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Stress-Doped Interface Synergy: Unraveling the Atomic-Scale Corrosion Initiation of Al/Al2Cu Interfaces with Fe-Si Additions in Chloride Environments. 应力掺杂界面协同作用:揭示在氯化物环境中加入Fe-Si的Al/Al2Cu界面的原子尺度腐蚀起始。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-06 DOI: 10.3390/ma19051026
Shuang Li, Wenyan Wang, Jingpei Xie, Aiqin Wang, Zhiping Mao, Wendong Qin, Qingyuan Guo

In this study, first-principles calculations were employed to systematically investigate the adsorption of Cl- on Al2Cu(110) surfaces, clean Al(111)/Al2Cu(110) interfaces, and Fe/Si-doped interfaces, as well as the influence of strain on interfacial electronic structure and corrosion activity. When Cl- is adsorbed on Al sites, the bonding between Cl and Al exhibits strong ionic characteristics with localized charge transfer, while adsorption on Cu sites is characterized by more delocalized, covalent interactions. This competition dictates the site-dependent stability of adsorption. Through geometric-electronic synergy, the interface functions as both a "Cl- enrichment zone" and an "activity source," significantly favoring Cl- adsorption at high-activity anodic sites such as Al-hole and Al-bridge. Conversely, Cu-top sites maintain a high work function and an inert cathodic nature, facilitating the formation of efficient micro-galvanic couples across the interface. Moreover, Fe/Si doping further modulates the interfacial electronic landscape: Si serves as an effective strengthening element due to its low substitution energy and high stability, while Fe primarily forms a solid solution on the Al side, potentially introducing galvanic corrosion risks. Stress analysis indicates that tensile strain systematically enhances surface activity by lowering the work function, while compressive strain non-monotonically influences corrosion through a three-stage mechanism involving the "densification-cracking-plastic relaxation" of the passive film. These findings elucidate the atomistic origins of corrosion initiation at Cu-Al composite interfaces and provide a theoretical foundation for enhancing corrosion resistance through alloy design and strain engineering.

本研究采用第一性原理计算系统研究了Cl-在Al2Cu(110)表面、清洁Al(111)/Al2Cu(110)界面和Fe/ si掺杂界面上的吸附,以及应变对界面电子结构和腐蚀活性的影响。当Cl-吸附在Al位点上时,Cl-与Al之间的键合表现出强烈的离子特征,具有局域电荷转移,而在Cu位点上的吸附则表现出更多的非局域共价相互作用。这种竞争决定了吸附的位置依赖稳定性。通过几何-电子协同作用,界面同时作为“Cl-富集区”和“活性源”,显著有利于Cl-在al孔和al桥等高活性阳极位置的吸附。相反,Cu-top位置保持高功函数和惰性阴极性质,有利于在界面上形成高效的微电偶。此外,Fe/Si掺杂进一步调节了界面电子景观:由于其低取代能和高稳定性,Si作为一种有效的强化元素,而Fe主要在Al侧形成固溶体,潜在地引入了电偶腐蚀风险。应力分析表明,拉伸应变通过降低功函数系统地提高表面活性,而压缩应变通过钝化膜“致密化-开裂-塑性松弛”三阶段机制非单调地影响腐蚀。这些发现阐明了Cu-Al复合材料界面腐蚀起始的原子起源,为通过合金设计和应变工程提高合金的耐蚀性提供了理论基础。
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引用次数: 0
Lensed Chemically Etched Optical Fibers for Free-Space Coupling of Multicore Fibers. 多芯光纤自由空间耦合的透镜化学蚀刻光纤。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-06 DOI: 10.3390/ma19051013
Arkadiusz Woźniak, Mateusz Łakomski, Przemysław Niedzielski

