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Enhancement mechanism of tribological properties of FeCoCrNiAl0.5-X ZrB2 coatings feccrnial0.5 - x ZrB2涂层摩擦学性能增强机理
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.matlet.2025.139893
Xi Wang , Yang Chen , Hanpeng Gao , Ping Liang
In this study, the enhancement mechanism of tribological properties of FeCoCrNiAl0.5-X ZrB2 (X = 10, 30 wt%) coatings was investigated using experiments and molecular dynamics simulations. Experimental results indicated that 30 wt% ZrB2 coatings exhibit superior tribological performance. As the ZrB2 content increases, a transformation from columnar to equiaxed crystals occurs, resulting in a significant reduction in adhesive wear. Molecular dynamics nano-wear simulations indicated that higher ZrB₂ content mitigates stress concentration around the friction pair and inhibits the formation of dislocation nodes. Furthermore, the increased ZrB2 content hinders slip plane activation, restricts layer slip and prevents the formation of dislocation lock.
本文通过实验和分子动力学模拟研究了FeCoCrNiAl0.5-X ZrB2 (X = 10,30 wt%)涂层的摩擦学性能增强机理。实验结果表明,30wt % ZrB2涂层具有优异的摩擦学性能。随着ZrB2含量的增加,由柱状晶向等轴晶转变,显著降低了粘着磨损。分子动力学纳米磨损模拟表明,较高的ZrB 2含量减轻了摩擦副周围的应力集中,抑制了位错节点的形成。ZrB2含量的增加阻碍了滑移面活化,限制了层滑移,阻止了位错锁的形成。
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引用次数: 0
Organic and inorganic transport layer engineering for Rb2SnI6 perovskite solar cell: A comparative simulation study Rb2SnI6钙钛矿太阳能电池有机和无机输运层工程:比较模拟研究
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.matlet.2025.139890
Bhavani Naga Prasanna H , S. Ratna Kumari , Dakshinamoorthy Prasanna
Traditional perovskite solar cells experience limitations in performance and stability because of the selection of transport layers. In this study, the authors evaluate the photovoltaic performance of organic (C60/PTAA) versus inorganic (WS2/Cu2O) transport layers on the performance of Rb2SnI6-based lead-free perovskite solar cells, simulated using SCAPS-1D. The organic transport layer device exhibited large band offsets, causing higher interfacial recombination, whereas the inorganic transport layer device showed a minor conduction band offset, resulting in lower recombination. With increasing absorber thickness, the PCE for inorganic (∼30 %) is slightly higher than that for organic (∼29 %). The optimized parameters highlight the advantage of inorganic transport layers for high-performance lead-free Rb2SnI6 perovskite solar cells.
由于传输层的选择,传统的钙钛矿太阳能电池在性能和稳定性方面受到限制。在这项研究中,作者评估了有机(C60/PTAA)和无机(WS2/Cu2O)传输层的光伏性能对rb2sni6基无铅钙钛矿太阳能电池性能的影响,使用SCAPS-1D进行了模拟。有机输运层器件表现出较大的带偏移,导致界面复合率较高,而无机输运层器件表现出较小的导带偏移,导致界面复合率较低。随着吸收剂厚度的增加,无机(~ 30%)的PCE略高于有机(~ 29%)。优化后的参数突出了无机传输层在高性能无铅Rb2SnI6钙钛矿太阳能电池中的优势。
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引用次数: 0
Synergistic strengthening induced by interfacial vortices and dynamic recrystallisation in magnetic pulse welded aluminium alloys 磁脉冲焊接铝合金中界面涡诱导的协同强化和动态再结晶
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.matlet.2025.139843
Zhijian Lu, Xinyan Xiao, Chao Wang, Lanjun Yang
Achieving high-strength joints in aluminium alloys remains challenging. The superior performance of AA6061 magnetic pulse welding (MPW) joints stems from a dual-scale synergy between interfacial vortices and dynamic recrystallisation (DRX). As the charging voltage increases from 16 to 20 kV, the interface evolves from a flat morphology to steady-state waves with mature Kelvin–Helmholtz instability (KHI) vortices. Electron backscatter diffraction reveals progressive broadening of a DRX-like refined band, with low-angle grain boundaries dominating at 18 kV and high-angle grain boundaries increasing at 20 kV, indicating a dynamic recovery → continuous DRX (cDRX) pathway. Transmission electron microscopy confirms an atomically clean, single-phase fcc-Al interface, indicating KHI-induced self-cleaning. Tensile and nanoindentation tests show that at ≥18 kV, the joint strength approaches the base metal, with a cross-interface ‘hardening peak’ increasing in magnitude and affected width with input energy. These improvements arise from macroscopic geometric interlocking from KHI vortices, combined with Hall–Petch and dislocation-pinning strengthening from cDRX refinement. These mechanisms enhance Al–Al MPW joints.
