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Direct ink writing 3D printing of polydimethylsiloxane-based soft and composite materials: a mini review 基于聚二甲基硅氧烷的软质和复合材料的直接墨水书写3D打印:综述
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-10-07 DOI: 10.1093/oxfmat/itac008
Y. Li, Bo Li
Polydimethylsiloxane (PDMS) has been widely used in flexible electronics, biomedical tissue/organ devices, and soft robots. With the rapid advances in three-dimensional (3D) printing technologies, there has been considerable interest in using PDMS to create 3D, high-resolution, and multifunctional structures/devices. Among different 3D printing technologies, direct ink writing (DIW), where PDMS-based ink or gel is extruded from a moving nozzle, has demonstrated advantages of low cost, simplicity, and ability to combine different materials in a single processing step. Here, we provide a critical perspective on the advances and potential of DIW technology for PDMS-based materials. We will summarize the key factors and innovation in the DIW processes. Furthermore, we will also show state-of-the-art structures and applications of DIW printed PDMS-based materials. Finally, we hope to point out specific challenges, areas for further development, and provide guidelines to those interested in PDMS-based DIW.
聚二甲基硅氧烷(PDMS)已广泛应用于柔性电子、生物医学组织/器官装置和软体机器人等领域。随着三维(3D)打印技术的快速发展,人们对使用PDMS创建3D,高分辨率和多功能结构/设备产生了相当大的兴趣。在不同的3D打印技术中,直接墨水书写(DIW),其中基于pdms的墨水或凝胶从移动喷嘴中挤出,已经证明了低成本,简单,以及在单个加工步骤中组合不同材料的能力的优势。在这里,我们对基于pdm的材料的DIW技术的进步和潜力提供了一个关键的观点。我们将总结DIW过程中的关键因素和创新。此外,我们还将展示DIW印刷pdm基材料的最新结构和应用。最后,我们希望指出具体的挑战和进一步发展的领域,并为那些对基于pdms的DIW感兴趣的人提供指导方针。
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引用次数: 4
An anisotropic negative thermal expansion metamaterial with sign-toggling and sign-programmable Poisson’s ratio 具有符号可切换和符号可编程泊松比的各向异性负热膨胀材料
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-09-28 DOI: 10.1093/oxfmat/itac007
T. Lim
A mechanical metamaterial is introduced herein by drawing inspiration from an Aztec geometric pattern. This metamaterial deformation mechanism for Poisson’s ratio and Young’s modulus is based on non-rotating rhombi with rotating triangles, and while the shear modulus analysis herein is based on rotating rhombi with non-rotating triangles, hence “partially rotating rigid units”. The coefficient of thermal expansion was obtained by equating the potential energy expressions from the simple harmonic motion and from the principle of energy equipartition, while the effective Young’s modulus was acquired by equating the strain energy from rotational stiffness with that from the strain energy of deformation from an assumed homogenised continuum. Due to the zero and extreme Poisson’s ratio based on infinitesimal deformation, the finite approach was employed. Results indicate that the proposed metamaterial exhibits anisotropic negative thermal expansion with sign-switching Poisson’s ratio when applied stress along one axis is reversed. The Poisson’s ratio for loading in another axis is undefined under tension but can be programmed to exhibit either sign when compressed. The Young’s modulus is directly governed by the rotational stiffness and strongly influenced by the extent of rotation, followed by the aspect ratio of the rotating units. Due to its uniqueness, the currently considered mechanical metamaterial can be used under specific requirements which are difficult to be attained by other materials with negative properties.
