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Optimization of palm oil bleaching with Anfoega kaolin clay: a local solution Anfoega高岭土漂白棕榈油的优化:局部解决方案
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-27 DOI: 10.1186/s40712-025-00278-9
Johannes Ami, Richmond N. A. Nubuor, Raphael Odai, Bright Larbi Asante, Isaac K. Frimpong, Beatrice Borkor

The bleaching properties of locally acid-activated Anfoega kaolin clays have been studied to investigate their applicability as a substitute for the expensive imported acid-activated bleaching clays used in vegetable oil refinery industries in Ghana. The clay was characterized by X-ray fluorescence (XRF), X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectrophotometer, and scanning electron microscopy (SEM). The bleaching properties of the clay were investigated by varying the clay dosage, acid concentration, and bleaching temperature. Activation of the Anfoega kaolin clay at 100 °C and 2.5 h with constant stirring was found to be optimum conditions of temperature and contact time, respectively. The clay/acid ratio was found not to significantly affect the clay properties. Palm oil was used to investigate the bleaching performance of the activated clay samples. When the oil was bleached at 90 °C for 30 min using 10% wt/vol of oil, clay activated with 2 mol/L H2SO4, the bleaching performance obtained was up to 94.54%. Response surface plot methodology revealed that the optimal bleaching conditions were achieved with a clay dosage of 10 g, a temperature range of 70 to 120 °C, and a bleaching duration of 60 min resulting in a bleaching efficiency of 81%.

研究了本地酸活化Anfoega高岭土的漂白性能,以研究其替代加纳植物油炼制工业中昂贵的进口酸活化漂白粘土的适用性。采用x射线荧光(XRF)、x射线衍射(XRD)、傅里叶变换红外(FTIR)分光光度计和扫描电镜(SEM)对粘土进行了表征。考察了粘土用量、酸浓度和漂白温度对其漂白性能的影响。Anfoega高岭土的最佳活化温度为100℃,持续搅拌2.5 h,接触时间为2.5 h。粘土/酸比对粘土的性能影响不显著。用棕榈油考察了活性粘土样品的漂白性能。用10% wt/vol的油,2 mol/L H2SO4活化粘土,在90℃条件下漂白30 min,漂白效果可达94.54%。响应面图方法表明,最佳漂白条件为粘土用量为10 g,温度范围为70 ~ 120℃,漂白时间为60 min,漂白效率为81%。
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引用次数: 0
A review on the environment’s influence on coastal marine steel corrosion and in-situ monitoring 环境对沿海海钢腐蚀的影响及现场监测研究进展
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-27 DOI: 10.1186/s40712-025-00352-2
Christos Kassinis, Lazaros Aresti, Marios Koronides, Paul Christodoulides, Constantine Michailides, Toula Onoufriou

Marine corrosion is a critical subject that holds substantial importance from multiple perspectives, including engineering design, structural safety, and economic sustainability. The harsh marine environment presents unique challenges, as the interaction between steel structures and corrosive elements can lead to significant degradation over time, impacting the performance, reliability, and longevity of critical infrastructure. Understanding the mechanisms and effects of marine corrosion is essential for optimizing design strategies, ensuring safety, and reducing unnecessary costs associated with over-engineering or premature failures. This study seeks to contribute to this understanding by comprehensively reviewing and synthesizing the current body of knowledge available in the literature. It examines the key factors influencing corrosion in marine environments, such as salinity, temperature, and biofouling, and explores their specific effects on steel structures commonly used in marine applications. Additionally, the study highlights the importance of field monitoring techniques, providing an overview of methodologies used to observe and measure corrosion rates in real-world conditions. These techniques are crucial for capturing the dynamic and complex nature of marine corrosion processes and for developing realistic models to predict long-term impacts.

