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Optimization on microchannel structures made of typical materials based on machine learning 基于机器学习的典型材料微通道结构优化
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-21 DOI: 10.1007/s42114-024-01002-5
Chenyang Yu, Ming Yang, Jun Yao, Saad Melhi, Mustafa Elashiry, Salah M. El-Bahy, Sicong Tan, Zhigang Li, Shien Huang, Ergude Bao, Hang Zhang

With the trend toward miniaturization of functional devices, material preparation and thermal management processes are also limited to small spaces. Microchannels have emerged as an optimal solution for these challenges. Microchannel-based reactors can generate hybrid materials, and the integration of microchannel heat sinks and substrates can control the temperature of high-power devices. The microstructure within microchannels significantly influences fluid flow and heat transfer, impacting the efficiency of both reaction and heat dissipation processes. Pin-fins are widely used microstructures due to their ability to increase heat transfer area and enhance fluid mixing. In order to find the optimal structure of the fins, it is essential to explore a vast parameter space. In this paper, artificial neural network and genetic algorithm are combined to optimize the copper irregular pin–fin microchannels. Initially, a large number of numerical simulations are performed, focusing on adjustable parameters such as fin radii in various directions, while monitoring the heating surface temperature and the pressure drop of the fin section. Then, nearly 2000 sets of accumulated data are used to train the neural network, establishing the relationship between structural and performance parameters. Finally, a genetic algorithm is employed for multi-objective optimization, yielding a Pareto front. The findings reveal that the newly obtained optimized microchannels exhibit superior thermal–hydraulic performance compared to traditional microchannels. The mechanism of heat transfer enhancement in the optimized microchannel has been revealed: the arrangement of asymmetric fins allows for more thorough contact between the fluid and the fins. Based on this rule, the newly designed multi-fin microchannels exhibit better performance under both fixed heat flux and fixed temperature conditions. In addition, doping high thermal conductivity materials into the substrate to form composite materials can significantly improve the heat transfer performance of microchannels, and using materials with different doping ratios in different parts of the microchannel can effectively improve the temperature uniformity of the heating surface. Thus, uniform-temperature microchannels are designed by combining metal materials (such as copper and aluminum) with non-metal materials (like diamond and graphite).

Graphical Abstract

随着功能器件的微型化趋势,材料制备和热管理过程也被限制在狭小的空间内。微通道已成为应对这些挑战的最佳解决方案。基于微通道的反应器可以生成混合材料,而微通道散热器和基板的集成则可以控制大功率器件的温度。微通道内的微结构对流体流动和传热有很大影响,从而影响反应和散热过程的效率。针状鳍片能够增加传热面积并加强流体混合,因此是广泛使用的微结构。为了找到最佳的翅片结构,必须探索广阔的参数空间。本文将人工神经网络和遗传算法相结合,对铜质不规则针形鳍片微通道进行优化。首先,进行了大量的数值模拟,重点关注不同方向的鳍片半径等可调参数,同时监测鳍片部分的加热表面温度和压降。然后,利用近 2000 组累积数据训练神经网络,建立结构参数和性能参数之间的关系。最后,采用遗传算法进行多目标优化,得出帕累托前沿。研究结果表明,与传统微通道相比,新优化的微通道具有更优越的热-水性能。优化微通道的传热增强机制已经揭示:不对称鳍片的排列使流体与鳍片之间的接触更加彻底。根据这一规律,新设计的多鳍片微通道在固定热通量和固定温度条件下都表现出更好的性能。此外,在基底中掺入高导热材料形成复合材料,可以显著提高微通道的传热性能,在微通道的不同部位使用不同掺杂比的材料,可以有效改善加热表面的温度均匀性。因此,通过将金属材料(如铜和铝)与非金属材料(如金刚石和石墨)相结合,可以设计出温度均匀的微通道。
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引用次数: 0
Sustainable poly(lactic acid) transformation: Leveraging agri-food waste—compatibilization strategies nexus for enhanced properties 可持续聚乳酸转化:利用农业食品废弃物--复合策略的关系增强性能
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-21 DOI: 10.1007/s42114-024-00983-7
Jayven Chee Chuan Yeo, Joseph Kinyanjui Muiruri, Poh Shiun Kenny Lee, Raveenkumar Vijayakumar, Ting Ting Lin, Xikui Zhang, Warintorn Thitsartarn, Nikos Hadjichristidis, Chaobin He, Zibiao Li