本文通过从阿兹特克几何图案中汲取灵感,介绍了一种机械超材料。泊松比和杨氏模量的超材料变形机制是基于带旋转三角形的不旋转菱形,而剪切模量分析是基于带不旋转三角形的旋转菱形,因此是“部分旋转刚性单元”。热膨胀系数由简谐运动的势能表达式和能量均分原理等效得到,有效杨氏模量由旋转刚度的应变能与假设均质连续体的变形应变能等效得到。由于基于无穷小变形的泊松比为零和极值,采用了有限方法。结果表明,当外加应力沿一个轴方向反向时,所制备的超材料表现为负热膨胀,且泊松比呈符号切换。在另一个轴上加载的泊松比在张力下是未定义的,但在压缩时可以编程为显示任一符号。杨氏模量直接由旋转刚度决定,并受旋转程度的强烈影响,其次是旋转单元的长径比。由于其独特性,目前认为的机械超材料可以在特定的要求下使用,这是其他具有负性能的材料难以达到的。
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引用次数: 3
Materials, Electrodes, and Electrolytes Advances for Next Generation Lithium-based Anode-Free Batteries 下一代锂基无阳极电池的材料、电极和电解质进展
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-06-30 DOI: 10.1093/oxfmat/itac005
Shubhadeep Pal, Xiaozhe Zhang, B. Babu, Xiaodong Lin, Jiande Wang, A. Vlad
The high volumetric stack energy density (∼ 750Wh L−1) is a must for grasping the practical application of electric vehicles with more than 100 km per day driving range. Such achievement requires significant advances in state-of-the-art battery technologies. The anode-free, derived from the metal-battery concept, germinates as one of the future potential battery configurations due to the highest, nearly theoretical gravimetric and volumetric energy density. Thus, moving from the graphite-based anode, where lithium is stored as ions, to anode-free cells, wherein lithium is plated as metal, can change the scenario of the electrochemical energy storing devices both in terms of energy density and fundamental mechanism. Although an anode-free battery theoretically provides higher stack energy density than a Li-ion battery, current developments are still underoptimized as these can barely hold for several cycles at room temperature due to the absence of an active lithium reservoir and still severe losses at the anode side. Hence electrolyte engineering with suitable electrode material choice is highly desirable and extremely challenging in realizing next-generation anode-free batteries. Herein, we summarize the current developments and achievements in the direction of anode-free batteries. Central emphasis is set on electrolyte chemistries that should on one hand allow for high-efficiency initial nucleation, followed by subsequent electrodeposition and electrodissolution of lithium metal, while also forming stable anodic interphases with the high energy cathode materials currently in use. We also prospect for better batteries with higher energy density beyond the present status.
高体积电堆能量密度(~750Wh L−1)是掌握100以上电动汽车实际应用的必要条件 每天行驶里程公里。这样的成就需要在最先进的电池技术方面取得重大进展。源自金属电池概念的无阳极电池,由于其接近理论的最高重量和体积能量密度,成为未来潜在的电池配置之一。因此,从以离子形式储存锂的石墨基阳极转移到以金属形式镀锂的无阳极电池,可以在能量密度和基本机制方面改变电化学储能装置的情况。尽管无阳极电池理论上提供了比锂离子电池更高的堆叠能量密度,但目前的发展仍然没有得到充分优化,因为由于缺乏活性锂储层,并且在阳极侧仍然存在严重损失,这些电池在室温下几乎无法维持数个循环。因此,在实现下一代无阳极电池方面,具有适当电极材料选择的电解质工程是非常理想的,并且极具挑战性。在此,我们总结了无阳极电池的发展现状和成就。重点放在电解质化学上,一方面应允许高效的初始成核,随后进行锂金属的电沉积和电溶解,同时与目前使用的高能阴极材料形成稳定的阳极界面。我们还展望了在目前的状态之外,具有更高能量密度的更好的电池。
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引用次数: 3
Understanding the Mechanics of complex topology of the 3D printed Anthill architecture 了解3D打印蚁丘结构的复杂拓扑结构
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-05-11 DOI: 10.1093/oxfmat/itac003
B. Kushwaha, Avinash Kumar, Rushikesh S. Ambekar, V. Arya, Solomon Demiss Negedu, Deep Bakshi, E. Olu, R. S. Ayyagari, Varinder Pal, K. K. Sadasivuni, N. Pugno, Chirodeep Bakli, C. Tiwary
The present work aimed to investigate the deformation behavior of complex ant mound architectures under compression. We have used the cement casting method to extract four different ant nest morphologies. These casted cement structures were digitalized using a 3D micro-computer tomography (CT) scan. The digitized structures were simulated under different loading conditions using Finite Element Methods (FEM). In order to supplement the numerical understanding, the digital architectures were 3D printed and experimentally tested under uniaxial loading conditions. Ants produce a variety of complex architectures for adapting to the surrounding environment and ants’ needs. Ant mound consists of at least one pillar with a broad base tapered towards its tip. Anthill architectures have unique topological features. Mechanical strength of ant mould can be 600 times enhanced by tuning topology. Thickness and angle of pillars have huge effect on load-bearing property The branched structures can endure larger stress and deform in the process under a volumetric pressure application, making them sacrificial units for extreme disasters like floods and earthquakes. The 3D printing experiments and Finite Element Methods simulations are needed to tackle the complex ant mound architectures and appear in good agreement, suggesting a robust design and thus the possibility of constructing anthill-inspired civil buildings with a tree-trunk-like geometry.