从工程设计、结构安全和经济可持续性等多个角度来看,海洋腐蚀是一个至关重要的课题。恶劣的海洋环境带来了独特的挑战,因为钢结构和腐蚀性元素之间的相互作用会随着时间的推移导致严重的退化,影响关键基础设施的性能、可靠性和寿命。了解海洋腐蚀的机制和影响对于优化设计策略、确保安全、减少与过度工程或过早失效相关的不必要成本至关重要。本研究旨在通过全面回顾和综合文献中现有的知识体系来促进这种理解。它考察了海洋环境中影响腐蚀的关键因素,如盐度、温度和生物污染,并探讨了它们对海洋应用中常用的钢结构的具体影响。此外,该研究还强调了现场监测技术的重要性,概述了在实际条件下观察和测量腐蚀速率的方法。这些技术对于捕捉海洋腐蚀过程的动态和复杂性质以及开发预测长期影响的现实模型至关重要。
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引用次数: 0
Silica nanoparticles from agave distillate for the removal of the Methylene Blue dye from water 从龙舌兰蒸馏物中提取二氧化硅纳米颗粒,用于去除水中的亚甲基蓝染料
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-23 DOI: 10.1186/s40712-025-00322-8
N. Elizondo Villarreal, E. Gandara Martinez, Eduardo Perez Tijerina, Francisco Vazquez Rodriguez, F. Paraguay Delgado

This study explores the synthesis of SiO₂ nanoparticles using Agave distillate as a natural capping, reducing, and stabilizing agent and investigates their application in methylene blue (MB) dye removal from water. The synthesized nanoparticles demonstrated significant adsorption of MB without the need for UV light, highlighting their suitability for sustainable water treatment. Structural characterization through X-ray diffraction (XRD) confirmed an amorphous silica structure, with a peak at 2θ = 24°, consistent with high-purity SiO₂. Transmission electron microscopy (TEM) and energy-dispersive X-ray spectroscopy (EDX) further verified the nanoparticles’ morphology and purity, showing only silicon and oxygen elements. Adsorption tests revealed an increase in MB adsorption efficiency with higher SiO₂ dosages: 10 mg, 50 mg, and 100 mg of nanoparticles resulted in 28%, 49%, and 86% adsorption within 5 min, respectively. This efficiency is largely due to the electrostatic attraction between the negatively charged SiO₂ surface and the cationic MB molecules, facilitating adsorption and subsequent adsorption. By using Agave distillate in the synthesis process, this approach avoids hazardous chemicals, supporting eco-friendly practices. The findings underscore the potential of SiO₂ nanoparticles for sustainable water treatment applications that are both effective and environmentally benign.

本研究探索了以龙舌兰馏分物作为天然封盖、还原和稳定剂合成二氧化硅纳米颗粒,并研究了其在水中去除亚甲基蓝(MB)染料中的应用。合成的纳米颗粒在不需要紫外线的情况下对MB有明显的吸附,突出了它们在可持续水处理中的适用性。通过x射线衍射(XRD)对结构进行表征,证实为非晶态二氧化硅结构,峰位于2θ = 24°处,与高纯sio2相一致。透射电子显微镜(TEM)和能量色散x射线光谱(EDX)进一步验证了纳米颗粒的形态和纯度,仅显示出硅和氧元素。吸附实验表明,随着sio2用量的增加,纳米颗粒对MB的吸附效率也有所提高:10 mg、50 mg和100 mg纳米颗粒在5 min内的吸附率分别为28%、49%和86%。这种效率很大程度上是由于带负电荷的SiO₂表面与带阳离子的MB分子之间的静电吸引,有利于吸附和后续吸附。通过在合成过程中使用龙舌兰蒸馏物,这种方法避免了危险化学品,支持环保实践。这些发现强调了二氧化硅纳米颗粒在有效和环保的可持续水处理应用中的潜力。
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引用次数: 0
Electrochemical performance of nickel-modified glassy carbon electrodes for glucose oxidation: ionic liquid vs. aqueous deposition methods 用于葡萄糖氧化的镍修饰玻碳电极的电化学性能:离子液体与水沉积方法
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-22 DOI: 10.1186/s40712-025-00332-6
Narmin M. Hamadamin, Hassan H. Abdallah, Mohamed I. Awad