The paper comprehensively reviews the upcycling and utilization of agri-food loss and wastes (FLWs) in poly(lactic acid) (PLA)-based biocomposites from the perspective of material circularity. The massive volume of unwanted and unvalued FLWs contributed from fruit producers (durian husk, pineapple leaf, orange peel, and apple), post-consumer products (spent coffee ground, sugarcane bagasse, coconut husk, crustacean shells), and agricultural sectors (rick husk, rice straw, wheat straw, and corn stover) is generally discarded and incinerated. Notably, these FLWs can be collected and upcycled into valuable products depending on the final application, endowing them with a meaningful second life. This upcycling approach promotes environment-friendliness and reduces the product’s carbon footprint. However, gaps and challenges in creating high-performance biocomposites remain critical to a translatable product. To address that, this review comprehensively discussed the recent progress and strategies to enhance the compatibility of PLA and the various FLW biocomposites, such as improved processability, well-balanced properties, heat resistance, and increased interfacial adhesion. The overall mechanical, thermal, processability, and biodegradability performances are further examined and elaborated. Furthermore, the current and prospective applications, such as packaging, automotive, construction, and 3D printing of FLWs/PLA products, are discussed. Finally, the prospects and opportunities of these FLWs/PLA biocomposites are shared to give a view into the future.

Graphical Abstract

本文从材料循环的角度,全面评述了聚乳酸(PLA)生物复合材料中农业食品损耗和废弃物(FLWs)的升级再循环和利用。水果生产商(榴莲壳、菠萝叶、橘子皮和苹果)、消费后产品(废咖啡粉、甘蔗渣、椰子壳、甲壳类动物壳)和农业部门(稻壳、稻草、小麦秸秆和玉米秸秆)产生的大量无用和无价值的 FLWs 通常被丢弃和焚烧。值得注意的是,这些 FLW 可以被收集起来,并根据最终用途循环再造为有价值的产品,赋予它们有意义的第二次生命。这种升级再造方法促进了环境友好,减少了产品的碳足迹。然而,在创造高性能生物复合材料方面仍然存在差距和挑战,这对可转化产品至关重要。针对这一问题,本综述全面讨论了增强聚乳酸和各种 FLW 生物复合材料兼容性的最新进展和策略,如改善加工性、平衡性能、耐热性和增加界面粘附性。此外,还进一步研究和阐述了整体机械性能、热性能、加工性能和生物降解性能。此外,还讨论了 FLWs/PLA 产品当前和未来的应用领域,如包装、汽车、建筑和 3D 打印。最后,分享了这些 FLWs/PLA 生物复合材料的前景和机遇,以展望未来。
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引用次数: 0
One-pot synthesis of rationally-designed flexible, robust, and hydrophobic ambient-dried molecularly-bridged silica aerogels with efficient and versatile oil/water separation applications 一锅合成合理设计的柔性、坚固和疏水的常温干燥分子桥接二氧化硅气凝胶,具有高效和多功能的油/水分离应用
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-21 DOI: 10.1007/s42114-024-00969-5
Zeineb Ben Rejeb, Abdelnasser Abidli, Aniss Zaoui, Maryam Fashandi, Ayyoub Selka, Hani E. Naguib, Chul B. Park

