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Fostering creativity in engineering design through constructive dialogues with generative artificial intelligence 通过与生成式人工智能的建设性对话培养工程设计的创造力
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-16 DOI: 10.1016/j.xcrp.2024.102157
William Solórzano Requejo, Francisco Franco Martínez, Carlos Aguilar Vega, Rodrigo Zapata Martínez, Adrián Martínez Cendrero, Andrés Díaz Lantada

Artificial intelligence (AI) is progressively reshaping the way that researchers design and study highly complex systems. In this perspective, we introduce an engineering design methodology aimed at fostering creativity through “constructive dialogues with a generative AI” and exemplify its potential through a set of methodically developed case studies. This creativity promotion approach starts with computer-aided design (CAD) models of lattices, metamaterials, and architected materials, which are provided as initial inputs to a generative AI through a chat. Then, the conversation starts with researchers asking the generative AI to modify the provided CAD model images by incorporating new elements, placing them in quasi-real-life environments, or adapting the provided designs to the structures of new products. To illustrate the methodology, a varied set of selected case studies of constructive dialogues leading to highly innovative designs are provided, bridging the gap between tissue engineering scaffolds and building architectures, biohybrid materials and product design, and innovative structures and medical devices, to cite a few.

人工智能(AI)正在逐步重塑研究人员设计和研究高度复杂系统的方式。从这一角度出发,我们介绍了一种工程设计方法,旨在通过 "与生成式人工智能进行建设性对话 "来培养创造力,并通过一系列有条不紊的案例研究来展示其潜力。这种促进创造力的方法从网格、超材料和建筑材料的计算机辅助设计(CAD)模型开始,通过聊天将这些模型作为初始输入提供给生成式人工智能。然后,对话开始,研究人员要求生成式人工智能修改所提供的 CAD 模型图像,加入新元素,将其置于准现实环境中,或将所提供的设计调整为新产品的结构。为了说明这种方法,我们提供了一系列精选的案例研究,这些案例研究通过建设性对话实现了高度创新的设计,在组织工程支架和建筑结构、生物混合材料和产品设计以及创新结构和医疗设备之间架起了桥梁。
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引用次数: 0
Failure-detecting techniques for commercial anodes of lithium-ion batteries 锂离子电池商用阳极的故障检测技术
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-15 DOI: 10.1016/j.xcrp.2024.102153
Guoyu Qian, Xinghan Chen, Hai Lin, Luyi Yang

Energy density, power density, and safety of commercial lithium-ion batteries are largely dictated by anodes. Considering the multi-scale nature (10−8–102 cm) as well as the multi-physics properties—including electricity, force, and heat—of lithium-ion batteries, it is imperative to systematically categorize and summarize the failure-detection techniques for anodes in commercial lithium-ion batteries, namely, carbon-based and silicon-based anodes. In this perspective, we categorize the state-of-the-art failure-detection techniques for anodes into four dimensions—bulk of anode particles, interface/interphase of anode particles, electrodes, and batteries—aiming to develop the framework of multi-dimension failure detection. Based on the above four dimensions, this paper elaborates on characterization techniques applicable to different detection scales and the corresponding failure causes. Through examples that integrate multi-physical moduli or multi-dimensional characterization techniques, we further discuss the importance of developing collaborative characterization methods to acquire different physio-chemical information for anodes, providing relevant professionals with effective technical guidance.

商用锂离子电池的能量密度、功率密度和安全性在很大程度上取决于阳极。考虑到锂离子电池的多尺度特性(10-8-102 厘米)和多物理特性(包括电、力和热),有必要对商用锂离子电池阳极(即碳基和硅基阳极)的失效检测技术进行系统分类和总结。从这个角度出发,我们将最先进的阳极失效检测技术分为四个维度--阳极颗粒、阳极颗粒界面/相间、电极和电池,旨在建立多维度失效检测框架。基于上述四个维度,本文阐述了适用于不同检测尺度的表征技术以及相应的失效原因。通过结合多物理模量或多维表征技术的实例,我们进一步探讨了开发协同表征方法以获取阳极不同物理化学信息的重要性,为相关专业人员提供了有效的技术指导。
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引用次数: 0
Life-cycle carbon-intensity mapping for hydrogen-driven energy and economy 氢驱动能源和经济的生命周期碳强度分布图
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-13 DOI: 10.1016/j.xcrp.2024.102146