This study examines the electrochemical performance of nickel-modified glassy carbon electrodes (GCEs) deposited from ionic liquid, typically ethaline, (NiIL/GC) and aqueous solutions (NiAQ/GC) for glucose oxidation. SEM analysis shows a fine-grained, nanostructured morphology with microcracks in the ionic liquid-deposited film. EDX confirms high nickel content (44.6%) and surface oxidation (6.8%). XRD indicates face-centered cubic nickel and nickel oxides with an average nanoparticle size of 33 nm. Cyclic voltammetry reveals NiIL/GC exhibits superior electron transfer and catalytic activity towards glucose oxidation, with sharper oxidation peaks and a 100 mV cathodic shift compared to NiAQ/GC. Nyquist plots show lower impedance for NiIL/GC, signifying improved charge transfer efficiency. Tafel analysis shows a lower slope (30 mV/decade) for NiIL/GC, indicating faster glucose oxidation kinetics. The NiIL/GC electrode also demonstrates superior stability with minimal degradation during long-term cycling. These results highlight NiIL/GC’s enhanced electrochemical properties and stability, making it promising for glucose sensing and electrocatalytic applications.

本研究考察了离子液体(通常是乙炔)(NiAQ/GC)和水溶液(NiAQ/GC)沉积的镍修饰玻碳电极(GCEs)用于葡萄糖氧化的电化学性能。扫描电镜分析表明,离子液体沉积膜具有细颗粒、纳米结构的微观形貌和微裂纹。EDX证实了高镍含量(44.6%)和表面氧化(6.8%)。XRD表明,面心立方镍和氧化镍的平均纳米颗粒尺寸为33 nm。循环伏安法表明,与NiAQ/GC相比,NiIL/GC具有更强的电子转移和催化活性,氧化峰更明显,阴极位移为100 mV。Nyquist图显示,NiIL/GC的阻抗较低,表明电荷转移效率提高。Tafel分析显示,NiIL/GC的斜率较低(30 mV/ 10年),表明葡萄糖氧化动力学更快。NiIL/GC电极也表现出优异的稳定性,在长期循环过程中降解最小。这些结果突出了NiIL/GC增强的电化学性能和稳定性,使其在葡萄糖传感和电催化方面具有广阔的应用前景。
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引用次数: 0
Electroblowing of poly(vinylidene fluoride) fibres—effect of hydroxyapatite precursors 聚偏氟乙烯纤维的电吹制&羟基磷灰石前体的影响
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-16 DOI: 10.1186/s40712-025-00309-5
Júnio A. R. Pasqual, Mikko Ritala, Carla C. Schmitt

Fibre production can be conducted using a variety of techniques, including electrospinning and electroblowing. These techniques require strict control of different parameters, such as the voltage, presence of fillers, viscosity, and airflow rate (for electroblowing). At the end of the process, fibres with different morphologies are obtained. Poly-1,1-difluoroethene (PVDF) is a polymer with excellent potential for fibre applications due to its properties, including good piezoelectricity, biocompatibility, and pyroelectricity. These attributes make PVDF suitable for biomedical applications. Other applications include conventional and hybrid nanogenerators, sensors, and potentially future green energy sources. To achieve a high production rate of fibres, parameter control must be sufficient to obtain fibres with the required characteristics at the spinning process. In this study, Ca(NO3)2·4H2O and triethyl phosphate (TEP) were used as precursors at the hydroxyapatite (HAp) production within a polymeric solution to increase the PVDF fibre production rate and change morphology. The analysis techniques of X-ray diffraction, Fourier-transform infrared spectroscopy, Raman spectroscopy, scanning electron microscopy, transmission electron microscopy mechanical tensile test, and viscosity analysis were employed to observe the effect of the HAp precursor solution on the fibre’s final properties. The addition of 5% and 10% of the solution containing these two precursors dissolved in ethanol (EtOH) increased the fibre diameter from 0.2 µm (without precursors) to 1.1 µm (5% of precursors) and 1.6 µm (10% of precursors). Additionally, the distribution of fibres on the collector became more uniform, suggesting a change in the fibre's electrical charge. These results demonstrate improved control of PVDF fibre production using a solution tailored for biomaterial purposes.