The present study introduces a novel design for lensed, chemically etched optical fibers (LEOFs) designed for efficient coupling with multicore fibers (MCFs). Experimental characterization at a wavelength of 1550 nm yielded an average coupling loss of approximately 0.76 dB under direct physical contact and 0.40 dB when the fiber end was positioned at an optimal working distance. Moreover, it was experimentally demonstrated that LEOFs exhibit high tolerance to longitudinal displacement and minimal wavelength-dependent variation in coupling efficiency. Based on this approach, fiber-in-fiber-out (FIFO) multicore couplers were fabricated using bundles of LEOFs that had been aligned to MCF cores. Bidirectional measurements yielded average insertion losses of 3.23-3.30 dB in TX and 3.20-3.27 dB in RX transmission directions at 1550 nm, with core-resolved losses as low as 1.09 dB for well-aligned channels. The results confirm the viability of LEOF-based multicore free-space coupling, with further improvements expected from enhanced fabrication accuracy.

本研究介绍了一种新型的透镜、化学蚀刻光纤(LEOFs)设计,用于与多芯光纤(mcf)高效耦合。在1550 nm波长下的实验表征,在直接物理接触下的平均耦合损耗约为0.76 dB,当光纤端位于最佳工作距离时的平均耦合损耗约为0.40 dB。此外,实验还证明了LEOFs对纵向位移的容忍度高,耦合效率的波长依赖性最小。基于这种方法,光纤中光纤出(FIFO)多芯耦合器是使用与MCF芯对齐的LEOFs束来制造的。双向测量结果显示,在1550 nm传输方向上,TX的平均插入损耗为3.23-3.30 dB, RX的平均插入损耗为3.20-3.27 dB,在排列良好的通道上,芯分辨损耗低至1.09 dB。结果证实了基于leofs的多核自由空间耦合的可行性,并期望通过提高制造精度进一步改进。
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引用次数: 0
Composite Adsorbent "1-Ethyl-3-methylimidazolium Acetate [EMIM] [Ac] into Mesoporous Silica Gel" for Adsorption Heat Storage. 介孔硅胶中复合吸附剂“1-乙基-3-甲基咪唑醋酸盐[EMIM] [Ac]”的吸附储热。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-06 DOI: 10.3390/ma19051016
Angelo Freni, Elisa Passaglia, Emilia Bramanti, Silvia Pizzanelli, Roberto Spiniello, Francesca Nardelli, Luigi Calabrese, Stefano De Antonellis, Giorgio Tomaino, Alejandro Jose Di Cicco

The aim of this work is to prepare and characterize a composite adsorbent comprising the hydrophilic ionic liquid 1-ethyl-3-methylimidazolium acetate [EMIM-Ac] composite supported on mesoporous silica gel for application in adsorption heat storage systems. Water adsorption/desorption isotherms were measured gravimetrically at T = 40, 50, 70 °C across a relative humidity (RH) range of 0-0.8, demonstrating a high adsorption capacity (up to 0.71 g/g at 50 °C and RH = 0.8, for a 50 wt % [EMIM-Ac] loading). Full process reversibility and negligible ad/desorption hysteresis were also verified. Thermal stability of the prepared silica/[EMIM-Ac] composites was confirmed up to approximately T = 200 °C. Structural stability of samples subjected to repeated ad/desorption aging cycles was verified via FT-IR, High-Resolution Solid-State NMR, and Time-Domain NMR spectroscopy. Finally, the thermodynamic analysis based on adsorption experimental data indicated that the silica/[EMIM-Ac] composite is highly suitable for adsorption heat storage, providing a volumetric density of 600-920 MJ/m3 at regeneration temperatures below 100 °C.