Innovative approaches on clean alternative energy sources are important for future decarbonization. Electrification and hydrogen energy are crucial pathways for decarbonization in both transportation and buildings. However, life-cycle stage-wise carbon intensity is still unclear for both hydrogen- and electricity-driven energy. Furthermore, systematic evaluation on low-carbon transition pathways is insufficient specifically within the Internet of Energy that interfaces hydrogen and electricity. Here, a generic approach is proposed for quantifying life-cycle stage-wise carbon intensity of both hydrogen- and electricity-driven energy internets. Life-cycle decarbonization effects on vehicle pathways are compared with traditional vehicles with internal-combustion engines. Techno-economic and environmental feasibility of the future advanced hydrogen-driven Internet of Energy is analyzed based on net present value. The region-wise carbon-intensity map and associated decarbonization strategies will help researchers and policymakers in promoting sustainable development with the hydrogen economy.

清洁替代能源的创新方法对于未来的去碳化非常重要。电气化和氢能是交通和建筑领域去碳化的重要途径。然而,氢能和电力驱动能源的生命周期阶段性碳强度仍不明确。此外,对低碳过渡途径的系统评估也不够充分,特别是在氢能和电力相互结合的能源互联网中。本文提出了一种通用方法,用于量化氢能和电力驱动能源互联网的生命周期阶段性碳强度。并将车辆生命周期脱碳效果与传统内燃机车辆进行了比较。根据净现值分析了未来先进的氢驱动能源互联网在技术经济和环境方面的可行性。区域碳强度图和相关的脱碳战略将有助于研究人员和政策制定者利用氢经济促进可持续发展。
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引用次数: 0
Optoelectronic wide-band-gap oxide-based memristor for mimicking human eye sensory perception and object tracking 基于光电宽带隙氧化物的忆阻器,用于模拟人眼感知和物体跟踪
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-13 DOI: 10.1016/j.xcrp.2024.102144
Dayanand Kumar, Rajan Bharti, Hanrui Li, Dhananjay D. Kumbhar, Nazek El-Atab
By integrating sensing, processing, and memory functionalities, the human sensory systems are extraordinarily energy and power efficient. Here, we report a ZnSnO (ZTO)/InO-based optoelectronic device that senses varying light intensities and perceives different motion behaviors. The device exhibits exceptional voltage-activated synaptic properties, encompassing features such as short-term and long-term plasticity, alongside notable light-sensitive characteristics that enable diverse light-triggered synaptic functions. Through simultaneous light and electrical voltage signals, we achieve light-enhanced/electrically erasing behavior, light-initiated paired-pulse facilitation (PPF), and learning-forgetting-relearning processes by tuning the 405 nm wavelength optical light. Furthermore, by manipulating charge dynamics through light intensity and duration, we replicate the basic sensing and perception function of the human eyes as a volatile receptor, showing potential for artificial retina applications. The device also demonstrates the capability to track objects and eye movement, holding promise for virtual reality systems.
人类的感官系统集成了传感、处理和记忆功能,因此非常节能省电。在此,我们报告了一种基于氧化锌(ZTO)/氧化铟(InO)的光电器件,它能感知不同的光强度并感知不同的运动行为。该器件具有卓越的电压激活突触特性,包括短期和长期可塑性,以及显著的光敏特性,可实现多种光触发突触功能。通过同时发出光信号和电压信号,我们实现了光增强/电擦除行为、光引发的配对脉冲促进(PPF),以及通过调整 405 nm 波长的光学光进行学习-遗忘-再学习的过程。此外,通过光强度和持续时间操纵电荷动态,我们复制了人眼作为挥发性受体的基本感应和感知功能,显示了人工视网膜应用的潜力。该装置还展示了跟踪物体和眼球运动的能力,为虚拟现实系统带来了希望。
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引用次数: 0
Reactive force-field simulation and experimental validation of cyclic defects in silicon anodes for lithium-ion batteries 锂离子电池硅阳极循环缺陷的反应力场模拟和实验验证
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-13 DOI: 10.1016/j.xcrp.2024.102148