The implementation of silica aerogels (SAs) in numerous applications remains limited due to their costly fabrication process and poor mechanical properties. In order to address these issues, herein, we report the rational design and synthesis of twistable, stretchable, compressible, and highly hydrophobic bridged SAs (BSAs) through an environmentally friendly one-pot process and cost-effective ambient pressure drying. The green thiol-ene reaction was employed to synthesize bis-silane precursors using different linkers. These molecular spacers influenced the sol–gel process and the resulting BSAs’ physicochemical, morphological, and surface properties, including ultra-low density, high porosity, and large specific surface area. Therefore, comprehensive analyses were conducted to better understand their structure-properties relationship. Owing to the flexible molecular bridges and abundant methyl groups introduced in the silica network, BSAs are mechanically resilient and can withstand 200 cyclic fatigue tests at a compressive strain of 80% without fracture. BSAs also exhibited excellent stretchability, achieving up to 47% elongation at break. Ascribed to the hydrophobic bridges’ segments and methyl groups, BSAs are superoleophilic and highly hydrophobic (water contact angle: up to 146.5°). Squeezable and shapable BSAs provided outstanding oil sorption and (continuous) oil/water separation performances, including fast sorption rate, large capacity, ultrahigh flux, and efficient demulsification. BSAs’ robustness, evidenced by their remarkable recyclability and stability under simulated harsh conditions, demonstrates great potential for large-scale oil spill cleanup operations.

• Novel, flexible, and hydrophobic molecularly-bridged silica aerogels were prepared via an eco-friendly one-pot approach.

• Tailorable properties are induced by a rational design of the structure and molecularly-bridged network.

• Great potential for large-scale and practical oil sorption and oil/water separation applications.

• Insights into structure-properties-performance relationships are discussed and illustrated.

由于二氧化硅气凝胶(SAs)的制造工艺成本高昂且机械性能较差,因此其在众多领域的应用仍然受到限制。为了解决这些问题,我们在本文中报告了通过环境友好型一锅工艺和经济高效的常压干燥,合理设计和合成可扭曲、可拉伸、可压缩且高度疏水的桥接二氧化硅气凝胶(BSAs)的情况。利用绿色的硫醇-烯反应,使用不同的连接剂合成双硅烷前体。这些分子间隔物影响了溶胶-凝胶过程以及所得到的双硅烷的物理化学、形态和表面特性,包括超低密度、高孔隙率和大比表面积。因此,为了更好地了解它们的结构-性能关系,我们进行了综合分析。由于在二氧化硅网络中引入了柔性分子桥和丰富的甲基,BSA 具有良好的机械弹性,可承受 200 次压缩应变为 80% 的循环疲劳试验而不会断裂。BSA 还具有出色的拉伸性,断裂伸长率高达 47%。由于具有疏水桥段和甲基,BSA 具有超亲水性和高度疏水性(水接触角高达 146.5°)。可挤压成型的 BSA 具有出色的油吸附和(连续)油/水分离性能,包括快速吸附率、大容量、超高通量和高效破乳。通过环保的一锅法制备了新型、柔性和疏水性的分子桥接二氧化硅气凝胶--通过对结构和分子桥接网络的合理设计诱导了可定制的特性--在大规模和实用的石油吸附和油/水分离应用方面具有巨大潜力--讨论并说明了对结构-性能关系的见解。
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引用次数: 0
Liquid crystalline elastomers as artificial muscles and flexible actuators for robotics/hybrid engineered machinery 液晶弹性体作为机器人/混合工程机械的人造肌肉和柔性致动器
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-18 DOI: 10.1007/s42114-024-00988-2
Joshua Ince, Krishnamurthy Prasad, Karamat Subhani, Alan Duffy, Nisa Salim

Reducing the weight and profile of machinery and robotics is currently a prime challenge for materials scientists and engineers alike. Solving this challenge could lead to an improvement in space travel feasibility, manufacturing capability, and the birth of new medical interventions and technologies altogether. LCEs are currently considered to hold good potential as artificial muscles due to their unique molecular structure. With the recent boom in materials science and the emergence of advanced fabrication techniques, LCE-based artificial muscles/flexible actuators are at the cusp of commercialization. LCEs can now be fabricated into several different forms (films, fibers, and 3D printed arbitrary shapes). Furthermore, LCE artificial muscles fabricated using these advanced techniques can also be functionalized so that they can controllably be triggered into actuating via stimuli such as light or electrical currents. This has led to reports of several LCE-based artificial muscles which boast impressive performance as artificial muscles. For example, recently certain Joule heating LCE fibers can directly be stimulated into actuation via the application of electrical currents and can actuate on sub-second time frames and outperform human skeletal muscles in terms of actuation stress. Given this, whilst currently there are no commercial applications of LCEs as artificial muscles in robotics, we believe that LCEs are poised to soon be directly applicable as artificial muscles in the broader field of robotics, which inspired us to author this review. This review presents an overview of the mechanisms, synthetic methods, and alignment methods for LCEs. In addition, we provide the latest achievements in fabrication techniques and means of inducing/controlling the actuation of LCEs. We do so in the aspiration that this review can bridge the gap that exists between academia and industry on the topic of LCEs.