本文旨在研究复杂蚁丘结构在压缩作用下的变形行为。我们使用水泥浇铸法提取了四种不同的蚁巢形态。这些浇铸水泥结构使用三维微计算机断层扫描(CT)进行数字化。采用有限元方法对数字化结构进行了不同载荷条件下的数值模拟。为了补充数值理解,对数字结构进行了3D打印,并在单轴载荷条件下进行了实验测试。蚂蚁为了适应周围环境和蚂蚁的需要,产生了各种复杂的结构。蚁丘由至少一根柱子组成,其底部宽阔,向其尖端逐渐变细。蚁丘建筑具有独特的拓扑特征。通过调整拓扑结构,可使蚁模的机械强度提高600倍。柱的厚度和角度对承重性能影响巨大,分支结构在体压作用下承受较大的应力和变形,是洪水、地震等极端灾害的牺牲单元。需要3D打印实验和有限元方法模拟来解决复杂的蚁丘结构,并出现良好的协议,这表明一个稳健的设计,从而有可能建造具有树干状几何形状的蚁丘启发的民用建筑。
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引用次数: 4
A Review of Ultrawide Bandgap Materials: Properties, Synthesis, and Devices 超宽带隙材料的性能、合成及器件研究进展
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-05-05 DOI: 10.1093/oxfmat/itac004
Mingfei Xu, Dawei Wang, K. Fu, D. Mudiyanselage, H. Fu, Yuji Zhao
Ultrawide bandgap (UWBG) materials such as diamond, Ga2O3, h-BN, and AlN, are a new class of semiconductors that possess a wide range of attractive properties, including very large bandgap, high critical electric field, high carrier mobility, and chemical inertness. Due to these outstanding characteristics, UWBG materials are promising candidates to enable high-performance devices for power electronics, ultraviolet (UV) photonics, quantum sensing, and quantum computing applications. Despite their great potential, the research of UWBG semiconductors is still at a nascent stage and represents a challenging interdisciplinary research area of physics, materials science, and devices engineering. In this review, the material properties, synthesis methods, and device applications of UWBG semiconductors diamond, Ga2O3, h-BN, and AlN will be presented, and their recent progress, challenges, and research opportunities will be discussed.