Silicon anodes for lithium-ion batteries offer high theoretical capacity but face practical challenges of capacity fading due to significant volumetric changes during charge-discharge cycles. To reveal the underlying mechanisms, we employ reactive force fields (ReaxFFs) in molecular dynamics simulations to conduct atomic analyses of lithiation and delithiation cycles of silicon particles with three diameters. Our simulations demonstrate a volumetric expansion exceeding 280%, primarily along the ⟨110⟩ direction, with an inward movement of the interface between lithiated and unlithiated regions. We introduce a metric, “geometric defect,” derived from the centroid deviation of neighboring atoms, to evaluate the structural integrity of the silicon anode. Geometric defect state of charge curves show a 5% capacity fade due to silicon loss after the initial cycle. Experimental validation confirms a capacity loss exceeding 40% after the first cycle, attributed to internal defects within silicon particles, aligning well with our simulation results.

锂离子电池的硅阳极具有很高的理论容量,但在充放电循环过程中,由于体积发生显著变化,因此面临容量衰减的实际挑战。为了揭示其深层机理,我们在分子动力学模拟中采用了反应力场(ReaxFFs),对三种直径的硅颗粒的锂化和脱锂循环进行了原子分析。我们的模拟结果表明,硅颗粒的体积膨胀超过 280%,主要沿⟨110⟩方向膨胀,石化和非石化区域的界面向内移动。我们从相邻原子的中心偏差中引入 "几何缺陷 "指标,以评估硅阳极的结构完整性。几何缺陷电荷状态曲线显示,在初始循环后,由于硅损耗,容量会下降 5%。实验验证证实,在第一个周期后,由于硅颗粒内部缺陷造成的容量损失超过 40%,这与我们的模拟结果非常吻合。
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引用次数: 0
The convergence of bioelectronics and engineered living materials 生物电子学与工程生物材料的融合
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-13 DOI: 10.1016/j.xcrp.2024.102149

Emulating nature’s living properties in functional materials is a crucial step toward creating adaptive and self-regulating systems capable of integration with biological tissues. In this perspective, we first investigate the various strategies employed in the field of bioelectronics and engineered living materials to replicate nature's living functionalities. Then, we explore the convergence of bioelectronics and engineered living materials, highlighting an approach called living bioelectronics. We posit that merging these two fields can enable the creation of robust, adaptable devices that replicate the dynamic functionalities of living systems. Living bioelectronics integrate the strength of both disciplines while complementing their weaknesses, heralding opportunities for biosensing, personalized therapies, and applications beyond healthcare.

在功能材料中模拟自然界的生命特性,是创造能够与生物组织相结合的自适应和自调节系统的关键一步。从这个角度出发,我们首先研究了生物电子学和工程活体材料领域为复制自然界的活体功能而采用的各种策略。然后,我们探讨了生物电子学和工程活体材料的融合,重点介绍了一种称为活体生物电子学的方法。我们认为,将这两个领域融合在一起,可以制造出坚固耐用、适应性强的设备,复制生命系统的动态功能。活体生物电子学整合了这两个学科的优势,同时补充了它们的不足,为生物传感、个性化疗法和医疗保健以外的应用带来了机遇。
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引用次数: 0
Recognition of RNA secondary structures with a programmable peptide nucleic acid-based platform 利用基于多肽核酸的可编程平台识别 RNA 二级结构
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-12 DOI: 10.1016/j.xcrp.2024.102150

