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The metamaterial with high thermal-mechanical stability and the practical application as the microwave antenna: Mechanical designs, theoretical predictions, and experimental demonstrations 具有高热机械稳定性的超材料及其作为微波天线的实际应用:机械设计、理论预测和实验演示
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-05-08 DOI: 10.1016/j.eml.2024.102166
Huabin Yu , Haomiao Wang , Xiaoyue Wang , Hongshuai Lei , Xiaogang Guo

To address the demand of maintaining the structural configuration upon extreme temperature changes, metamaterials with high thermal-mechanical stability have attracted wide attention recently. However, there are still some challenges for previous studies regarding mechanical design and practical application exploration. This manuscript proposes the design strategy for the lattice sandwich metamaterial with excellent zero thermal-induced warping, along with the metamaterial-based antenna with a high stability of electromagnetic signal transmission. Through the design strategy of discrete lattice units of the metamaterial, the ultra-low thermal warping of the metamaterial is realized upon the non-uniform temperature field. Here, the theoretical model is established to predict both heat transfer and thermal-induced deformation behavior upon complex mechanical-thermal loading conditions. The combination of theoretical predictions, finite element analysis, and experiments verifies the thermal dimensional stability of the metamaterial proposed here. Compared with the heterogeneous bilayer plate, experimental thermal warping of the metamaterial specimen is reduced by 99.7%. Additionally, compared with the bilayer-based specimen, gain attenuation, the main lobe's offset angle, and the voltage standing wave ratio offset of the metamaterial-based antenna specimen are experimentally reduced by 99.5%, 99.9% and 74.2%, revealing the huge application potential of this metamaterial in the field of spacecraft communication.

为了满足在极端温度变化时保持结构构造的需求,具有高热机械稳定性的超材料近年来引起了广泛关注。然而,以往的研究在力学设计和实际应用探索方面仍面临一些挑战。本手稿提出了具有优异零热致翘曲性的晶格三明治超材料设计策略,以及具有高电磁信号传输稳定性的基于超材料的天线。通过超材料离散晶格单元的设计策略,实现了超材料在非均匀温度场下的超低热翘曲。本文建立了一个理论模型,用于预测复杂机械热加载条件下的传热和热诱导变形行为。理论预测、有限元分析和实验相结合,验证了本文提出的超材料的热尺寸稳定性。与异质双层板相比,超材料试样的实验热翘曲减少了 99.7%。此外,与基于双层板的试样相比,基于超材料的天线试样的增益衰减、主叶偏移角和电压驻波比偏移在实验中分别降低了 99.5%、99.9% 和 74.2%,揭示了该超材料在航天器通信领域的巨大应用潜力。
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引用次数: 0
Deep learning-based inverse design of lattice metamaterials for tuning bandgap 基于深度学习的晶格超材料反向设计用于调整带隙
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-05-07 DOI: 10.1016/j.eml.2024.102165
Kai Zhang , Yaoyao Guo , Xiangbing Liu , Fang Hong , Xiuhui Hou , Zichen Deng

In this paper, deep learning neural networks is used to predict the band structure of metamaterial lattices, and proactive inverse design is employed in bandgap modulation. A parametric design of the metamaterial lattice is proposed to achieve a rich design space. The corresponding band structure data is calculated by finite element method (FEM) to construct the data set. We successfully bypass complex theoretical or numerical methods to establish the mapping relationship between the lattice geometry parameters of metamaterials and the band structure data by constructing and training fully connected neural networks and convolutional neural networks (CNN). By combining the trained neural network model into an inverse design method of bandgap tuning, the geometric parameters of the metamaterial lattice can be obtained directly by inputting the target band structure. Finally, three object band structures are designed and verified by finite element simulation and experiment, which verifies the effectiveness of the inverse design method. This design approach can be extended to design other metamaterial properties.