在铝合金中实现高强度接头仍然具有挑战性。AA6061磁脉冲焊接(MPW)接头的优异性能源于界面涡旋和动态再结晶(DRX)之间的双尺度协同作用。当充电电压从16 kV增加到20 kV时,界面由扁平形态演变为具有成熟的Kelvin-Helmholtz不稳定(KHI)涡的稳态波。电子后向散射衍射显示了一个类似DRX的细化带逐渐展宽,在18 kV时低角晶界占主导地位,在20 kV时高角晶界增加,表明了一个动态恢复→连续DRX (cDRX)途径。透射电镜证实了原子清洁,单相fcc-Al界面,表明hi诱导的自清洁。拉伸和纳米压痕试验表明,在≥18 kV时,接头强度接近母材强度,界面间“硬化峰”的强度和宽度随输入能量的增加而增大。这些改进来自KHI涡旋的宏观几何联锁,以及cDRX改进的Hall-Petch和位错-钉住强化。这些机制增强了Al-Al MPW关节。
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引用次数: 0
Research on the protective effects of different cement-based concrete surfaces using silicone impregnating agents 硅酮浸渍剂对不同水泥基混凝土表面防护效果的研究
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.matlet.2025.139889
Jiawei Wang, Yanhua Kuang, Tao Xie, Shutong Yan, Abudusaimaiti Kali, Weilin Yan
This study investigates the protective effects of applying silicone impregnation to different cement-based concrete under salt-freezing conditions. Using the isobutyltriethoxysilane (IB) as the impregnating agent, four common types of cement-based concrete were treated: ordinary Portland cement concrete (OPC), slag Portland cement concrete (PSC), pozzolanic Portland cement concrete (PPC), and fly ash Portland cement concrete (PFC). Results show all IB-treated groups exhibit enhanced hydrophobicity and freeze-thaw (F/T) resistance, but with a key novel finding: PSC-IB and PPC-IB achieve optimal F/T performance, with mass loss <200 g/m2 after 28 cycles. PSC-IB shows a statistically significant 39.1 % improvement in relative dynamic modulus of elasticity (RDME) compared to the blank. In contrast, OPC-IB exhibits the highest contact angle (CA) of 116.0°, but its frost resistance is inferior. Energy-dispersive X-ray spectroscopy (EDS) testing reveals that the OPC-IB Ca/Si ratio is approximately 1.49, which is significantly higher than the 0.71 ratio observed in PSC-IC. This is due to the internal porous structure of OPC and its unstable hydration products, which allow water to easily penetrate and freeze during freeze-thaw cycles. This reveals that hydrophobicity alone does not determine protection efficacy; cement-based and microstructure also play an important role.
研究了硅酮浸渍对不同水泥基混凝土在盐冻条件下的保护作用。以异丁基三乙氧基硅烷(IB)为浸渍剂,对普通硅酸盐水泥混凝土(OPC)、矿渣硅酸盐水泥混凝土(PSC)、火山灰硅酸盐水泥混凝土(PPC)和粉煤灰硅酸盐水泥混凝土(PFC)四种常见水泥基混凝土进行了处理。结果表明,所有ib处理组均表现出增强的疏水性和抗冻融(F/T)能力,但关键的新发现是:PSC-IB和PPC-IB具有最佳的F/T性能,28次循环后质量损失为200 g/m2。与空白相比,PSC-IB在相对动态弹性模量(RDME)方面具有统计学意义的39.1%的改善。OPC-IB的接触角(CA)最高,为116.0°,但抗冻性较差。能量色散x射线能谱(EDS)测试表明,OPC-IB的Ca/Si比值约为1.49,显著高于PSC-IC的0.71。这是由于OPC的内部多孔结构及其不稳定的水化产物,这使得水在冻融循环中很容易渗透和冻结。这表明疏水性本身并不能决定保护效果;水泥基和微观结构也起着重要作用。
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引用次数: 0
Influence of ultrasonic assistance during wire arc additive manufacturing on the structure, texture and martensitic transformation in the NiTi shape memory alloy 电弧增材制造过程中超声辅助对NiTi形状记忆合金组织、织构及马氏体相变的影响
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.matlet.2025.139842
Sergey Belyaev , Vasili Rubanik , Vasili Rubanik jr , Natalia Resnina , Dmitry Draba , Maria Starodubova , Vladimir Kalganov , Denis Danilov
Four-layered NiTi samples were deposited by wire arc additive manufacturing (WAAM) on titanium substrate, both under or without the ultrasonic (US) assistance. It was shown that US assistance during WAAM decreased the length of dendrites more than ten times. The US assistance during WAAM decreased the volume fraction of the Ti2Ni phase from 64 to 40 % in bottom layers and from 30 to 13 % in top layers due to a decrease in substrate volume that remelted during deposition of the first layer. The B2 ↔ B19’ transformation occurred in two stages when the sample was deposited without US assistance and it occurs in a single stage when US assistance was applied to the substrate. This effect was attributed to the homogenization of the NiTi phase composition induced by US assistance during WAAM. The deposition of the sample by WAAM under US assistance significantly decreased the sample texture.