Graphical abstract

Illustration of LCEs acting as artificial muscles in robotics.

减轻机械和机器人的重量和外形是材料科学家和工程师目前面临的首要挑战。解决这一难题可以提高太空旅行的可行性和制造能力,并催生新的医疗干预措施和技术。LCE 因其独特的分子结构,目前被认为具有作为人造肌肉的良好潜力。随着近年来材料科学的蓬勃发展和先进制造技术的出现,基于 LCE 的人造肌肉/柔性致动器正处于商业化的风口浪尖。现在,LCE 可以制成多种不同的形状(薄膜、纤维和 3D 打印的任意形状)。此外,利用这些先进技术制造的 LCE 人工肌肉还可以进行功能化处理,使其可以通过光或电流等刺激进行可控触发。因此,一些基于 LCE 的人造肌肉的报道令人印象深刻。例如,最近某些焦耳加热 LCE 纤维可直接通过电流刺激启动,并能在亚秒级时间内启动,在启动压力方面优于人类骨骼肌。有鉴于此,虽然目前还没有将 LCE 作为人工肌肉应用于机器人领域的商业应用,但我们相信 LCE 将很快作为人工肌肉直接应用于更广泛的机器人领域,这也是我们撰写本综述的灵感来源。本综述概述了 LCE 的机制、合成方法和配准方法。此外,我们还介绍了 LCE 的制造技术和诱导/控制驱动手段方面的最新成果。我们这样做的目的是希望这篇综述能够弥补学术界和工业界在 LCE 这一主题上存在的差距。
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引用次数: 0
Multifunctional CuS/GO heterodimensional structure for microwave absorption, electromagnetic interference shielding, and energy storage device 用于微波吸收、电磁干扰屏蔽和储能装置的多功能 CuS/GO 异维结构
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-18 DOI: 10.1007/s42114-024-01007-0
Wen-Qiang Cao, Zhan-Zhan Wang, Xiao Wan, Ting-Ting Liu, Chuan-Bao Cao, Mao-Sheng Cao

The rapid development of information technology and the continuous advancement of industrialization have made the problems of electromagnetic (EM) pollution and energy shortage more and more prominent, which have become major challenges that need to be solved worldwide. Developing multifunctional EM materials has become a key solution for addressing these issues, advancing sustainable development, and establishing effective environmental protection systems. Herein, we prepare CuS/GO heterodimensional structures with both EM protection and electrochemical energy storage functions. Benefiting from the synergistic effects of the components and structure, the CuS/GO heterodimensional structure exhibits outstanding performance in microwave attenuation and sodium storage applications. The CuS/GO composite with a loading concentration of 55 wt.% achieves highly efficient EM wave absorption of − 62.56 dB, while the 75 wt.% composite demonstrates electromagnetic interference (EMI) shielding performance of more than 50 dB. In addition, in sodium-ion battery applications, the CuS/GO heterodimensional structure maintains a high reversible capacity of 377 mAh·g−1 after 700 cycles. Importantly, based on this, an integrated multifunctional EM wave recovery device has been developed that can effectively convert harmful EM energy into electrical energy and store it. This provides a groundbreaking innovative strategy for the design of multifunctional devices in the fields of EM pollution control and energy applications.