本研究的目的是制备并表征一种由介孔硅胶负载的亲水性离子液体1-乙基-3-甲基咪唑醋酸酯[EMIM-Ac]复合材料组成的用于吸附储热系统的复合吸附剂。在T = 40,50,70°C、相对湿度(RH)为0-0.8的条件下,用重量法测量了水吸附/解吸等温线,结果表明,在50°C和RH = 0.8条件下,对于50 wt % [EMIM-Ac]负载,吸附量高达0.71 g/g。还验证了全过程可逆性和可忽略的吸附/脱附滞后。所制备的二氧化硅/[EMIM-Ac]复合材料在约T = 200℃时的热稳定性得到了证实。通过FT-IR,高分辨率固体核磁共振和时域核磁共振波谱验证了经过重复ad/解吸老化循环的样品的结构稳定性。最后,基于吸附实验数据的热力学分析表明,二氧化硅/[EMIM-Ac]复合材料非常适合用于吸附储热,在低于100℃的再生温度下,其体积密度为600-920 MJ/m3。
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引用次数: 0
Lubrication Challenges in Deep-Sea Gear Trans-Missions: A Review of High-Pressure and Low-Temperature Effects. 深海齿轮传动的润滑挑战:高压和低温效应综述。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-06 DOI: 10.3390/ma19051020
Weiqiang Zou, Xigui Wang, Yongmei Wang, Jiafu Ruan

Deep-sea gear transmission systems encounter critical lubrication challenges arising from the synergistic coupling of extreme hydrostatic pressure and cryogenic temperatures. These environmental stressors induce exponential viscosity escalation in lubricants, precipitating severe fluidity degradation, elevated startup resistance, and lubrication starvation. Concurrently, seawater intrusion triggers lubricant emulsification, additive deactivation, and electrochemical corrosion at meshing interfaces, collectively escalating the risk of catastrophic lubrication failure and compromising long-term operational reliability. This study systematically elucidates the lubrication degradation mechanisms inherent to deep-sea environments and proposes targeted mitigation strategies. Through comprehensive characterization of deep-sea environmental parameters and their impact on lubricant rheological behavior, we critically evaluate the applicability and inherent limitations of conventional Thermal Elasto-Hydrodynamic Lubrication (TEHL) theory under extreme conditions. Our analysis reveals that established TEHL frameworks necessitate substantial modification to accurately capture pressure-viscosity-temperature coupling phenomena and seawater contamination kinetics. Meshing interface texturing, as an effective anti-friction and wear-mitigation strategy, is investigated to delineate its mechanistic pathways for enhancing lubricant film formation and tribological performance under starved lubrication regimes. Key findings demonstrate that optimized micro-texture architectures can effectively compensate for viscosity-induced fluidity deficits and attenuate the deleterious effects of seawater ingress. Critical knowledge gaps are identified, and future research trajectories are charted: (i) multiphysics coupling models integrating thermo-hydrodynamic, chemo-physical, and mechanical degradation processes; (ii) synergistic texture-coating design paradigms; (iii) high-pressure low-temperature experimental validation protocols; and (iv) engineering implementation frameworks for deep-sea gear transmission systems. This review establishes theoretical foundations and provides technical guidelines for robust lubrication design and long-term operational stability of deep-sea transmission equipment.

深海齿轮传动系统由于极端静水压力和低温的协同耦合而面临着严峻的润滑挑战。这些环境压力源导致润滑油粘度指数级上升,导致严重的流动性退化、启动阻力升高和润滑不足。同时,海水侵入会引发润滑油乳化、添加剂失活和啮合界面的电化学腐蚀,共同增加灾难性润滑失效的风险,并影响长期运行的可靠性。本研究系统地阐明了深海环境固有的润滑退化机制,并提出了有针对性的缓解策略。通过对深海环境参数及其对润滑油流变行为的影响的综合表征,我们批判性地评估了传统热弹性流体动力润滑(TEHL)理论在极端条件下的适用性和固有局限性。我们的分析表明,为了准确捕捉压力-粘度-温度耦合现象和海水污染动力学,需要对现有的TEHL框架进行大量修改。作为一种有效的抗摩擦和减缓磨损的策略,研究了网格界面纹理,以描述其在缺乏润滑条件下增强润滑膜形成和摩擦学性能的机理途径。主要研究结果表明,优化后的微结构结构可以有效补偿粘度引起的流动性缺陷,并减弱海水侵入的有害影响。确定了关键的知识空白,并绘制了未来的研究轨迹:(i)集成热流体动力学,化学物理和机械降解过程的多物理场耦合模型;(ii)协同纹理-涂层设计范式;(三)高压低温实验验证方案;(四)深海齿轮传动系统的工程实施框架。为深海传动设备的坚固润滑设计和长期稳定运行提供理论基础和技术指导。
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引用次数: 0
Axial-Flexural Performance of Steel Fiber-Reinforced Concrete Columns: Effects of Axial Load Ratio and Steel Fiber Volume Fraction. 钢纤维-钢筋混凝土柱轴向弯曲性能:轴向荷载比和钢纤维体积分数的影响。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-06 DOI: 10.3390/ma19051014
Sang-Woo Kim, In-Ho Park, Seungwook Seok, Wonchang Choi, Jinsup Kim