Graphical abstract

纤维生产可以使用多种技术进行,包括静电纺丝和静电吹丝。这些技术需要严格控制不同的参数,如电压、填料的存在、粘度和气流速率(用于电吹)。在这一过程的最后,可以得到不同形态的纤维。聚1,1-二氟乙烯(PVDF)由于其良好的压电性、生物相容性和热电性等特性,是一种具有优异纤维应用潜力的聚合物。这些特性使PVDF适用于生物医学应用。其他应用包括传统和混合纳米发电机、传感器和潜在的未来绿色能源。为了获得较高的纤维生产率,参数控制必须足以在纺丝过程中获得具有所需特性的纤维。本研究以Ca(NO3)2·4H2O和磷酸三乙酯(TEP)为前驱体,在聚合物溶液中制备羟基磷灰石(HAp),以提高PVDF纤维的产量并改变其形态。采用x射线衍射、傅里叶变换红外光谱、拉曼光谱、扫描电镜、透射电镜力学拉伸试验、粘度分析等分析技术,观察HAp前驱体溶液对纤维最终性能的影响。添加5%和10%的乙醇(EtOH)溶液,纤维直径从0.2µm(不含前体)增加到1.1µm(5%的前体)和1.6µm(10%的前体)。此外,纤维在收集器上的分布变得更加均匀,这表明纤维的电荷发生了变化。这些结果表明,使用为生物材料目的量身定制的解决方案可以改善PVDF纤维生产的控制。图形抽象
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引用次数: 0
Cysteamine-functionalized reduced graphene oxide aerogel with anchored silver nanoparticles for enhanced electrochemical carbon dioxide reduction in aqueous solutions 半胱氨酸功能化还原氧化石墨烯气凝胶与锚定的纳米银增强电化学二氧化碳还原在水溶液中
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-16 DOI: 10.1186/s40712-025-00347-z
Hamed Negahbanfard, Hamid R. Zare, Nasim Hassani, Hossein Khoshro, Ali Benvidi

The electrochemical reduction of carbon dioxide (CO₂R) into value-added products represents a promising approach for mitigating greenhouse gas emissions. However, the substantial overpotential required for CO₂ reduction constrains its practical applications. In this study, we present a novel catalyst comprising silver nanoparticles (AgNPs) anchored on cysteamine-functionalized reduced graphene oxide aerogel (rGOA/AgNPs) to enhance CO₂R in aqueous solutions. Cysteamine acts as a pivotal linker, covalently attaching AgNPs to rGOA through its thiol group, thereby improving catalyst stability and facilitating the formation of the *COOH intermediate, as corroborated by density functional theory (DFT) calculations. The high surface area of rGOA (51.43 m2 g⁻1) and its mesoporous structure significantly enhance CO₂ adsorption, while cysteamine fortifies the chemisorption of intermediates. These findings elucidate the synergistic effect of cysteamine-anchored AgNPs and rGOA, establishing an efficient electrocatalyst for sustainable CO₂ conversion. Cyclic voltammetry demonstrates that rGOA/AgNPs can reduce CO₂ to CO at -0.43 V (pH 7) and -1.29 V (pH 3) relative to Ag/AgCl/KCl(sat'd). In contrast, CO₂ reduction is not observed on the surfaces of Ag, AgNPs, or rGO electrodes within the tested potential range. Furthermore, calculations suggest a two-electron transfer process (n = 2), indicating a high selectivity for CO production.