超宽带隙(UWBG)材料,如金刚石、Ga2O3、h-BN和AlN,是一类新型半导体,具有广泛的吸引力,包括非常大的带隙、高临界电场、高载流子迁移率和化学惰性。由于这些突出的特性,UWBG材料是实现电力电子、紫外(UV)光子学、量子传感和量子计算应用的高性能器件的有希望的候选者。尽管UWBG半导体具有巨大的潜力,但其研究仍处于起步阶段,是物理学、材料科学和器件工程的一个具有挑战性的跨学科研究领域。本文综述了超宽带带半导体金刚石、Ga2O3、h-BN和AlN的材料特性、合成方法和器件应用,并讨论了它们的最新进展、面临的挑战和研究机遇。
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引用次数: 8
Designing of small organic non-fullerene(NFAs) acceptor molecules with an A−D−A Framework for high performance organic solar cells: A DFT and TD-DFT method 高性能有机太阳能电池用A -D - A框架小有机非富勒烯受体分子的设计:DFT和TD-DFT方法
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-04-21 DOI: 10.1093/oxfmat/itac002
Surendra Babu Numbury
The main objective of this research was to design non-fullerene acceptors A-D-A framework, using carbazole and benzothiazole derivatives. Density functional theory (DFT) was used to calculate the geometry optimized structures and electronic properties at B3LYP functional with a 6-311G basis set in the gas and solvent phase.The frontier molecular orbital’s (FMO), bandgap, Open-circuit voltage (VOC) and dipole moments of these developed acceptors have been calculated. The theoretical UV absorption spectrawere calculated from Time-Dependent Density Functional Theory (TD-DFT) with the same level of theory used DFT method.They show a suitable bandgap (2.24–2.93 eV) and dipole moment (1.8–10.8 Debye). The maximum wavelength (λmax) for all studied molecules in the range is 665.17–679.97 in both gas and solvent. A slight redshift was observed in all acceptors selected for chlorobenzene compared to gas phase absorption.The non-fullerene acceptor A11 has the lowest bandgap energy (2.24 eV), gas-phase excitation energy (1.86 eV), and chlorobenzene excitation energy (1.86 eV) (1.86 eV). As a result, A11 is predicted to be a good contender for organic non-fullerene acceptors in the future. The open-circuit voltage (Voc) values range from 1.53 to 2.56 eV. Consequently, the optoelectronic, molecular orbital distribution, and A11 and A12 molecules were suitable acceptors for non-fullerene acceptors.
本研究的主要目的是使用咔唑和苯并噻唑衍生物设计非富勒烯受体A-D-A框架。利用密度泛函理论(DFT)计算了B3LYP泛函在气相和溶剂相中的几何优化结构和电子性质,该泛函具有6-311G的基组。计算了这些受体的前沿分子轨道(FMO)、带隙、开路电压(VOC)和偶极矩。理论紫外吸收光谱由时间相关密度泛函理论(TD-DFT)计算,理论水平与DFT方法相同。它们显示出合适的带隙(2.24–2.93 eV)和偶极矩(1.8–10.8 Debye)。在气体和溶剂中,该范围内所有研究分子的最大波长(λmax)为665.17–679.97。与气相吸收相比,在为氯苯选择的所有受体中都观察到轻微的红移。非富勒烯受体A11具有最低的带隙能量(2.24 eV),气相激发能(1.86 eV)和氯苯激发能(1.86 eV)(1.86 eV)。因此,A11被预测为未来有机非富勒烯受体的有力竞争者。开路电压(Voc)值范围从1.53到2.56 因此,光电子、分子轨道分布以及A11和A12分子是非富勒烯受体的合适受体。
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引用次数: 1
In-plane and vertical heterostructures from 1T’/2H transition-metal dichalcogenides 1T’/2H过渡金属二硫族化合物的平面和垂直异质结构
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-03 DOI: 10.1093/oxfmat/itab016
Yang Ma, Shiyu Xu, Juntian Wei, Bin Zhou, Y. Gong
An avalanche of research has been carried out on two-dimensional (2D) transition metal dichalcogenides (TMDs) due to their potential applications in advanced electronics and flexible devices. To take full use of the emerging 2D TMDs materials, their in-plane/vertical heterostructures have been explored, enabling effective tuning of their physical and chemical properties. However, structural differences between the various phases impede the formation of functional heterostructures. Therefore, robust synthesis strategies for heterostructures with different phases have been explored in this study. A chemical vapor deposition process has been proposed in which the key parameters like reaction sources, deposition sites, etc. have been carefully adjusted, trying to achieve simultaneous synthesis of 1T’/2H in-plane and vertical heterostructures. Consequently, 2D in-plane RexMo1-xS2/MoS2 and vertical ReS2/MoS2 heterostructures have been produced in different regions at the same time. Atomic-resolution Z-contrast images reveal the detailed atomic structure of the 1T’/2H interfaces. The lateral interface is found to contain Mo atoms with only 5-fold coordination with S due to the phase mismatch. This work demonstrates a route to exploit heterostructures of different phases and opens the possibility to build more complicated 2D heterostructures using CVD.