This study investigates the axial-flexural behavior of steel fiber-reinforced concrete (SFRC) columns under combined constant axial load and monotonic lateral loading. Nine column specimens with different axial load ratios (0.0, 0.10, and 0.20) and steel fiber contents (0.0%, 0.5%, and 1.0%) were tested under monotonic loading to evaluate their failure modes, load-deflection behavior, ductility, and energy absorption capacity. In addition, a sectional P-M interaction analysis was performed to examine the influence of steel fiber inclusion on flexural strength under different axial compression levels. The interaction diagrams indicated that steel fibers expanded the flexural strength envelope, with a more pronounced enhancement in the low-axial-load region. The test results revealed that increasing the axial load ratio enhanced the specimens' peak load capacity but reduced their ductility, leading to a brittle failure mode. Conversely, the incorporation of steel fiber improved the crack distribution, delayed crack propagation, and enhanced both ductility and energy absorption, particularly under moderate axial load conditions. The failure modes were characterized generally by flexural cracking and localized crushing in the compression zone, with the specimens that contained steel fiber exhibiting a more gradual post-peak load response than the specimens without steel fiber. The energy absorption capacity, quantified as the area under the load-deflection curve, was maximized when the axial load ratio of 0.10 was used in tandem with steel fiber reinforcement, indicating an optimal balance between strength and ductility. Overall, steel fiber inclusion improved deformation capacity and energy absorption under monotonic loading, particularly at low-to-moderate axial load ratios.

本文研究了钢纤维混凝土(SFRC)柱在恒定轴向载荷和单调侧向载荷联合作用下的轴向弯曲性能。对轴向载荷比(0.0、0.10、0.20)和钢纤维含量(0.0%、0.5%、1.0%)不同的9个柱试件进行了单调加载试验,对其破坏模式、荷载-挠曲行为、延性和能量吸收能力进行了评价。此外,还进行了截面P-M相互作用分析,以检验不同轴压水平下钢纤维夹杂物对抗弯强度的影响。相互作用图表明,钢纤维扩大了弯曲强度包络线,在低轴向载荷区域的增强更为明显。试验结果表明:增大轴向载荷比可提高试件的峰值承载能力,但降低试件的延性,导致试件呈现脆性破坏模式;相反,钢纤维的掺入改善了裂纹分布,延迟了裂纹扩展,增强了延性和能量吸收,特别是在中等轴向载荷条件下。破坏模式以弯曲开裂和受压区局部破碎为主要特征,含钢纤维的试件峰后荷载响应较不含钢纤维的试件更为平缓。轴向载荷比为0.10时,轴向载荷比为0.10时,钢纤维配筋的吸能能力最大,达到了强度与延性的最佳平衡。总体而言,钢纤维夹杂物改善了单调载荷下的变形能力和能量吸收,特别是在低至中等轴向载荷比下。
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引用次数: 0
Strain-Rate-Dependent Thermo-Microstructural Evolution in Fe-Mn-Si Shape Memory Alloys Under Cyclic Tensile Training Process. Fe-Mn-Si形状记忆合金在循环拉伸训练过程中应变速率相关的热组织演化
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-06 DOI: 10.3390/ma19051025
Qian Sun, Bo Cao, Takeshi Iwamoto