RNA secondary structures comprise double-stranded (ds) and single-stranded (ss) regions. Antisense peptide nucleic acids (asPNAs) enable the targeting of ssRNAs and weakly formed dsRNAs. Nucleobase-modified dsRNA-binding PNAs (dbPNAs) allow for dsRNA targeting. A programmable RNA-structure-specific targeting strategy is needed for the simultaneous recognition of dsRNAs and ssRNAs. Here, we report on combining dbPNAs and asPNAs (designated as daPNAs) for the targeting of dsRNA-ssRNA junctions. Our data suggest that combining traditional asPNA (with a 4-letter code: T, C, A, and G) and dbPNA (with a 4-letter code: T or s2U, L, Q, and E) scaffolds facilitates RNA-structure-specific tight binding (nM to μM). We further apply our daPNAs in substrate-specific inhibition of Dicer acting on precursor miRNA (pre-miR)-198 in a cell-free assay and regulating ribosomal frameshifting induced by model hairpins in both cell-free and cell culture assays. daPNAs would be a useful platform for developing chemical probes and therapeutic ligands targeting RNA.

RNA 二级结构包括双链 (ds) 和单链 (ss) 区域。反义肽核酸(asPNAs)可以靶向ssRNAs和形成较弱的dsRNAs。核碱基修饰的 dsRNA 结合 PNA(dsPNA)可用于 dsRNA 靶向。要同时识别dsRNA和ssRNA,需要一种可编程的RNA结构特异性靶向策略。在这里,我们报告了结合 dbPNAs 和 asPNAs(称为 daPNAs)来靶向 dsRNA-ssRNA 连接的情况。我们的数据表明,结合传统的 asPNA(四字母代码:T、C、A 和 G)和 dbPNA(四字母代码:T 或 s2U、L、Q 和 E)支架可促进 RNA 结构特异性的紧密结合(nM 到 μM)。我们进一步将我们的 daPNAs 应用于无细胞试验中抑制 Dicer 作用于前体 miRNA(pre-miR)-198 的底物特异性,以及无细胞和细胞培养试验中调节模型发夹诱导的核糖体框架转换。
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引用次数: 0
A nature-based solution for regulating the inflammatory phase of diabetic wound healing using a cold atmospheric plasma 利用冷大气等离子体调节糖尿病伤口愈合炎症阶段的自然解决方案
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-09 DOI: 10.1016/j.xcrp.2024.102147

Diabetes is an inflammatory disease that usually causes chronic wounds for which no satisfactory therapies currently exist. Here we report a physical approach using a cold atmospheric plasma (CAP) to target diabetic wounds locally for regulating the inflammatory phase of the wounds. In this paper, a comprehensive analysis of inflammatory factors combined with physical investigations of the helium plasma jet characteristics is conducted. The physical and biological safety and clinical application prospects of the CAP jet for the human body are also analyzed. The results demonstrate for the first time that CAP therapy can stimulate the body’s own inflammatory regulation function to achieve a normal state, rather than excessively interfere in a single target. This involves the inhibition of pro-inflammatory factors in the onset subphase and the promotion of anti-inflammatory factors in the subsequent resolution subphase. This research contributes to the development of highly effective and safe topical therapies to promote chronic wound healing.

糖尿病是一种炎症性疾病,通常会导致慢性伤口,目前还没有令人满意的治疗方法。在此,我们报告了一种利用冷大气等离子体(CAP)针对糖尿病伤口局部调节伤口炎症阶段的物理方法。本文结合氦等离子体射流特性的物理研究,对炎症因素进行了全面分析。同时还分析了 CAP 射流对人体的物理和生物安全性以及临床应用前景。研究结果首次证明,CAP疗法可以激发人体自身的炎症调节功能,使其达到正常状态,而不是对单一目标进行过度干预。这包括在发病子阶段抑制促炎因子,在随后的消炎子阶段促进抗炎因子。这项研究有助于开发高效安全的局部疗法,促进慢性伤口愈合。
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引用次数: 0
Beyond slurry cast: Patterning of a monolithic active material sheet to form free-standing, solvent-free, and low-tortuosity battery electrodes 超越浆料浇铸:对整体活性材料薄片进行图案化,以形成独立、无溶剂和低涡流的电池电极
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-08 DOI: 10.1016/j.xcrp.2024.102143