Graphical Abstract

电化学将二氧化碳(CO₂R)还原为增值产品是减少温室气体排放的一种有前途的方法。然而,减少CO₂所需的大量过电位限制了其实际应用。在这项研究中,我们提出了一种新型催化剂,该催化剂由银纳米颗粒(AgNPs)锚定在半胱氨酸功能化还原氧化石墨烯气凝胶(rGOA/AgNPs)上,以增强水溶液中的CO₂R。通过密度泛函理论(DFT)计算证实,半胱胺作为关键的连接剂,通过其巯基将AgNPs共价连接到rGOA上,从而提高催化剂的稳定性,促进*COOH中间体的形成。rGOA的高表面积(51.43 m2 g - 1)和介孔结构显著增强了CO₂的吸附,而半胱胺则加强了中间产物的化学吸附。这些发现阐明了半胱氨酸锚定AgNPs和rGOA的协同作用,建立了一种高效的可持续CO₂转化电催化剂。循环伏安法表明,相对于Ag/AgCl/KCl, rGOA/AgNPs在-0.43 V (pH 7)和-1.29 V (pH 3)下可将CO₂还原为CO。相比之下,在测试电位范围内,Ag、AgNPs或rGO电极表面未观察到CO₂还原。此外,计算表明了一个双电子转移过程(n = 2),表明CO生产的高选择性。图形抽象
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引用次数: 0
Modeling the mechanical behavior of Al 7010/SiC nanocomposites using artificial neural networks 用人工神经网络模拟Al 7010/SiC纳米复合材料的力学行为
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-16 DOI: 10.1186/s40712-025-00342-4
Nilesh H. Khandare, Ganesh Devidas Shrigandhi, Deepak Madhukar Deshmukh, S. Vishwanatha, Santosh R. Shekokar, K. Rajesh, Mangesh Y. Dakhole, K. Hemanth, C. Durga Prasad, Nimona Hailu

In this study, the wear properties of three different composite formulations (T1, T2, and T3), which are highly important for aeronautical applications, are examined. The structural approach from Taguchi (L27 experimental design) is employed. To analyze the critical performance parameters, cf, such as specific wear rate (SWR) and frictional force (Ff), the Taguchi Signal-to-noise ratio approach is used. The input variables compound, applied load, rotating Speed, and sliding distance reveal significant correlations between the observed results. The optimal parameter combination of 5% composition, 15 N applied force, 160 rpm rotating Speed, and 41 M Sliding distance Showed subtle interactions that enhanced the wear resistance of the composite materials. The application of ANN-based predictions in this Study achieved an impressive accuracy of 99.72% in correlating predicted results with actual testing outcomes. This achievement facilitates the swift refinement of composite materials to meet the demanding standards of aerospace applications. This research plays a significant role in improving wear analysis and prediction methods while also fostering the development of specialized composites that offer enhanced reliability, performance, and durability for aeronautical purposes.

在这项研究中,研究了三种不同的复合材料配方(T1, T2和T3)的磨损性能,这对航空应用非常重要。采用Taguchi (L27实验设计)的结构方法。为了分析关键性能参数cf,如比磨损率(SWR)和摩擦力(Ff),使用了田口信噪比方法。输入变量复合,施加载荷,转速和滑动距离显示了观察结果之间的显著相关性。5%的成分、15 N的作用力、160 rpm的转速和41 M的滑动距离的最佳参数组合显示出微妙的相互作用,增强了复合材料的耐磨性。在本研究中,基于人工神经网络的预测在预测结果与实际测试结果的相关性方面取得了令人印象深刻的99.72%的准确性。这一成就促进了复合材料的快速改进,以满足航空航天应用的苛刻标准。这项研究在改进磨损分析和预测方法方面发挥着重要作用,同时也促进了为航空用途提供更高可靠性、性能和耐用性的特种复合材料的发展。
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引用次数: 0
Comparative evaluation of anticancer efficacy and molecular mechanism of silver nanoparticles synthesized from methanolic and ethanolic extracts of Citrus medica 柑桔醇提物与醇提物合成纳米银的抗癌效果及分子机制比较研究
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-15 DOI: 10.1186/s40712-025-00285-w
Ejaj Ahmad, Mohammad Sajid, Alina Athar, Arun Kumar, Nimisha Nimisha, Abhay Kumar Sharma, Mohammad Z. Ahmed, Ali Saeed Alqahtani, Mausumi Bharadwaj, Sundeep Singh Saluja