Graphical abstract

随着信息技术的飞速发展和工业化进程的不断推进,电磁污染和能源短缺问题日益突出,已成为全球亟待解决的重大挑战。开发多功能电磁材料已成为解决这些问题、推动可持续发展和建立有效环保体系的关键方案。在此,我们制备了兼具电磁保护和电化学储能功能的 CuS/GO 异维结构。得益于各组分和结构的协同效应,CuS/GO 异维结构在微波衰减和钠存储应用中表现出卓越的性能。负载浓度为 55 wt.% 的 CuS/GO 复合材料可实现 - 62.56 dB 的高效电磁波吸收,而负载浓度为 75 wt.% 的复合材料则具有 50 dB 以上的电磁干扰(EMI)屏蔽性能。此外,在钠离子电池应用中,CuS/GO 异维结构在 700 次循环后仍能保持 377 mAh-g-1 的高可逆容量。重要的是,在此基础上,我们开发出了一种集成式多功能电磁波回收装置,可有效地将有害电磁能转化为电能并加以储存。这为电磁污染控制和能源应用领域的多功能装置设计提供了突破性的创新策略。
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引用次数: 0
Novel ternary nanocomposites as a powerful catalyst for high-performance all-solid-state asymmetric supercapacitors 新型三元纳米复合材料作为高性能全固态不对称超级电容器的强力催化剂
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-17 DOI: 10.1007/s42114-024-00993-5
Rozhin Darabi, Najmeh Zare, Hassan Karimi-Maleh, Fatemeh Karimi

Supercapacitors are a fundamental technology in electrical energy storage because of their high performance and cycling. In this study, using a conductive type of nanocomposites, we tested electrode designs in the application of supercapacitors, obtaining valuable results in energy capacity and power density. MnO2-Fe2O3/N-doped graphene nanoribbons (MFNGN) were prepared by an efficient multistep approach. The synthesized result demonstrated that the large surface area of the nanocomposite causes faster transfer of ions and electrons and increases the internal electronic fields with interconnecting nanoscale pore channels for ion transport to adjust the electronic structures. High surface area-to-volume ratio also provides numerous active sites for electrochemical reactions. Consequently, surface area makes available active sites for electron transfer process and also improved the electrochemical performance of the electrodes by improving the electron transfer rate charge transfer capacity. The results demonstrated good cycling stability, with 87.56% of the initial capacity retained after 10,000 cycles at 5.0 A·g−1. Furthermore, a hybrid supercapacitor that uses the MFNGN as a positive electrode and active carbon (AC) as a negative electrode was created. This combination resulted in an asymmetric supercapacitor (ASC) that exhibited exceptional performance. Specifically, it achieved a remarkable specific capacitance of 770.0 F·g−1 when subjected to a current density of 1.0.

超级电容器因其高性能和循环性而成为电能存储的基础技术。在本研究中,我们利用导电型纳米复合材料测试了超级电容器应用中的电极设计,在能量容量和功率密度方面取得了宝贵的成果。我们采用高效的多步法制备了 MnO2-Fe2O3/N 掺杂石墨烯纳米带(MFNGN)。合成结果表明,纳米复合材料的大表面积加快了离子和电子的传输速度,并通过相互连接的纳米级孔隙通道增加了内部电子场,从而促进离子传输,调整电子结构。高表面积与体积比也为电化学反应提供了大量的活性位点。因此,表面积为电子转移过程提供了活性位点,并通过提高电子转移率电荷转移容量改善了电极的电化学性能。研究结果表明,这种电极具有良好的循环稳定性,在 5.0 A-g-1 的条件下循环 10,000 次后,初始容量仍能保持 87.56%。此外,还创造出了一种以 MFNGN 为正极、活性碳(AC)为负极的混合超级电容器。这种组合产生了一种非对称超级电容器(ASC),表现出卓越的性能。具体来说,当电流密度为 1.0 时,它的比电容高达 770.0 F-g-1。
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引用次数: 0
Flexible multicolor-emitting lanthanide-alginate hybrid fibers with multi-stimuli responsiveness for anti-counterfeiting 用于防伪的具有多刺激响应能力的柔性多色发光镧-铝酸盐混合纤维
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-17 DOI: 10.1007/s42114-024-01005-2
Hongze Ma, Zhengyang Shi, Honghong Yang, Wei Yuan, Gemeng Liang, Jinshuo Zou, Cheng Qian, Zhaocun Shen, Kunyan Sui