Iron-based shape memory alloys (Fe-SMAs) are promising for structural retrofitting because of their low cost, corrosion resistance, and manufacturability. However, the effect of strain rate on the coupled thermo-microstructural evolution during cyclic training remains underexplored. In this study, samples underwent cyclic tensile training at quasi-static and impact strain rates. After each cycle, DSC was adopted to obtain transformation temperatures and enthalpies, and selected cycles were characterized by EBSD (KAM and IPF) to quantify phase fractions and variant statistics. Results show tensile loading shifts transformation temperatures, with the principal difference between regimes appearing in the evolution of martensite finish temperature. Under impact loading, the transformation enthalpy increases more rapidly (0.18 to 0.8 J/g in absolute value), and the driving force decreases more markedly by the fourth cycle (-0.0578 to -0.1117 J/g), indicating faster thermodynamic changes at high strain rates. Internal stress and dislocation storage accumulate faster under impact, lowering the effective stress (-17.01 MPa) for transformation and promoting martensite nucleation/growth. EBSD reveals increasing lattice distortion; in impact-trained samples, single-variant martensite and higher stored energy reduce interface resistance and enable elastic energy release, accelerating transformation and improving shape recovery.

铁基形状记忆合金(fe - sma)因其低成本、耐腐蚀和可制造性而在结构改造中具有广阔的应用前景。然而,应变速率对循环训练过程中热-微观组织耦合演化的影响尚未得到充分研究。在这项研究中,样品在准静态和冲击应变率下进行了循环拉伸训练。每个循环结束后,采用DSC法获得相变温度和焓,并采用EBSD (KAM和IPF)对所选循环进行表征,量化相分数和变量统计。结果表明,拉伸载荷改变相变温度,主要差异表现在马氏体表面温度的演变过程中。冲击载荷作用下,相变焓增大更快(绝对值为0.18 ~ 0.8 J/g),驱动力在第4次循环时减小更明显(-0.0578 ~ -0.1117 J/g),表明高应变速率下的热力学变化更快。在冲击作用下,内应力和位错的积累加快,降低了相变有效应力(-17.01 MPa),促进了马氏体形核/长大。EBSD显示出越来越多的晶格畸变;在受冲击训练的样品中,单变马氏体和较高的存储能量降低了界面阻力,使弹性能释放,加速了转变,提高了形状恢复。
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引用次数: 0
Synergistic Utilization of Multi-Source Industrial Solid Wastes in Cementitious Materials: A Comprehensive Review. 多源工业固体废物在胶凝材料中的协同利用综述
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-06 DOI: 10.3390/ma19051019
Yang Xue, Xiaoming Liu, Qi Liang, Kaisheng Zhang, Yaguang Wang

The synthesis of cementitious binders incorporating industrial solid waste represents a strategic pathway toward achieving large-scale resource valorization. The synergistic utilization of binary and ternary solid waste systems has emerged as a prominent research field, leveraging the complementary physical and chemical attributes of diverse waste streams. This work systematically evaluates the synergistic effects within multi-component solid waste systems and analyzes their influence on the mechanical properties and hydration kinetics of cementitious matrices. Specifically, the underlying mechanisms of alkali-mediated structural evolution and sulfate-induced microstructural reinforcement are characterized to elucidate the collaborative interactions between different waste phases. Finally, the prevailing technical constraints in the application of multi-component wastes are identified, and strategic directions for future development are proposed. This study provides a vital theoretical framework for the high-volume and cost-effective utilization of industrial by-products as sustainable building materials, contributing to energy conservation and carbon footprint reduction within the construction industry.

利用工业固体废物合成胶凝粘合剂代表了实现大规模资源增值的战略途径。二元和三元固体废物系统的协同利用已成为一个突出的研究领域,利用不同废物流的互补物理和化学特性。本研究系统地评估了多组分固体废物系统中的协同效应,并分析了它们对胶凝基质力学性能和水化动力学的影响。具体而言,碱介导的结构演变和硫酸盐诱导的微观结构增强的潜在机制被表征,以阐明不同废物相之间的协同相互作用。最后,指出了多组分废弃物应用中存在的技术制约因素,并提出了未来发展的战略方向。本研究为工业副产品作为可持续建筑材料的大批量和高性价比利用提供了重要的理论框架,有助于建筑行业节能和减少碳足迹。
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引用次数: 0
Preparation, Biocompatibility, and In Vitro Bioactivity of High-Entropy Bio-Piezoelectric Ceramics. 高熵生物压电陶瓷的制备、生物相容性及体外生物活性。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-06 DOI: 10.3390/ma19051015
Huaizhang Gu, Yuanxun Li, Yunfei Kai, Xiaojuan Shang