The development of biosynthesized and cost-efficient nanomedicine is a promising strategy in cancer therapeutics. Herein, we have synthesized highly potent silver nanoparticles (AgNPs) using methanolic and ethanolic extracts of Citrus medica fruit, unraveling the significance of different solvents. Fourier transform infrared spectroscopy confirmed the occurrence of secondary metabolites on the synthesized AgNPs’ surface. The Zetasizer analysis showed no significant particle-size differences between both solvents-based-synthesized AgNPs; however, zeta potential showed significant differences in the particle surface charge. The high-resolution transmission electron microscopy confirmed a predominantly spherical morphology of AgNPs. Notably, AgNPs synthesized from ethanolic extracts exhibited smaller sizes (5–7 nm) and a more uniform distribution compared to their methanolic counterparts. The X-ray diffraction demonstrated a polycrystalline nature with a face-centered cubic structure. Functional assays showed a significant increase in the anticancer efficacy of ethanolic extract-derived AgNPs against the breast cancer cells (MCF-7 and MDA-MB-231), accompanied by extensive DNA fragmentation and enhanced induction of apoptosis. Mechanistically, both methanolic and ethanolic AgNPs induce upregulation of pro-apoptotic gene expression (e.g., TP53, BAX, and CYCS) and downregulation of anti-apoptotic gene (e.g., BCL2). The flow cytometry analysis showed a substantial increase of the ethanolic extract-based AgNPs in the late-stage apoptotic cells, which was further confirmed by morphological changes in treated MCF-7 cells. This study reveals the pivotal influence of the selection of solvent on the synthesis and anticancer potency of AgNPs, significantly impacting their ability to induce apoptosis in MCF-7 cells. Our findings introduce a novel strategy for optimizing green-synthesized AgNPs-based therapies, offering promising avenues for advancing nanoparticle-driven cancer treatments and potentially transforming future therapeutic approaches in oncology.

Graphical Abstract

Schematic representation of AgNPs synthesized from methanolic or ethanolic extract of Citrus medica fruit and evaluations of their anticancer efficacy against MCF-7 cell lines.

开发生物合成的、具有成本效益的纳米药物是一种很有前途的癌症治疗策略。在此,我们利用柑橘果实的甲醇和乙醇提取物合成了高效的银纳米粒子(AgNPs),揭示了不同溶剂的重要性。傅里叶变换红外光谱证实了合成的AgNPs表面存在次生代谢物。Zetasizer分析显示,两种溶剂基合成AgNPs的粒径没有显著差异;然而,zeta电位在粒子表面电荷上表现出显著差异。高分辨率透射电子显微镜证实了AgNPs的主要球形形态。值得注意的是,与甲醇提取物相比,乙醇提取物合成的AgNPs具有更小的尺寸(5-7 nm)和更均匀的分布。x射线衍射结果显示其为多晶性质,具有面心立方结构。功能分析显示,乙醇提取物衍生的AgNPs对乳腺癌细胞(MCF-7和MDA-MB-231)的抗癌功效显著增加,同时DNA断裂广泛,细胞凋亡诱导增强。机制上,甲醇和乙醇AgNPs均可诱导促凋亡基因(如TP53、BAX和CYCS)表达上调和抗凋亡基因(如BCL2)表达下调。流式细胞术分析显示,乙醇提取物为基础的AgNPs在晚期凋亡细胞中显著增加,这进一步证实了处理后MCF-7细胞的形态学变化。本研究揭示了溶剂的选择对AgNPs的合成和抗癌能力的关键影响,显著影响其诱导MCF-7细胞凋亡的能力。我们的研究结果介绍了一种优化绿色合成agnps疗法的新策略,为推进纳米颗粒驱动的癌症治疗提供了有希望的途径,并有可能改变未来的肿瘤学治疗方法。摘要柑橘果实甲醇和乙醇提取物合成AgNPs的示意图及其对MCF-7细胞系的抗癌作用评价。
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引用次数: 0
H2 adsorption over GeO2 monolayer: a theoretical study GeO2单层吸附H2的理论研究
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-15 DOI: 10.1186/s40712-025-00335-3
Jabed Aktar Khan, Sulagna Ghosh, Dirtha Sanyal

The non-magnetic semiconducting GeO2 monolayer is a potential candidate for gas sensing and hydrogen storage applications due to its large surface-to-volume ratio compared to the bulk materials and changing band gap for the adsorption of hydrogen molecules. In this work, the interaction of hydrogen molecule (H2) with GeO2 monolayer has been investigated using van der Waals density functional theory (vdW-DFT); the adsorption and surface diffusion energies of H2 molecule have been calculated at different adsorption positions on the GeO2 monolayer by applying revPBE-vdW functional. It has also been found that repulsion between two nearby H2 molecules limits, how many H2 molecules can fit inside one-unit cell of GeO2 monolayer. The time evolution of the surface coverage, the number of adsorptions, diffusions, and desorption have been calculated by the Kinetic Monte Carlo (KMC) simulation code. To clarify the nature of the adsorption behaviour, Bader charge analysis, electron localization function (ELF), density of states (DOS) and band structure properties have been scrutinized.