Information leakage and counterfeiting are critical global issues threatening human security and social stability. Advanced flexible anti-counterfeiting technologies are urgently needed, as flexible wearables are becoming more and more significant. In this study, we report a straightforward and efficient wet spinning technique to prepare lanthanide-alginate hybrid fibers with multicolor-emitting capabilities for flexible anti-counterfeiting. Lanthanide ions are able to coordinate with sodium alginate to endow the hybrid fibers with good molding properties, thermal stability, and homogenicity. These hybrid fibers can emit red, orange, and green fluorescence depending on the ratios of doped lanthanide elements under 254 nm UV light. The fluorescence lifetime of these hybrid fibers is longer than that of commonly used organic dyes. Notably, their fluorescence can be quenched in acidic environments or by Fe3+ ions, which is ascribed to the weakened coordination strength between 2,2′-bipyridine with the lanthanide elements. More importantly, the hybrid fibers can be woven into various flexible anti-counterfeiting patterns. Our study demonstrates the significant flexible anti-counterfeiting potential of lanthanide-doped fibers due to their low cost, ease of fabrication, and flexibility.

Graphical Abstract

The multicolor-emitting lanthanide-alginate hybrid fibers with multi-stimuli responsiveness are produced through a simple wet spinning process and can be woven into various patterns for flexible anti-counterfeiting.

信息泄露和假冒伪劣是威胁人类安全和社会稳定的重大全球性问题。随着柔性可穿戴设备越来越重要,迫切需要先进的柔性防伪技术。在本研究中,我们报告了一种简单高效的湿法纺丝技术,用于制备具有多色发光功能的镧系元素-精氨酸杂化纤维,以实现柔性防伪。镧系离子能够与海藻酸钠配位,使混合纤维具有良好的成型性能、热稳定性和均匀性。根据掺杂镧系元素的比例,这些混合纤维可在 254 纳米紫外线下发出红色、橙色和绿色荧光。这些杂化纤维的荧光寿命比常用的有机染料更长。值得注意的是,它们的荧光在酸性环境中或被 Fe3+ 离子淬灭,这归因于 2,2′-联吡啶与镧系元素之间的配位强度减弱。更重要的是,杂化纤维可以编织成各种柔性防伪图案。我们的研究表明,掺杂镧系元素的纤维具有成本低、易于制造和柔性好等特点,具有显著的柔性防伪潜力。 图文摘要 通过简单的湿法纺丝工艺制备出了具有多刺激响应性的多色发光镧系元素-精氨酸杂化纤维,并可编织成各种图案用于柔性防伪。
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引用次数: 0
Computational fluid-particle dynamic model guiding bioengineered magnetic nanomedicine for personalized brain-targeted drug delivery 计算流体-颗粒动力学模型指导生物工程磁性纳米药物的个性化脑靶向给药
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-17 DOI: 10.1007/s42114-024-01013-2
Nguyen Nguyen, Muzhaozi Yuan, Hanwen Hu, Zhifeng Xiao, Tianzhu Fan, Tian-Hao Yan, Ying Li, Hong‐Cai Zhou, Jean-Philippe Pellois, Ya Wang

Neurodegenerative diseases pose significant challenges to global healthcare, exacerbated by complexities of the central nervous system and blood–brain barrier. While FDA-approved magnetic nanocarriers offer promising solutions for targeted drug delivery, inherent challenges in predicting delivery performance still hinder clinical practice. Existing brain vasculature transport models often lack accuracy in the 3D construction of the brain vasculature network and physiology of blood circulation, limiting progress in targeted drug delivery. This paper introduced the Circle of Willis’s novel computational fluid dynamics framework to address these challenges. Utilizing patient-specific vascular geometries and incorporating complexities of blood circulation, hemodynamics, and the rheology for non-Newtonian fluid effect, our approach provides unprecedented insights into drug carrier dynamics in the mouse brain vasculature. Furthermore, we performed a comparative study simulating the dynamic transport using three types of magnetic nanocarriers—gold-coated superparamagnetic iron oxide (Au-SPIO), hollow-gold nano-shell enclosed superparamagnetic iron oxide (HGNS-SPIO), and metal–organic frameworks loaded with iron oxide (MOF-Fe3O4)—to predict their transport in adult mice’s brain under magnetic targeting. The simulation was validated by in vivo results by comparing the bioavailability of nanoparticles in different brain regions. Under a non-magnetic field, simulations revealed a capture efficiency of around 10.5% for all three types of nanoparticles, with size-dependent patterns favoring smaller sizes. With the presence of a magnetic field, MOF-Fe3O4 demonstrated the highest capture efficiency with “single magnet” at 11.19%, while Au-SPIO in “linear Halbach array” and MOF-Fe3O4 in “circular Halbach array” layouts reached 10.9%. Finally, we demonstrated high biocompatibility for all three nanocarriers, with no toxicity for Au-SPIO and MOF-Fe3O4 at 40 µg/mL and for HGNS-SPIO at 20 µg/mL. Effective cell uptake was also observed for all three nanocarriers. This comprehensive study addresses critical knowledge gaps, providing insights into the dynamics of magnetic nanocarrier transport within the brain and paving the way for highly effective, personalized therapies for neurological disorders.