A high-entropy strategy has emerged as a promising approach to enhance the functional properties of piezoelectric ceramics for biomedical applications. For this reason, we have designed two novel high-entropy ceramics, (Bi1/2Na1/2)(Zr1/3Sn1/3Ti1/3)O3(BNZST) and (Bi1/2Na1/2)(Zr1/4Sn1/4Hf1/4Ti1/4)O3(BNZSHT), which were synthesized via a two-step solid-state reaction. The phase structure, surface morphology, biocompatibility, and in vitro bioactivity were assessed. The results showed both ceramics adopted perovskite structures. BNZST and BNZSHT ceramics had relatively even crystallite sizes and element distribution, as well as achieving piezoelectric (d33 ≥ 78 pC/N) properties. In vitro tests confirmed a high relative cell growth rate (RSG, >80%) after co-culturing BNZST or BNZSHT ceramic with murine fibroblasts L929 for more than 3 days. In particular, the surface with electric charge enhanced L929 with more extensive, widespread, and dense proliferation for the BNZST ceramic compared to ceramics without BNZST or unpolarized BNZST. The above indicated that multi-element doping and entropy stabilization established a novel pathway for developing a high-entropy bio-piezoelectric ceramics with high biocompatibility and bioactivity, providing the possibility for their use in bone repair materials.

高熵策略已成为提高压电陶瓷在生物医学应用中的功能特性的一种有前途的方法。为此,我们设计了两种新型高熵陶瓷(Bi1/2Na1/2)(Zr1/3Sn1/3Ti1/3)O3(BNZST)和(Bi1/2Na1/2)(Zr1/4Sn1/4Hf1/4Ti1/4)O3(BNZSHT),并通过两步固相反应合成。对其相结构、表面形态、生物相容性和体外生物活性进行了评价。结果表明,两种陶瓷均采用钙钛矿结构。BNZST和BNZSHT陶瓷具有相对均匀的晶粒尺寸和元素分布,实现了压电(d33≥78 pC/N)性能。体外实验证实,BNZST或BNZSHT陶瓷与小鼠成纤维细胞L929共培养超过3天后,细胞的相对生长率较高(RSG, bbb80 %)。与未极化的BNZST或未极化的BNZST相比,带电荷的表面增强了L929,具有更广泛、广泛和密集的扩散。以上结果表明,多元素掺杂和熵稳定为开发具有高生物相容性和生物活性的高熵生物压电陶瓷开辟了新的途径,为其在骨修复材料中的应用提供了可能。
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引用次数: 0
Efficient Microwave-Assisted Palladium-Catalyzed Selective N-Arylation of Anilines with 2,3-Dihalopyridines in Water. 微波辅助钯催化苯胺与2,3-二卤吡啶的选择性n -芳基化反应。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-05 DOI: 10.3390/ma19051003
Hao-Chun Hu, Cheng-Yi Chen, Shyh-Chyun Yang

Under aqueous conditions, transition-metal catalysis offers an attractive platform for greener C-N bond formation by reducing reliance on hazardous organic solvents. Herein, we report a microwave-assisted palladium-catalyzed selective N-arylation of anilines with 2,3-dihalopyridines in water. Systematic optimization revealed that a catalyst system comprising PdCl2(1,10-phenanthroline)2 and (±)-BINAP in the presence of K3PO4 enables efficient coupling under microwave irradiation. Under the optimized conditions (PdCl2(1,10-Phenanthroline)2, 2 mol%; (±)-BINAP, 3 mol%; K3PO4, 3.5 equiv; H2O, 2.5 mL; 150 °C; 30 min), the coupling of aniline with 2,3-dichloropyridine afforded the corresponding aminopyridine product in up to 91% isolated yield. The method was extended to various 2,3-dihalopyridines and substituted anilines, providing moderate to excellent yields with good regioselectivity. Mechanistically, the transformation is consistent with a Pd(0)/Pd(II) catalytic cycle involving oxidative addition, amido complex formation, and reductive elimination.

