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Development of multiscale analysis method for predicting thermo-mechanical properties of polymeric nanocomposites containing clustered nanoparticles 多尺度分析方法在含簇纳米颗粒聚合物纳米复合材料热机械性能预测中的应用
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-04-12 DOI: 10.1088/2631-6331/accc6b
Jihun Lee, Jae Hun Kim, Haolin Wang, Hyun-ju Shin
Thermo-mechanical properties of polymeric nanocomposites containing clustered nanoparticles are investigated using molecular dynamics (MD) simulation. Comparing between the dispersion and cluster models, it is revealed that the thermo-mechanical properties are decreased due to the clustering phenomenon. For effectively predicting the thermo-mechanical properties of polymeric nanocomposites, a multiscale analysis method is developed by linking the MD simulation and finite element homogenization analysis. Using the multiscale analysis, the elastic and shear moduli, and coefficient of thermal expansion (CTE) of the interphase can be obtained, and it is revealed that the reinforcement effect of the interphase is decreased due to the cluster phenomenon of nanoparticles. In addition, it is showed that this method can be used to accurately predict the elastic and shear moduli, and CTE of polymeric nanocomposites because of the clustering phenomenon.
采用分子动力学(MD)模拟方法研究了含有簇合纳米颗粒的聚合物纳米复合材料的热机械性能。将分散模型和团簇模型进行比较,发现由于团簇现象,热机械性能降低。为了有效地预测聚合物纳米复合材料的热机械性能,将MD模拟和有限元均匀化分析相结合,开发了一种多尺度分析方法。使用多尺度分析,可以获得界面的弹性模量、剪切模量和热膨胀系数(CTE),并表明由于纳米颗粒的团簇现象,界面的增强效果降低。此外,由于聚团现象,该方法可以用于准确预测聚合物纳米复合材料的弹性模量、剪切模量和CTE。
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引用次数: 0
PEG functionalized ZnO nanoparticles by fusion of precipitation-cum-hydrothermal method with enhanced photocatalytic activity 采用沉淀-水热法融合聚乙二醇功能化氧化锌纳米粒子,增强了其光催化活性
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-04-06 DOI: 10.1088/2631-6331/accb39
J. Gaur, M. Pal, Sanjeev Kumar, H. Kaur, Gurmeet Singh Lotey, K. Bala, Supreet, Arshdeep Kaur
In this study, polyethylene glycol (PEG)-aided zinc oxide (ZnO) nanoparticles (NPs) have been synthesized by fusion of precipitation-cum-hydrothermal method. The PEG/ZnO NPs were investigated by x-ray diffraction (XRD), Fourier-transform infrared (FTIR) transformation, UV-visible field emission scanning electron microscope (FESEM), energy dispersive x-ray, high resolution transmission electron microscope (HRTEM), and RAMAN techniques. XRD analysis confirms the formation of the wurtzite phase with a crystallite size of 8 nm of synthesized PEG/ZnO. While FESEM and HRTEM investigations reveal the formation of distinct structural forms, FTIR investigations show interactions between PEG and ZnO. High crystallinity of PEG/ZnO is observed in the selected area electron diffraction pattern. The Brunauer–Emmett–Teller (BET) study revealed that ZnO NPs have a mesoporous structure with a significant specific surface area of 42 m2 g−1. The evaluation of photocatalytic activity of PEG/ZnO-based photocatalyst was carried out via the degradation of typical azo dye (industrial methylene blue (MB) dye) along with total organic carbon (TOC) analysis. The PEG-ZnO (dose 200 mg l−1) was found to be an efficient photocatalyst for the degradation of MB dye. The degradation reaction exhibits pseudo-first-order kinetics. Additionally, TOC removal was monitored, elucidating almost complete mineralization.