Commercial lithium-ion battery electrodes today are manufactured by slurry casting active material powder onto a metal current collector foil. This manufacturing process has become embedded over recent decades but limits commercial cell performance. This paper presents patterning of a monolithic active material sheet as an alternative to slurry casting. The concept is proven experimentally by laser drilling a pyrolytic graphite sheet to increase the gravimetric active material capacity from 10 mA h g−1 to 450 mA h g−1, when used as a negative lithium-intercalation electrode. Cell-level calculations show that, without changing the chemistry, a pyrolytic graphite sheet electrode with a hexagonal array of 5 μm diameter, 20 μm pitch channels could increase the gravimetric energy density of a LGM50 cell by 22% to 322 W h kg−1. By moving beyond slurry casting, patterned monolithic electrodes could enable batteries with lower cost, reduced energy intensity, and enhanced performance.

目前,商用锂离子电池电极的制造方法是将活性材料粉末浆状浇铸到金属集流箔上。近几十年来,这种制造工艺已成为嵌入式工艺,但却限制了商用电池的性能。本文介绍了整体活性材料片的图案化,作为浆料浇铸的替代方法。通过激光钻孔热解石墨片,实验证明了这一概念,在用作锂闰负极时,可将活性材料的重力容量从 10 mA h g-1 提高到 450 mA h g-1。电池级计算显示,在不改变化学成分的情况下,具有直径 5 μm、间距 20 μm 的六边形沟道阵列的热解石墨片电极可将 LGM50 电池的重力能量密度提高 22%,达到 322 W h kg-1。通过超越浆料浇铸技术,图案化单片电极可使电池成本更低、能量密度更低、性能更强。
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引用次数: 0
Rational design and fabrication of hierarchical ceramics using bioinspired microstructures for tailorable strength and toughness 利用生物启发微结构合理设计和制造分层陶瓷,实现可定制的强度和韧性
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-06 DOI: 10.1016/j.xcrp.2024.102140

Dense bioceramics feature hierarchical microstructures with weak interfaces that endow them with strength, toughness, and structural functionalities. Conversely, most technical ceramics possess limited structural complexity and strong grain boundaries that restrict their toughness and functions. Here, we report a rational design strategy to fabricate ceramics with various bioinspired microstructural motifs, leading to strength, toughness, and locally varying properties. We employ magnetically assisted slip casting (MASC) for local orientations of alumina microplatelets and ultrafast high-temperature sintering (UHS) as a densifying method. We sequentially vary the slurry composition and sintering processes to attain high texture, relative density, and weak grain interfaces. We realize dense ceramics with horizontal, periodic, and graded motifs that exhibit direction- and site-specific properties, with flexural strengths of ∼290, 155, and 215 MPa, and fracture toughness of ∼7, 5, and 10 MPa·m0.5, respectively. The strategy could be used to fabricate ceramic composites for tailorable local and bulk properties.

致密生物陶瓷具有分层微结构和弱界面,这赋予了它们强度、韧性和结构功能。相反,大多数技术陶瓷具有有限的结构复杂性和强晶界,这限制了它们的韧性和功能。在此,我们报告了一种合理的设计策略,以制造具有各种生物启发微结构图案的陶瓷,从而获得强度、韧性和局部不同的特性。我们采用磁助滑移铸造(MASC)来实现氧化铝微孔的局部取向,并采用超快高温烧结(UHS)作为致密化方法。我们依次改变浆料成分和烧结工艺,以获得高质地、相对密度和弱晶粒界面。我们实现了具有水平、周期和分级图案的致密陶瓷,这些图案表现出特定方向和部位的特性,抗弯强度分别为 ∼290、155 和 215 兆帕,断裂韧性分别为 ∼7、5 和 10 兆帕-m0.5。该策略可用于制造陶瓷复合材料,以获得可定制的局部和整体性能。
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引用次数: 0
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Cell Reports Physical Science
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