在水条件下,过渡金属催化通过减少对有害有机溶剂的依赖,为更环保的C-N键形成提供了一个有吸引力的平台。在此,我们报道了微波辅助钯催化的苯胺与2,3-二卤吡啶的选择性n -芳基化。系统优化表明,在K3PO4存在下,PdCl2(1,10-菲罗啉)2和(±)-BINAP组成的催化剂体系在微波辐射下能实现高效偶联。在优化条件下(PdCl2(1,10-菲罗啉)2,2 mol%;(±)-BINAP, 3 mol%;K3PO4, 3.5等;H2O, 2.5 mL;150°C;30 min),苯胺与2,3-二氯吡啶偶联可得到相应的氨基吡啶产物,分离收率高达91%。将该方法推广到各种2,3-二卤吡啶和取代苯胺,收率中等至优异,具有良好的区域选择性。从机理上讲,该转化符合Pd(0)/Pd(II)催化循环,包括氧化加成、酰胺络合物形成和还原消除。
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引用次数: 0
Bio-Inspired Voronoi-Based Porous Tubular Structure Design and Crashworthiness Properties. 基于仿生voronoi的多孔管结构设计及其耐撞性能。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-05 DOI: 10.3390/ma19050997
Mengfei Han, Qinxi Dong, Hui Wang

Porous tubular structures are of significant interest in engineering due to their exceptional potential for lightweight design, energy absorption, and multifunctional integration. Inspired by the unique net architecture of natural luffa sponges, this study introduces a novel design approach for such structure, namely bio-inspired Voronoi Tube (BVT). This design employs Voronoi tessellation patterns, parametrically controlled through the spatial distribution of seed points and integrates iterative optimization algorithms, to achieve precise coordinated regulation over the randomness and continuity of the resulting spatial network, closely mimicking the biological paradigm. Then, specimens are fabricated via additive manufacturing and then quasi-statically compressed axially, followed by systematic mechanical testing of the base material. The experimental results are analyzed to reveal the BVT structure's mechanical responses and simultaneously validate finite-element simulation model. Subsequently, a systematic numerical analysis is performed to further understand the deformation mechanisms of the BVT structure and the influence of key geometric parameters. The results indicate that the iteratively optimized BVT structure successfully replicates the characteristic energy absorption behavior of the natural luffa sponge, confirming the effectiveness of the bio-inspired design. A rise in diameter from 0.6 mm to 1.0 mm results in a 78.32% increase in the specific energy absorption (SEA). Under identical mass conditions, tailored adjustments to the geometry can enhance the SEA by up to 34.57%.

多孔管状结构由于其在轻量化设计、能量吸收和多功能集成方面的特殊潜力而在工程上引起了极大的兴趣。受天然丝瓜海绵独特的网状结构的启发,本研究引入了一种新的网状结构设计方法,即仿生Voronoi管(BVT)。本设计采用Voronoi镶嵌模式,通过种子点的空间分布进行参数化控制,并集成迭代优化算法,对由此产生的空间网络的随机性和连续性进行精确的协调调节,密切模仿生物范式。然后,通过增材制造制作试样,然后进行准静态轴向压缩,然后对基材进行系统的力学测试。对实验结果进行了分析,揭示了BVT结构的力学响应,同时验证了有限元仿真模型。随后,通过系统的数值分析,进一步了解了BVT结构的变形机理和关键几何参数的影响。结果表明,迭代优化的BVT结构成功地复制了天然丝瓜海绵的特征吸能行为,证实了仿生设计的有效性。直径从0.6 mm增加到1.0 mm导致比能量吸收(SEA)增加78.32%。在相同的质量条件下,量身定制的几何形状调整可以将SEA提高34.57%。
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