采用电弧增材制造技术(WAAM)在钛基板上沉积了四层NiTi样品,在超声(US)辅助下或在无超声(US)辅助下均可。结果表明,在WAAM期间,美国的援助使树突长度减少了10倍以上。在WAAM过程中,由于第一层沉积过程中重熔的衬底体积减少,使得底层的Ti2Ni相的体积分数从64%降低到40%,顶层的Ti2Ni相的体积分数从30%降低到13%。当样品在没有美国协助的情况下沉积时,B2↔B19 ‘发生在两个阶段,当美国协助作用于基质时,B2↔B19 ’发生在一个阶段。这种影响是由于在WAAM过程中,美国的帮助导致了NiTi相组成的均匀化。在美国的帮助下,WAAM沉积样品显著降低了样品的织构。
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引用次数: 0
Point defects and vacancy clusters formed in nickel-iron alloys due to neutron irradiation 中子辐照在镍铁合金中形成点缺陷和空位团簇
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.matlet.2025.139892
Junjie Ren , Qianqing Yang , Ye Li , Xinlan Liu , Yihao Zhang
This study integrated molecular dynamics with Monte Carlo simulations to examine radiation-induced defects in Ni30Fe and Ni45Fe alloys under 1 MeV neutron irradiation. The prior studies on neutron irradiation in NiFe alloys did not adequately account for the proportional distribution and average energy of primary knock-on atoms. In contrast, this study provides a more accurate representation of residual point defects and vacancy cluster formation by incorporating these previously overlooked factors. The findings not only align more closely with experimental observations but also offer a clearer microscopic explanation for the macroscopic changes observed in neutron-irradiated NiFe alloys.
本研究将分子动力学与蒙特卡罗模拟相结合,研究了Ni30Fe和Ni45Fe合金在1mev中子辐照下的辐射致缺陷。以往对中子辐照NiFe合金的研究没有充分考虑初等撞击原子的比例分布和平均能量。相比之下,本研究通过结合这些先前被忽视的因素,提供了更准确的残余点缺陷和空位团簇形成的表示。这一发现不仅与实验结果更接近,而且为中子辐照NiFe合金中观察到的宏观变化提供了更清晰的微观解释。
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引用次数: 0
Cementitious composites with low thermal conductivity by incorporating nanoporous calcium silicate for energy efficient buildings 结合纳米多孔硅酸钙的低导热胶凝复合材料,用于节能建筑
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.matlet.2025.139856
Cheng Hai Wang , Li Hong Chang , Rong Kun Fang , Chang Bao Han , Quan Jiang , Hui Yan
Nanoporous calcium silicate (PCS) with well-developed pore structure was prepared by hydrothermal method, and PCS modified cement-based thermal insulator (PMCI) with low thermal conductivity and non-combustible property was prepared by pressing molding process. The decrease in thermal conductivity of PMCI is mainly due to introduction of a large number of micro-nanopores by PCS. PMCI exhibit excellent fire resistance performance because of special structure and the endothermic effect of PCS at high temperature.
采用水热法制备了孔隙结构发达的纳米多孔硅酸钙(PCS),并采用压制成型法制备了具有低导热性和不燃性的PCS改性水泥基绝热材料(PMCI)。PMCI导热系数的降低主要是由于PCS引入了大量的微纳孔。PMCI由于其特殊的结构和PCS在高温下的吸热效应而表现出优异的耐火性能。
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引用次数: 0
TiN interfacial layer induces stress release and crystallographic orientation control in LiCoO2 films to enhance electrochemical performance TiN界面层诱导LiCoO2薄膜的应力释放和晶体取向控制,从而提高其电化学性能
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.matlet.2025.139891
Yu Zhao , Jing Zhu , Chao Zeng
This study addresses the challenge of significant residual stress in thick LiCoO2 cathodes for all-solid-state thin-film lithium batteries during high-temperature annealing, which leads to cracking and performance degradation. We propose a solution utilizing titanium nitride (TiN) as an interfacial buffer layer. By depositing TiN layers of varying thicknesses (6, 12, and 18 nm) on substrates, we systematically investigated their effects on the microstructure, residual stress, and electrochemical performance of ∼10 μm thick LiCoO2 films. Results indicate that a 12 nm TiN layer is optimal, inducing a unique bilayer structure in LiCoO2: a lower layer with (003) orientation and an upper layer with (104) orientation, effectively mitigating stress concentration. The corresponding full cell exhibits minimal hysteresis voltage (∼158 mV) and excellent rate capability (86 % capacity retention at 3.5C). This work provides an effective interface-engineering strategy for stress management in thick-film electrodes.