本研究采用沉淀-水热法合成了聚乙二醇(PEG)辅助氧化锌(ZnO)纳米颗粒。采用x射线衍射(XRD)、傅里叶变换红外(FTIR)、紫外-可见场发射扫描电镜(FESEM)、能量色散x射线、高分辨率透射电子显微镜(HRTEM)和拉曼等技术对PEG/ZnO纳米粒子进行了研究。XRD分析证实合成的PEG/ZnO形成了纤锌矿相,晶粒尺寸为8 nm。FESEM和HRTEM研究显示了不同结构形式的形成,FTIR研究显示了PEG和ZnO之间的相互作用。在选定区域的电子衍射图中观察到PEG/ZnO的高结晶度。brunauer - emmet - teller (BET)研究表明ZnO NPs具有介孔结构,比表面积为42 m2 g−1。通过对典型偶氮染料(工业亚甲基蓝(MB)染料)的降解和总有机碳(TOC)分析,对PEG/ zno基光催化剂的光催化活性进行了评价。发现PEG-ZnO(剂量为200mg l−1)是一种降解MB染料的有效光催化剂。降解反应表现为准一级动力学。此外,还监测了TOC的去除,表明矿化几乎完全完成。
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引用次数: 0
Production and optimization of the refractory properties of blended Nigerian clay for high-temperature application; a non-stochastic optimization approach 尼日利亚混合高温粘土的生产及耐火性能优化一种非随机优化方法
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-04-03 DOI: 10.1088/2631-6331/acc9fb
Hassan Abubakar Adamu, B. Samuel, Abutu Joseph, Samuel Samuel Okon, Iliyasu Idris Kirim
High-performance materials, systems, and processes have necessitated the exploration of very high-temperature environments. Materials, particularly ceramics, which can withstand these high temperatures, have been extensively studied, even though enough emphasis has not been given to clays sourced locally in Nigeria, where there is an abundance. Also, stochastic optimization techniques has been employed to improve on system or carry out experimentation with minimal spend of resources and very high accuracy. This work extensively explored the refractory properties of blends developed from locally sourced clays (Mayo Ndaga and kachalla Sembe and Kona). The Taguchi optimization technique was employed to determine the effect of various quantities of the clays on the loss on ignition (LOI), refractoriness (RF), and firing shrinkage (FS) of the blends. It was discovered that the optimum (lowest) LOI, highest RF, and lowest FS were 11%, 1333 °C, and 0.48%, respectively. Analysis of variance also proved the significance of Mayo Ndaga on the RF and FS of the blends, with P-values of 0.038 and 0.000 at a 95% confidence level.
高性能材料、系统和工艺要求对非常高温的环境进行探索。能够承受这些高温的材料,特别是陶瓷,已经得到了广泛的研究,尽管尼日利亚当地的粘土资源丰富,但还没有得到足够的重视。此外,随机优化技术已被用于以最小的资源消耗和非常高的精度改进系统或进行实验。这项工作广泛探索了由当地来源的粘土(Mayo Ndaga和kachalla Sembe和Kona)开发的混合物的耐火性能。采用田口优化技术测定了不同数量的粘土对共混物的烧失量(LOI)、耐火度(RF)和烧成收缩率(FS)的影响。研究发现,最佳(最低)LOI、最高RF和最低FS分别为11%、1333°C和0.48%。方差分析还证明了Mayo-Ndaga对混合物的RF和FS的显著性,在95%置信水平下,P值分别为0.038和0.000。
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引用次数: 0
3D printing-based soft auxetic structures using PDMS-Ecoflex Hybrid 使用PDMS Ecoflex Hybrid的基于3D打印的柔软膨胀结构
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-03-02 DOI: 10.1088/2631-6331/acc0cf
Chae-Hwan Kim, Hyun-Young Kim, Jun-Ho Kim, Jaehwan Kim
Auxetic structures with negative Poisson’s ratio have received much attention due to their attractive behavioral properties in next-generation metamaterials and robotic applications. However, until now, there has been a lack of research into using soft materials to reliably develop a largely-deformable auxetic structures. Here, we develop soft polydimethylsiloxane (PDMS)-Ecoflex auxetic structures using a 3D printing technique, leading to high fabrication reliability and repeatability. Water-soluble filaments are employed to design sacrificial mold structures that quickly dissolve in warm water. By measuring the mechanical properties and light transmittance of soft composite membranes with various mixing ratios of PDMS and Ecoflex, the intrinsic characteristics of the composite membranes are determined. The newly fabricated soft auxetic structures composed of PDMS and Ecoflex composites always exhibit negative Poisson’s ratio during stretching. The negative Poisson’s ratio of the structure is maximized when PDMS and Ecoflex have a 2:1 mixing ratio and nominal strain is less than 5%. Advances in technology to reliably fabricate soft auxetic structures using 3D printers are believed to promote next-generation applications such as wearable sensors and energy-absorbing structures.