非磁性半导体GeO2单层材料由于其与块状材料相比具有较大的表面体积比,并且可以改变吸附氢分子的带隙,因此是气体传感和储氢应用的潜在候选者。本文利用范德华密度泛函理论(vdW-DFT)研究了氢分子(H2)与GeO2单层的相互作用;利用revPBE-vdW泛函计算了H2分子在GeO2单层上不同吸附位置的吸附能和表面扩散能。研究还发现,两个相邻H2分子之间的斥力限制了一个GeO2单层细胞内可以容纳多少H2分子。利用动力学蒙特卡罗(KMC)模拟程序计算了表面覆盖度、吸附、扩散和解吸次数的时间演变。为了阐明吸附行为的性质,研究了贝德电荷分析、电子局域函数(ELF)、态密度(DOS)和能带结构性质。
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引用次数: 0
Performance evaluation of Al₂O₃-based castor oil nanofluid in MQL-assisted turning of AISI 316L stainless steel Al₂O₃基蓖麻油纳米流体在aisi316l不锈钢mql辅助车削中的性能评价
IF 2 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-09-30 DOI: 10.1186/s40712-025-00341-5
Mithun Dhaval Shah, Abhay Utpat

This study presents a comprehensive evaluation of sustainable turning of AISI 316L stainless steel using Minimum Quantity Lubrication (MQL) with an eco-friendly castor oil-based nanofluid containing 0.5 wt% Al₂O₃ nanoparticles with an average size of 30 nm. The effects of cutting speed (164–370 m/min), depth of cut (0.25–0.75 mm), and lubrication method (dry, conventional soluble oil, and nanofluid) on surface roughness were analyzed using a Taguchi L9 orthogonal array. The optimal parameters 370 m/min speed, 0.5 mm depth, and nanofluid achieved a minimum surface roughness (Ra) of 0.532 µm. ANOVA revealed coolant type as the most influential factor, contributing 60.57% to surface quality variance. Novelty lies in the integration of a biodegradable Al₂O₃-castor oil nanofluid with finite element modelling and its application to AISI 316L, a widely used biomedical alloy. DEFORM-3D simulations validated experimental trends, with predicted cutting forces and tool-chip interface temperatures deviating by less than 8% from measured values, confirming strong correlation. This dual approach underscores the nanofluid’s superior tribological performance and affirms its role as a green alternative for high-precision, low-carbon machining aligned with Industry 4.0 goals.

这项研究提出了一项综合评估,使用含有0.5 wt% Al₂O₃纳米颗粒(平均尺寸为30 nm)的环保蓖麻油基纳米流体,使用最小量润滑(MQL)对AISI 316L不锈钢进行可持续转向。采用田口L9正交试验分析了切削速度(164 ~ 370 m/min)、切削深度(0.25 ~ 0.75 mm)和润滑方式(干油、常规可溶油和纳米流体)对表面粗糙度的影响。在速度为370 m/min、深度为0.5 mm、纳米流体的条件下,表面粗糙度(Ra)最小为0.532µm。方差分析显示,冷却剂类型是影响表面质量变异的最大因素,对表面质量变异的贡献率为60.57%。新颖之处在于将可生物降解的Al₂O₃-蓖麻油纳米流体与有限元建模相结合,并将其应用于广泛使用的生物医学合金AISI 316L。DEFORM-3D模拟验证了实验趋势,预测的切削力和刀具切屑界面温度与实测值偏差小于8%,证实了很强的相关性。这种双重方法强调了纳米流体优越的摩擦学性能,并肯定了其作为符合工业4.0目标的高精度、低碳加工的绿色替代品的作用。
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International Journal of Mechanical and Materials Engineering
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