本研究解决了用于全固态薄膜锂电池的厚LiCoO2阴极在高温退火过程中存在显著的残余应力,从而导致开裂和性能下降的问题。我们提出了一种利用氮化钛(TiN)作为界面缓冲层的解决方案。通过在衬底上沉积不同厚度(6、12和18 nm)的TiN层,我们系统地研究了它们对~ 10 μm厚LiCoO2薄膜的微观结构、残余应力和电化学性能的影响。结果表明,在LiCoO2中,12 nm的TiN层是最优的,可以形成独特的双层结构:下层为(003)取向,上层为(104)取向,有效地缓解了应力集中。相应的完整电池具有最小的滞后电压(~ 158 mV)和优异的倍率能力(在3.5C时容量保持86%)。这项工作为厚膜电极的应力管理提供了一种有效的界面工程策略。
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引用次数: 0
Oxygen-supplying self-disinfecting titanium osteoimplants via polyphenol-mediated in-situ growth of CaO2 in TiO2 nanotubes 通过多酚介导的二氧化钛纳米管原位生长的供氧自消毒钛骨植入物
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.matlet.2025.139888
Yuling Zhang , Bin Cui , Huilong Xin , Yirong Chen , Zhaojun Jia
Local hypoxia and bacterial infection critically impede osseointegration of titanium implants in large, vasculature-impaired bone defects. To address this, we engineered a multifunctional coating integrating tannic acid (TA) and calcium peroxide (CaO2) onto anodized titanium substrate via a one-pot interfacial synthesis, where TA acted as a chemical anchor that mediated the nucleation and stabilized the oxygen-generating CaO2 within TiO2 nanotubes (TNT). Material characterization confirmed the successful fabrication of a TNT-TA-CaO2 composite coating, which demonstrated sustained oxygen release and effectively alleviated hypoxia in preosteoblasts, while achieving ∼95% antibacterial efficacy against Staphylococcus aureus. This work offers a facile integrated strategy to endow implants with self‑oxygenating and antibacterial capabilities to bolster bone regeneration in hostile microenvironments.
局部缺氧和细菌感染严重阻碍钛种植体在大血管受损骨缺损中的骨整合。为了解决这个问题,我们设计了一种多功能涂层,通过一锅界面合成将单宁酸(TA)和过氧化钙(CaO2)整合到阳极氧化的钛基体上,其中TA作为化学锚,介导成核并稳定TiO2纳米管(TNT)内生成氧气的CaO2。材料表征证实了TNT-TA-CaO2复合涂层的成功制备,该涂层表现出持续的氧气释放,有效缓解了成骨前细胞的缺氧,同时对金黄色葡萄球菌的抗菌效果达到约95%。这项工作提供了一种简单的集成策略,赋予植入物自充氧和抗菌能力,以支持恶劣微环境下的骨再生。
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引用次数: 0
Assessing the oxidation resistance of Ta10W in static high-temperature environments through in-situ EIS and ex-situ kinetic study in high ramping rate (100 °C/ min) for aerospace applications” 通过原位EIS和非原位动力学研究,评估Ta10W在静态高温环境中的抗氧化性,用于航空航天应用的高斜坡速率(100°C/ min)。
IF 2.7 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-27 DOI: 10.1016/j.matlet.2025.139885
Kathiravan S., Gobi Saravanan Kaliaraj
Refractory alloys have played a prominent role, particularly in aerospace applications, for the past few decades. The present study examines the isothermal oxidation resistance of refractory alloy Ta10W at 800 °C and 1000 °C. Electrochemical impedance spectroscopy (EIS) coupled muffle furnace examined the oxidation resistance of Ta10W. A detailed understanding of oxidation kinetics was explored by phase and chemical analysis using X-ray diffraction and X-ray photoelectron spectroscopy (XPS) at. Surface morphology of oxide products was identified using scanning electron microscopy (SEM) as rock. According to the EIS data, the charge transfer resistance values vary over time based on the oxide growth and kinetics is fitted for parabolic fitting as like weight loss due to oxidation.
在过去的几十年里,耐火合金发挥了突出的作用,特别是在航空航天应用中。本研究考察了Ta10W耐火合金在800℃和1000℃下的等温抗氧化性能。电化学阻抗谱(EIS)耦合马弗炉检测了Ta10W的抗氧化性。利用x射线衍射和x射线光电子能谱(XPS)对氧化动力学进行了物相分析和化学分析。用扫描电子显微镜(SEM)对氧化产物的表面形貌进行了鉴定。根据EIS数据,电荷传递电阻值随着时间的变化而变化,基于氧化物的生长,动力学拟合为抛物线拟合,如氧化引起的重量损失。
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引用次数: 0
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