负泊松比的辅助结构由于其在下一代超材料和机器人应用中具有吸引力的行为特性而受到广泛关注。然而,到目前为止,还缺乏使用软材料可靠地开发出可变形的膨胀结构的研究。在这里,我们使用3D打印技术开发了柔软的聚二甲基硅氧烷(PDMS)-Ecoflex auxetic结构,从而实现了高的制造可靠性和可重复性。水溶性细丝用于设计在温水中快速溶解的牺牲模具结构。通过测量不同PDMS和Ecoflex混合比例的软复合膜的力学性能和透光率,确定了复合膜的固有特性。由PDMS和Ecoflex复合材料组成的新制备的软膨胀结构在拉伸过程中总是表现出负泊松比。当PDMS和Ecoflex的混合比为2:1且标称应变小于5%时,结构的负泊松比最大化。使用3D打印机可靠地制造柔软的膨胀结构的技术进步被认为将促进下一代应用,如可穿戴传感器和能量吸收结构。
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引用次数: 1
A review on mechanical and material characterisation through molecular dynamics using large-scale atomic/molecular massively parallel simulator (LAMMPS) 基于大规模原子/分子大规模并行模拟器(LAMMPS)的分子动力学力学和材料表征综述
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-03-01 DOI: 10.1088/2631-6331/acc3d5
S. Gowthaman
Molecular dynamics (MD) simulation continues to be one of the most advanced tools in a wide range of fields and applications. The motion of atoms or molecules at various temperatures and pressures was analysed and visualised using the MD simulation through large-scale atomic/molecular massively parallel simulator (LAMMPS). This research focuses on a basic introduction to MD, as well as their determination and MD methods. LAMMPS works with a variety of external packages to determine the position of atoms and molecules over time. As the simulation has various procedures such as algorithm to step processing and results, the developers of MD are constantly pushing for the reduction of pre-steps. This classifies the performance competence that should be approached for increased portability of performance on a programmatic level, a key to implementing the solution for various problems that would come from inventors and possibly new research in programming languages.
分子动力学(MD)模拟在广泛的领域和应用中仍然是最先进的工具之一。通过大规模原子/分子大规模并行模拟器(LAMMPS),使用MD模拟对原子或分子在不同温度和压力下的运动进行了分析和可视化。本研究的重点是MD的基本介绍,以及它们的测定和MD方法。LAMMPS与各种外部封装一起工作,以确定原子和分子随时间的位置。由于模拟有各种程序,如算法到步骤的处理和结果,MD的开发人员不断推动减少预步骤。这对性能能力进行了分类,以提高程序级性能的可移植性,这是实现发明者和可能的编程语言新研究提出的各种问题的解决方案的关键。
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引用次数: 4
Tribological properties of hemp fiber reinforced polylactic acid bio-composites: effect of different types of modification methods 麻纤维增强聚乳酸生物复合材料的摩擦学性能:不同改性方法的影响
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-02-27 DOI: 10.1088/2631-6331/acbf9d
Nurhan Çevik Elen, Musa Yıldırım, Y. Kanbur
In this study, green composites are prepared with 30 wt.% hemp fibers reinforced polylactic acid (PLA) to enhance the impact and tribological properties. Different surface treatments of alkali and silane, compatibilizer of maleic anhydride (MA), and blends of thermoplastic polyurethane (TPU) and poly (butylene succinate) were applied to improve interfacial adhesion between fibers and matrix. Hemp-reinforced PLA bio-composites were fabricated and characterized by hardness, impact strength, wear, and friction properties. The tribological tests of the injection-molded components were performed under two different loads (10 N and 20 N) as dry-sliding linearly reciprocating motion per ASTM G133. Modified composites gave better tribological properties than unmodified composites. While no remarkable improvement was observed in the hardness value of untreated fiber-reinforced composite, alkali-treated composite reached up to 43% improvement in hardness value. In general, as the load increased, weight loss increase was observed in all composites. Unmodified