2S4, and MoS2 when serving as the HER catalyst in acid solution. These findings establish a dual-optimization strategy—combining interfacial design with vacancy modulation—that provides a generalizable paradigm for the deliberate design of high-efficiency non-noble metal-based electrocatalysts for water splitting reactions. Full article
(This article belongs to the Special Issue Nanostructured Materials for Electrocatalysis)
Show Figures

Figure 1

13 pages, 3705 KiB  
Article
Molecular Simulations of Interface-Driven Crosslinked Network Formation and Mechanical Response in Composite Propellants
by Chen Ling, Xinke Zhang, Xin Li, Guozhu Mou, Xiang Guo, Bing Yuan and Kai Yang
Polymers 2025, 17(13), 1863; https://doi.org/10.3390/polym17131863 - 3 Jul 2025
Viewed by 422
Abstract
Composite solid propellants, which serve as the core energetic materials in aerospace and military propulsion systems, necessitate tailored enhancement of their mechanical properties to ensure operational safety and stability. A critical challenge involves elucidating the interfacial interactions among the multiple propellant components (≥6 [...] Read more.
Composite solid propellants, which serve as the core energetic materials in aerospace and military propulsion systems, necessitate tailored enhancement of their mechanical properties to ensure operational safety and stability. A critical challenge involves elucidating the interfacial interactions among the multiple propellant components (≥6 components, including the polymer binder HTPB, curing agent IPDI, oxidizer particles AP/Al, bonding agents MAPO/T313, plasticizer DOS, etc.) and their influence on crosslinked network formation. In this study, we propose an integrated computational framework that combines coarse-grained simulations with reactive force fields to investigate these complex interactions at the molecular level. Our approach successfully elucidates the two-step reaction mechanism propagating along the AP interface in multicomponent propellants, comprising interfacial self-polymerization of bonding agents followed by the participation of curing agents in crosslinked network formation. Furthermore, we assess the mechanical performance through tensile simulations, systematically investigating both defect formation near the interface and the influence of key parameters, including the self-polymerization time, HTPB chain length, and IPDI content. Our results indicate that the rational selection of parameters enables the optimization of mechanical properties (e.g., ~20% synchronous improvement in tensile modulus and strength, achieved by selecting a side-chain ratio of 20%, a DOS molar ratio of 2.5%, a MAPO:T313 ratio of 1:2, a self-polymerization MAPO time of 260 ns, etc.). Overall, this study provides molecular-level insights into the structure–property relationships of composite propellants and offers a valuable computational framework for guided formulation optimization in propellant manufacturing. Full article
(This article belongs to the Collection Polymerization and Kinetic Studies)
Show Figures

Figure 1

Back to TopTop