中枢神经系统和血脑屏障的复杂性加剧了神经退行性疾病对全球医疗保健的巨大挑战。虽然美国食品和药物管理局(FDA)批准的磁性纳米载体为靶向给药提供了前景广阔的解决方案,但在预测给药性能方面固有的挑战仍然阻碍着临床实践。现有的脑血管传输模型在脑血管网络的三维构建和血液循环生理方面往往缺乏准确性,从而限制了靶向给药的进展。本文介绍了威利斯圈的新型计算流体动力学框架,以应对这些挑战。我们的方法利用患者特定的血管几何形状,并结合了复杂的血液循环、血液动力学和非牛顿流体流变学效应,为药物载体在小鼠脑血管中的动力学提供了前所未有的见解。此外,我们还利用三种磁性纳米载体--金包覆超顺磁性氧化铁(Au-SPIO)、空心金纳米壳封闭超顺磁性氧化铁(HGNS-SPIO)和负载氧化铁的金属有机框架(MOF-Fe3O4)--进行了动态转运模拟比较研究,以预测它们在磁性靶向作用下在成年小鼠大脑中的转运情况。通过比较纳米粒子在不同脑区的生物利用率,模拟结果得到了体内结果的验证。在非磁场条件下,模拟结果显示所有三种类型的纳米粒子的捕获效率都在10.5%左右,捕获效率的大小与纳米粒子的尺寸有关,尺寸越小捕获效率越高。在有磁场的情况下,MOF-Fe3O4 在 "单磁体 "下的捕获效率最高,达到 11.19%,而 "线性哈尔巴赫阵列 "中的 Au-SPIO 和 "圆形哈尔巴赫阵列 "中的 MOF-Fe3O4 则达到 10.9%。最后,我们证明了所有三种纳米载体都具有很高的生物相容性,40 µg/mL 的 Au-SPIO 和 MOF-Fe3O4 以及 20 µg/mL 的 HGNS-SPIO 均无毒性。此外,所有三种纳米载体都能被细胞有效吸收。这项全面的研究填补了关键的知识空白,为磁性纳米载体在大脑内的动态传输提供了见解,并为神经系统疾病的高效、个性化疗法铺平了道路。
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引用次数: 0
Three-dimensional MgO filler networking composites with significantly enhanced thermal conductivity 热导率显著增强的三维氧化镁填料网络复合材料
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-15 DOI: 10.1007/s42114-024-01004-3
Hyun-Ae Cha, Su-Jin Ha, Min-Gi Jo, Young Kook Moon, Jong-Jin Choi, Byung-Dong Hahn, Cheol-Woo Ahn, Do Kyung Kim

Recent considerable research efforts have been directed toward optimizing ceramic/polymer composite materials at the design stage, with a focus on enhancing thermal conduction pathways through distinct structures. This study introduces a simple process of adopting the template method followed by sintering to create a lightweight, self-supporting MgO framework with smooth-surfaced, highly thermally conductive MgO spheres. The segregated structure of inorganic ceramic particles significantly reduces thermal resistance and increases the thermal conduction path. Consequently, these composites exhibit notably higher thermal conductivity (6.61 W/mK) at a filler loading of 51.94 vol% compared to those with randomly dispersed particles. Additionally, 20.27 vol% 3D-MgO/epoxy composites with a thermal conductivity of 2.71 W/mK display a relatively low dielectric constant (3.78 at 1 kHz), only slightly higher than pure epoxy (3.39 at 1 kHz) with a thermal conductivity of 0.19 W/mK. This low dielectric constant is advantageous for electronic and electrical engineering applications. The study proposes an effective strategy for using MgO as an alternative to Al2O3 fillers in high-power-density electronic devices, making 3D-MgO/epoxy composites a promising next-generation thermally dissipating material for electronic devices.