bio-composite exhibited a very low weight loss and specific wear rate (SWR) compared to neat PLA under 10 N load. The SWR of the MA bio-composite had the lowest value for both loads (10 N and 20 N) compared to the other bio-samples. The TPU blended bio-composite exhibited the highest impact strength (22.96 kJ m−2) after pure PLA (26.5 kJ m−2). Therefore, due to surface treatments and blends applied to the fibers, some composites’ hardness and wear resistance were increased while the impact strength and friction coefficient was decreased. Especially silane surface treatment and MA compatibilizer application increased the wear resistance of composites. When the scanning electron microscope images were examined, it was revealed that the fiber and matrix interface bonding was good, and the fibers were firmly embedded in the matrix. Furthermore, forming a protective thin film layer formed by the polymer debris from the surface during dry-sliding increased the wear performance of the bio-composites.
在本研究中,用30% wt.%的大麻纤维增强聚乳酸(PLA)制备绿色复合材料,以提高其冲击和摩擦学性能。采用碱和硅烷、马来酸酐(MA)增容剂、热塑性聚氨酯(TPU)和聚丁二酸丁二烯共混物等不同的表面处理方法,改善纤维与基体的界面附着力。制备了大麻增强PLA生物复合材料,并对其硬度、冲击强度、磨损和摩擦性能进行了表征。根据ASTM G133标准,在两种不同的载荷(10牛顿和20牛顿)下进行了注射成型部件的摩擦学测试,作为干滑动线性往复运动。改性复合材料的摩擦学性能优于未改性复合材料。未经处理的纤维增强复合材料硬度值没有明显提高,但碱处理的复合材料硬度值提高了43%。总的来说,随着载荷的增加,所有复合材料的减重都有所增加。与纯PLA相比,未经改性的生物复合材料在10 N载荷下表现出非常低的失重和比磨损率(SWR)。与其他生物样品相比,MA生物复合材料在10 N和20 N负荷下的SWR均最低。TPU共混生物复合材料的冲击强度为22.96 kJ m−2,高于纯PLA (26.5 kJ m−2)。因此,由于对纤维进行表面处理和共混,一些复合材料的硬度和耐磨性有所提高,而冲击强度和摩擦系数有所降低。特别是硅烷表面处理和MA增容剂的应用提高了复合材料的耐磨性。扫描电镜图像显示,纤维与基体界面结合良好,纤维在基体中嵌入牢固。此外,在干滑动过程中,由表面的聚合物碎屑形成的保护薄膜层增加了生物复合材料的磨损性能。
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引用次数: 1
Vibration analysis of sandwich cylindrical shells made of graphene platelet polymer–viscoelastic–ceramic/metal FG layers 石墨烯血小板聚合物-粘弹性-陶瓷/金属FG层夹层圆柱壳的振动分析
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-02-19 DOI: 10.1088/2631-6331/acbd28
Mohammadreza Permoon, T. Farsadi, A. Askarian
In this paper, natural frequencies and loss factors of cylindrical sandwich shells composed of the viscoelastic core layer, surrounded by functionally graded graphene-platelet reinforced polymer composite (FG-GPLRPC) and ceramic/metal (FG-ceramic/metal) are investigated. The viscoelastic layer is modeled via the fourth parameter fractional viscoelastic pattern, and the functionally graded ceramic/metal layer is theoretically modeled using a power-law function. The uniform, symmetric and un-symmetric patterns are considered for simulating the graphene platelet (GPL) nanofillers distributions along with the thickness direction. The classical shell theory is used for functionally graded layers and properties of the effective materials of GPLRPC multilayers are determined by using a modified Halpin–Tsai micromechanics model and the rule of mixture. The governing equations of motion are extracted by applying the Lagrange equation and the Rayleigh-Ritz method. The determinant of the coefficient matrix of the characteristic equation is calculated, and the natural frequencies and loss factors of the system are extracted. A study of the interactions of materials and geometrical factors such as the ratio of radius to length, the properties of functionally graded materials, and GPL weight fractions for patterns of proposed distributions are presented and some conclusions have been formed.