二维(2D)过渡金属二硫族化物(TMDs)由于其在先进电子和柔性器件中的潜在应用而引起了大量的研究。为了充分利用新兴的二维tmd材料,对其面内/垂直异质结构进行了探索,从而有效地调整了其物理和化学性质。然而,不同相之间的结构差异阻碍了功能异质结构的形成。因此,本研究探索了不同相异质结构的稳健合成策略。提出了一种化学气相沉积工艺,对反应源、沉积位置等关键参数进行了精心调整,试图同时合成1T′/2H平面内和垂直异质结构。因此,二维平面内RexMo1-xS2/MoS2和垂直ReS2/MoS2异质结构在不同区域同时形成。原子分辨率的z对比图像揭示了1T′/2H界面的详细原子结构。发现横向界面中含有Mo原子,由于相位失配,与S的配位仅为5倍。这项工作展示了利用不同相异质结构的途径,并打开了利用CVD构建更复杂的二维异质结构的可能性。
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引用次数: 0
Generating 3D architectured nature-inspired materials and granular media using diffusion models based on language cues. 使用基于语言线索的扩散模型生成3D建筑自然灵感材料和颗粒介质。
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1093/oxfmat/itac010
Markus J Buehler

A variety of image generation methods have emerged in recent years, notably DALL-E 2, Imagen and Stable Diffusion. While they have been shown to be capable of producing photorealistic images from text prompts facilitated by generative diffusion models conditioned on language input, their capacity for materials design has not yet been explored. Here, we use a trained Stable Diffusion model and consider it as an experimental system, examining its capacity to generate novel material designs especially in the context of 3D material architectures. We demonstrate that this approach offers a paradigm to generate diverse material patterns and designs, using human-readable language as input, allowing us to explore a vast nature-inspired design portfolio for both novel architectured materials and granular media. We present a series of methods to translate 2D representations into 3D data, including movements through noise spaces via mixtures of text prompts, and image conditioning. We create physical samples using additive manufacturing and assess material properties of materials designed via a coarse-grained particle simulation approach. We present case studies using images as starting point for material generation; exemplified in two applications. First, a design for which we use Haeckel's classic lithographic print of a diatom, which we amalgamate with a spider web. Second, a design that is based on the image of a flame, amalgamating it with a hybrid of a spider web and wood structures. These design approaches result in complex materials forming solids or granular liquid-like media that can ultimately be tuned to meet target demands.