本文利用深度学习神经网络预测超材料晶格的带状结构,并在带隙调制中采用主动反向设计。本文提出了超材料晶格的参数化设计方法,以获得丰富的设计空间。通过有限元法(FEM)计算相应的带结构数据,构建数据集。通过构建和训练全连接神经网络和卷积神经网络(CNN),我们成功地绕过了复杂的理论或数值方法,建立了超材料晶格几何参数与带状结构数据之间的映射关系。通过将训练好的神经网络模型与带隙调整的逆向设计方法相结合,输入目标带结构即可直接获得超材料晶格的几何参数。最后,设计了三个目标带结构,并通过有限元仿真和实验进行了验证,从而验证了反向设计方法的有效性。这种设计方法可以扩展到其他超材料特性的设计。
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引用次数: 0
The anti-dogbone: Evaluating and designing optimal tensile specimens for deep learning of constitutive relations 反狗骨架:评估和设计用于深度学习构成关系的最佳拉伸试样
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-05-06 DOI: 10.1016/j.eml.2024.102157
Chi-Huan Tung , Ju Li

Traditional tensile testing with “dogbone”-shaped specimen (ASTM E8, first standardized in 1924) strives for strain uniformity. Multiple tests with such samples help fit simple constitutive relation parameters on real materials. With the development of deep learning, the concept of employing entirely data-driven constitutive relations to capture more intricate material behavior has arisen. Nevertheless, these methods demand experimental data that are distributed throughout the complete stress–strain configuration space to effectively train the machine learning models. This is particularly crucial for mechanisms like hardening, which are time-dependent and sensitive to loading history. In this work, we investigate the potential to efficiently gather a wider range of experimental data points in the stress–strain configuration space using non-uniform samples and displacement-field mapping, leveraging advancements in computer vision techniques. We developed a metric to quantify stress state diversity in 2D tensile experiments and used it to optimize the shape of the sheet sample. The goal was to increase stress–strain diversity obtained within a single test, particularly in the linear elastic regime. Additional geometric constraints can be introduced on the design features, considering factors such as size and curvature to adapt to the microstructural characteristics of the sample material.

传统的拉伸测试使用 "狗骨 "形试样(ASTM E8,1924 年首次标准化),力求应变均匀。使用此类试样进行多次测试有助于在实际材料上拟合简单的构成关系参数。随着深度学习的发展,出现了采用完全由数据驱动的构成关系来捕捉更复杂的材料行为的概念。然而,这些方法需要分布在整个应力-应变构型空间的实验数据,以有效训练机器学习模型。这对于硬化等机制尤为重要,因为这些机制与时间相关,对加载历史非常敏感。在这项工作中,我们利用计算机视觉技术的进步,研究了使用非均匀样本和位移场映射在应力-应变配置空间中有效收集更广泛的实验数据点的潜力。我们开发了一种指标来量化二维拉伸实验中的应力状态多样性,并将其用于优化薄片样品的形状。我们的目标是增加单次试验中获得的应力-应变多样性,尤其是在线性弹性状态下。考虑到尺寸和曲率等因素,可以对设计特征引入额外的几何约束,以适应样品材料的微观结构特征。
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引用次数: 0
Effective medium modelling of real-world multi-modal metamaterial panels achieving broadband vibroacoustic attenuation 实现宽带振动声衰减的真实世界多模态超材料面板的有效介质建模
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-04-25 DOI: 10.1016/j.eml.2024.102161
Daniele Giannini, Edwin P.B. Reynders