本文研究了由功能梯度石墨烯-血小板增强聚合物复合材料(FG-GPLRPC)和陶瓷/金属(FG-ceramic/metal)包裹的粘弹性核心层组成的圆柱形夹层壳的固有频率和损耗因子。粘弹性层采用四参数分数粘弹性模式建模,功能梯度陶瓷/金属层采用幂律函数理论建模。考虑均匀、对称和非对称三种模式来模拟石墨烯血小板(GPL)纳米填充物沿厚度方向的分布。将经典壳理论应用于功能梯度层,采用改进的Halpin-Tsai细观力学模型和混合规律确定了GPLRPC多层有效材料的性能。应用拉格朗日方程和瑞利-里兹方法提取了运动控制方程。计算了特征方程系数矩阵的行列式,提取了系统的固有频率和损耗因子。研究了材料与几何因素的相互作用,如半径与长度比、功能梯度材料的性质和GPL权重分数对所提出的分布模式的影响,并得出了一些结论。
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引用次数: 0
Bioinspired composites: nature’s guidance for advanced materials future 仿生复合材料:大自然对未来先进材料的指导
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-02-15 DOI: 10.1088/2631-6331/acbc64
Anna Cecília do Nascimento Pereira, Silvia Titotto
Biomimetics enables the use of nature as a source of inspiration for the elaboration of high-performance materials. In this scenario, the development of bioinspired composites emerges as a promising proposal, capable of generating technological innovation in numerous areas of engineering, considering the exceptional mechanical performance of materials of this kind. That said, this review article characterizes the design principles and fundamental parameters for bioinspired composites design. In addition, the main challenges to be overcome in the development of bioinspired materials are discussed, with the presentation of some experimental studies that lead to the practical application of such principles. Future applications for this class of materials are also highlighted.
仿生学可以利用自然作为高性能材料的灵感来源。在这种情况下,生物激发复合材料的发展成为一个有前途的建议,能够在许多工程领域产生技术创新,考虑到这种材料的特殊机械性能。因此,本文综述了仿生复合材料设计的设计原则和基本参数。此外,还讨论了生物激发材料发展中需要克服的主要挑战,并介绍了一些导致这些原理实际应用的实验研究。这类材料的未来应用也被强调。
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引用次数: 1
Buckling behavior of fiber reinforced Innegra sandwich beams incorporating carbon nanofiber 掺入碳纳米纤维的纤维增强Innegra夹层梁的屈曲行为
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-02-02 DOI: 10.1088/2631-6331/acb890
Rezvan Hosseini, M. Y. Tooski, A. R. Khorshidvand, Seyed Mehdi Khorsandijou
This study examined the effect of carbon nanofiber (CNF) on the buckling behavior of sandwich beams under axial compressive load. Three different configurations of sandwich beams consisting of composite skins with different arrangement of layers and polyvinyl chloride (PVC) foam core were considered. Each composite skin is made of four layers reinforced with different materials consisting of Innegra, carbon and Innegra/carbon (hybrid) and epoxy resin modified by CNF. Because of the difference in the thickness of the samples, the specific critical load parameter (the ratio of the critical buckling load to the thickness of the structure) was used to compare the buckling behavior of sandwich beams. The experimental test results indicated that carbon fiber as a stiffening interface in hybrid samples improved the specific critical load compared to Innegra samples. Also, the addition of 0.3 wt%-CNF increases the specific critical load, while the further increase of CNF led to the decrease of the specific critical loads, which is the main cause of weak interfacial stress between CNF and epoxy resin. In addition, the effect of different percentages of CNF and types of fibers on the increase in toughness and damage mechanisms were investigated.