近年来出现了多种图像生成方法,主要有dall - e2、Imagen和Stable Diffusion。虽然它们已经被证明能够通过语言输入的生成扩散模型,从文本提示中产生逼真的图像,但它们的材料设计能力尚未被探索。在这里,我们使用一个经过训练的稳定扩散模型,并将其视为一个实验系统,检查其生成新材料设计的能力,特别是在3D材料架构的背景下。我们证明,这种方法提供了一种范式来生成不同的材料模式和设计,使用人类可读的语言作为输入,使我们能够为新颖的建筑材料和颗粒介质探索巨大的自然灵感设计组合。我们提出了一系列将2D表示转换为3D数据的方法,包括通过混合文本提示和图像调节在噪声空间中的移动。我们使用增材制造创建物理样品,并通过粗粒度颗粒模拟方法评估材料的材料性能。我们介绍了使用图像作为材料生成起点的案例研究;在两个应用程序中举例说明。首先,我们使用海克尔经典的硅藻平版印刷设计,我们将其与蜘蛛网混合在一起。第二,一个基于火焰形象的设计,将其与蜘蛛网和木结构的混合融合在一起。这些设计方法导致复杂的材料形成固体或颗粒状液体状介质,最终可以调整以满足目标需求。
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引用次数: 4
Thin film growth of MAX phases as functional materials MAX相作为功能材料的薄膜生长
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2021-12-24 DOI: 10.1093/oxfmat/itab020
Abhijit Biswas, Varun Natu, Anand B. Puthirath
Layered nanolaminate ternary carbides, nitrides and carbonitrides with general formula Mn+1 AXn or MAX (n = 1, 2, or 3, M is an early transition metal, A is mostly group 13 or 14 element, and X is C and/or N) has revolutionized the world of nanomaterials, due to the coexistence of both ceramic and metallic nature, giving rise to exceptional mechanical, thermal, electrical, chemical properties and wide range of applications. Although several solid-state bulk synthesis methods have been developed to produce a variety of MAX phases, however, for certain applications, the growth of MAX phases, especially in its high-quality epitaxial thin films form is of increasing interest. Here, we summarize the progress made thus far in epitaxial growth and property evaluation of MAX phase thin films grown by various deposition techniques. We also address the important future research directions to be made in terms of thin-film growth. Overall, in the future, high-quality single-phase epitaxial thin film growth and engineering of chemically diverse MAX phases may open up interesting new avenues for next-generation technology.
具有通式Mn+1AXn或MAX(n = 1、2或3,M是早期过渡金属,A主要是第13或14族元素,X是C和/或N)由于陶瓷和金属性质的共存,使纳米材料的世界发生了革命性的变化,产生了优异的机械、热、电、化学性能和广泛的应用。尽管已经开发了几种固态体相合成方法来生产各种MAX相,然而,对于某些应用,MAX相的生长,特别是其高质量外延薄膜形式的生长越来越令人感兴趣。在此,我们总结了迄今为止通过各种沉积技术生长的MAX相薄膜的外延生长和性能评估方面的进展。我们还讨论了薄膜生长方面未来的重要研究方向。总的来说,在未来,高质量的单相外延薄膜生长和化学多样的MAX相的工程可能会为下一代技术开辟有趣的新途径。
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引用次数: 3
Ultrathin Metal-Organic Framework Nanosheets and Devices 超薄金属有机框架纳米片及器件
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2021-12-24 DOI: 10.1093/oxfmat/itab019
A. Meiyazhagan
A few recent findings on ultrathin two-dimensional (2D) metal-organic frameworks (MOFs) were discussed in this spotlight review. MOFs are a class of materials with intriguing properties for possible applications in several fields ranging from catalysis to sensors and functional devices. To date, several synthesis strategies have been explored to derive crystalline 2D MOF structures. However, most synthetic strategies to obtain such materials remain underexplored. This highlighted review evaluated select synthesis strategies focused on deriving micron-sized 2D MOF crystals, emphasizing their rich chemistries. More importantly, the possibility of integrating the synthesized ultrathin 2D crystalline MOFs into the functional device and their electrical conductivity measurements are reviewed. Overall, this review provides the most recent outcomes in the ultrathin 2D MOF community and its influence on electronic devices.
本综述讨论了超薄二维(2D)金属有机框架(MOFs)的一些最新发现。MOFs是一类具有有趣性质的材料,可能应用于从催化到传感器和功能器件的多个领域。到目前为止,已经探索了几种合成策略来获得结晶的2D MOF结构。然而,获得这种材料的大多数合成策略仍然没有得到充分的探索。这篇重点综述评估了专注于衍生微米大小的2D MOF晶体的选择性合成策略,强调了它们丰富的化学性质。更重要的是,综述了将合成的超薄2D晶体MOFs集成到功能器件中的可能性及其电导率测量。总之,这篇综述提供了超薄2D MOF社区的最新成果及其对电子设备的影响。
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引用次数: 0
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