Locally resonant metamaterials can achieve unprecedented vibroacoustic performance by subwavelength distributions of small mechanical resonators on a host structure. Substantial broadband vibroacoustic attenuation can be achieved by multi-modal metamaterial panels, which exploit multiple translational and rotational resonator modes to manipulate the overall bending wave propagation. However, the multi-modal metamaterial concept has been studied only for idealized conditions, such as infinite panel extent and uniformly distributed resonators, limiting practical applicability. Efficient methodologies are still needed to study the behaviour of multi-modal metamaterial panels in real-world scenarios. In this work, this challenge is tackled by developing generalized effective medium models, i.e., homogenized material representations through equivalent macro-scale properties, tailored for finite-sized multi-modal metamaterial panels. For the special but important case of simply supported rectangular panels with uniformly distributed resonators, a dedicated analytical effective medium model is developed. For arbitrary boundary conditions and resonator distributions, effective medium finite elements are formulated. The diffuse sound transmission loss (STL) performance is efficiently predicted through Deterministic - Statistical Energy Analysis (Det-SEA), by coupling the effective medium model of the finite-sized metamaterial panel with a diffuse model of the surrounding sound fields. The proposed prediction approaches are validated against detailed FEM modelling, demonstrating that significant computational reductions are achieved while preserving accuracy. Results showcase that multi-modal metamaterial panels maintain broadband vibracoustic attenuation also when subjected to boundary effects and under partial metamaterial treatment.

局部谐振超材料通过在主结构上亚波长分布小型机械谐振器,可以实现前所未有的振动声学性能。多模态超材料面板可利用多个平移和旋转谐振器模式来操纵整体弯曲波的传播,从而实现大幅度的宽带振动声衰减。然而,多模态超材料概念仅针对理想化条件进行了研究,如面板范围无限大和谐振器均匀分布,这限制了其实际应用性。要研究现实世界中多模态超材料面板的行为,仍然需要有效的方法。在这项工作中,通过开发广义有效介质模型,即通过等效宏观尺度属性的均质材料表示法,为有限尺寸的多模态超材料面板量身定制,从而解决了这一难题。对于具有均匀分布谐振器的简单支撑矩形面板这种特殊但重要的情况,我们开发了一种专用的分析有效介质模型。对于任意边界条件和谐振器分布,则制定了有效介质有限元。通过确定性-统计能量分析(Det-SEA),将有限尺寸超材料面板的有效介质模型与周围声场的扩散模型耦合,可有效预测扩散声传输损耗(STL)性能。根据详细的有限元建模对所提出的预测方法进行了验证,结果表明,在保持准确性的同时,还能显著减少计算量。结果表明,多模态超材料面板在受到边界效应和部分超材料处理时也能保持宽带振动声衰减。
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引用次数: 0
Pre-yielding and necking process of double network hydrogels revealed by sample geometry effects 样品几何效应揭示的双网水凝胶预屈服和缩颈过程
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-04-25 DOI: 10.1016/j.eml.2024.102163
Masahiro Yoshida , Ryuji Kiyama , Ye Zhang , Daniel R. King , Takayuki Kurokawa , Jian Ping Gong

Understanding the yielding and necking mechanisms of double network (DN) materials is crucial for establishing structure-property correlations. While previous studies have primarily focused on how macro-yielding behavior changes with network structure and swelling, in this work, we study the local internal damage in the pre-yielding process to unveil the yielding and necking mechanisms for typical DN gels. Through birefringence retardation imaging during tensile deformation on DN gels of various sample geometries, our findings reveal the following key points: 1) Initiation and Growth of Damage Zones: Prior to macroscopic yielding, damage zones initiate from the sample edges and gradually grow towards the sample center with elongation. 2) Rapid Propagation and Yielding: Beyond a certain stress threshold, damage zones rapidly propagate under constant loading. Two damage zones eventually merge at the sample center, resulting in yielding. 3) Intrinsic Stress Determination: The stress at this point is intrinsic and determined by the structure of the two networks. 4) Pseudo Size-Dependency: Samples with insufficient width exhibit a pseudo size-dependency of yielding stress, as yielding occurs before reaching the critical stress. To explain the origin of intrinsic yielding stress, we introduce an intrinsic effective crack length (cI) as a measure of stress concentration around the internal crack tip of the damaged zone in the first network. Beyond this length, the influence on internal stress concentration around the damage zone is effectively screened by the load-bearing effect of the stretchable second network. The estimated cI, dependent on the microstructure of the two networks, was approximately 10 times the mesh size of the first network for typical DN gels.