最近,大量的研究工作致力于在设计阶段优化陶瓷/聚合物复合材料,重点是通过不同的结构增强热传导途径。本研究介绍了一种简单的工艺,即采用模板法,然后进行烧结,制造出一种轻质、自支撑的氧化镁框架,其中包含表面光滑的高导热氧化镁球。无机陶瓷颗粒的分离结构大大降低了热阻,增加了热传导路径。因此,与随机分散颗粒的复合材料相比,这些复合材料的热导率(6.61 W/mK)在填料含量为 51.94 Vol%时明显更高。此外,热导率为 2.71 W/mK 的 20.27 Vol% 3D-MgO/epoxy 复合材料显示出相对较低的介电常数(1 kHz 时为 3.78),仅略高于热导率为 0.19 W/mK 的纯环氧(1 kHz 时为 3.39)。这种低介电常数有利于电子和电气工程应用。该研究提出了在高功率密度电子设备中使用氧化镁替代 Al2O3 填料的有效策略,使 3D-MgO/epoxy 复合材料成为一种很有前途的下一代电子设备散热材料。
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引用次数: 0
Triple S-scheme BiOBr@LaNiO3/CuBi2O4/Bi2WO6 heterojunction with plasmonic Bi-induced stability: deviation from quadruple S-scheme and mechanistic investigation 具有等离子铋诱导稳定性的三S型BiOBr@LaNiO3/CuBi2O4/Bi2WO6异质结:偏离四S型和机理研究
IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-10-15 DOI: 10.1007/s42114-024-01014-1
Mope Edwin Malefane, Joyce Tsepiso Khutlane, Muthumuni Managa, Cornelia Gertina Catharina Elizabeth van Sittert, Thabo Thokozani Innocent Nkambule, Alex Tawanda Kuvarega

The investigation and understanding of heterointerfaces formation and charge transfer dynamics in two or more semiconductor heterojunctions increased ensuing establishment of S-scheme and dual S-scheme heterojunctions. However, investigations of possible charge transfer at interfaces and their type in four component systems are limited. Herein, a four-component heterojunction was investigated to postulate and demonstrate deviation between quadruple and triple S-scheme heterojunctions possibilities using LaNiO3, BiOBr, CuBi2O4, and Bi2WO6. DFT and XPS were used to construct the band structure and support the charge transfer at the interfaces to follow S-S strategy during OTC and SMX degradation under visible light. IEF, bend bending systematically modulated charge transfer, and the core-shell strategy restricted possible junctions’ formation to three to accord triple S-scheme heterojunction. This work demonstrated the construction of Triple S-scheme heterostructures as a promising strategy for efficient charge separation making it a suitable candidate for elimination of pollutants.

随着 S 型和双 S 型异质结的建立,对两个或更多半导体异质结中异质界面的形成和电荷转移动力学的研究和了解日益增多。然而,对四组份系统中可能的界面电荷转移及其类型的研究还很有限。本文使用 LaNiO3、BiOBr、CuBi2O4 和 Bi2WO6 研究了一种四组份异质结,以推测和证明四重和三重 S 型异质结之间的偏差。利用 DFT 和 XPS 构建了带状结构,并支持在可见光下 OTC 和 SMX 降解过程中,界面上的电荷转移遵循 S-S 策略。IEF、弯曲系统地调节了电荷转移,核壳策略将可能形成的结限制为三个,从而形成了三S型异质结。这项研究表明,构建三重 S 型异质结构是一种很有前途的高效电荷分离策略,是消除污染物的理想选择。
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引用次数: 0
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