本研究考察了碳纳米纤维(CNF)对夹层梁在轴向压缩载荷下屈曲行为的影响。考虑了由不同层数的复合材料蒙皮和聚氯乙烯(PVC)泡沫芯组成的三种不同结构的夹层梁。每个复合表皮由四层材料制成,用不同的材料增强,包括英尼格拉、碳和英尼格拉/碳(杂化)以及CNF改性的环氧树脂。由于样品厚度的差异,使用特定的临界载荷参数(临界屈曲载荷与结构厚度的比值)来比较夹层梁的屈曲行为。实验测试结果表明,与Innegra样品相比,碳纤维作为混合样品中的加劲界面提高了比临界载荷。此外,0.3wt%-CNF的加入增加了比临界载荷,而CNF的进一步增加导致比临界载荷的降低,这是CNF与环氧树脂之间界面应力较弱的主要原因。此外,还研究了不同比例的CNF和纤维类型对韧性增加的影响以及损伤机制。
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引用次数: 0
Experimental and numerical investigation of the effect of graphene nanoparticles on the strength of sandwich structures under low-velocity impact 石墨烯纳米粒子对低速冲击下夹层结构强度影响的实验和数值研究
IF 2.8 Q2 MATERIALS SCIENCE, COMPOSITES Pub Date : 2023-02-02 DOI: 10.1088/2631-6331/acb88f
M. Tavakol, Mahdi Yarmohammad Tooski, M. Jabbari, M. Javadi
The effect of graphene nanoparticles on the strength of a sandwich panel structure based on foam core, which is inspired by the microstructure characteristics of dragonfly wings, has been investigated experimentally and numerically under low-velocity impact. Sandwich panel structures are made of E-glass/epoxy layers, and different percentages of graphene nanoparticles and combined with their resin. Also, polyurethane foam was used for its central core. For numerical modeling, a nonlinear progressive damage model of composite and nano-composite shells is incorporated into the finite element (FE) code by VUMAT subroutine. The numerical results were compared with the collected experimental data and it shows that there is a good compatibility between them. To check the damage in the structures, the images of the cut view of the samples were taken from the damaged area, and the results were reported. In order to evaluate the distribution of graphene nanoparticles in the polymer structure, the manufactured samples were analyzed using the FE-scanning electron microscopy analysis device. It was concluded that this type of sandwich structure inspired by dragonfly wings can limit damage propagation and keep the rest of the structure healthy under low-velocity impact.
受蜻蜓翅膀微观结构特征的启发,在低速冲击下,通过实验和数值研究了石墨烯纳米颗粒对基于泡沫芯的夹芯板结构强度的影响。夹层板结构由E-玻璃/环氧树脂层和不同百分比的石墨烯纳米颗粒制成,并与树脂结合。此外,聚氨酯泡沫被用作其中心核心。对于数值建模,通过VUMAT子程序将复合材料和纳米复合材料壳体的非线性渐进损伤模型纳入有限元代码中。将数值计算结果与收集到的实验数据进行了比较,表明它们之间具有良好的兼容性。为了检查结构的损坏情况,从损坏区域拍摄了样品的剖视图图像,并报告了结果。为了评估石墨烯纳米颗粒在聚合物结构中的分布,使用FE扫描电子显微镜分析设备对制造的样品进行分析。结果表明,这种受蜻蜓翅膀启发的夹层结构可以限制损伤的传播,并在低速冲击下保持结构的其余部分健康。
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引用次数: 0
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