了解双网络(DN)材料的屈服和缩颈机制对于建立结构-性能相关性至关重要。以往的研究主要关注宏观屈服行为如何随网络结构和膨胀而变化,而在这项工作中,我们研究了屈服前过程中的局部内部损伤,以揭示典型 DN 凝胶的屈服和缩颈机制。通过对不同几何形状的 DN 凝胶在拉伸变形过程中的双折射延迟成像,我们的研究结果揭示了以下要点:1) 损伤区的形成和发展:在宏观屈服之前,损伤区从样品边缘开始,随着拉伸逐渐向样品中心扩展。2) 快速扩展和屈服:超过一定的应力阈值后,损伤区会在恒定加载下快速扩展。两个损伤区最终在试样中心合并,导致屈服。3) 固有应力确定:此时的应力是固有的,由两个网络的结构决定。4) 伪尺寸依赖性:宽度不足的样品表现出屈服应力的伪尺寸依赖性,因为屈服发生在达到临界应力之前。为了解释本征屈服应力的起源,我们引入了本征有效裂纹长度(cI),作为第一个网络中受损区域内部裂纹尖端周围应力集中的度量。超过这一长度,损伤区周围的内应力集中的影响将被可拉伸的第二网络的承载效应有效屏蔽。对于典型的 DN 凝胶,估计的 cI 值取决于两个网络的微观结构,约为第一网络网格尺寸的 10 倍。
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引用次数: 0
Microstructure-chemomechanics relations of polycrystalline cathodes in solid-state batteries 固态电池中多晶阴极的微观结构-化学力学关系
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-04-24 DOI: 10.1016/j.eml.2024.102164
Avtar Singh , Jihun Song , Wei Li , Trevor Martin , Hongyi Xu , Donal P. Finegan , Juner Zhu

Lithium-nickel-manganese-cobalt-oxides (NMC) embedded in solid-electrolytes are being extensively applied as composite cathodes to match the high energy density of metallic anodes. During charge/discharge, the cathode composite often degrades through the evolution of micro-cracks within the grains, along the grain boundaries, and delamination at the particle-electrolyte interface. Experimental evidence has shown that regulating the morphology of grains and their crystallographic orientations is an effective way to relieve the volume-expansion-induced stresses and cracks, consequently stabilizing the electrochemical performance of the electrode. However, the interplay among the crystal orientation, grain morphology, and chemo-mechanical behavior has not been holistically studied. In that context, a thermodynamically consistent computational framework is developed to understand the role of microstructural modulation on the chemo-mechanical interactions of a polycrystalline NMC secondary particle embedded in a sulfide-based solid electrolyte. A phase-field fracture variable is employed to consider the initiation and propagation of cracks. A set of diffused phase-field parameters is adopted to define the transition of chemo-mechanical properties between the grains, grain boundaries, electrolyte, and particle-electrolyte interfaces. This modeling framework is implemented in the open-source finite element package MOOSE to solve three state variables: concentration, displacement, and phase-field damage parameter. A systematic parametric study is performed to explore the effects of aspect ratio, the crystal orientation of grains, and the interfacial fracture energy through the chemo-mechanical analysis of the composite electrode. The findings of this study offer predictive insights for designing solid-state batteries that provide stable performance with reduced fracture evolution.

嵌入固体电解质中的锂-镍-锰-钴-氧化物(NMC)正被广泛用作复合阴极,以匹配金属阳极的高能量密度。在充电/放电过程中,阴极复合材料经常会因晶粒内部、晶界上的微裂纹以及颗粒-电解质界面上的分层而降解。实验证明,调节晶粒形态及其晶体取向是缓解体积膨胀引起的应力和裂纹的有效方法,从而稳定电极的电化学性能。然而,人们尚未对晶体取向、晶粒形态和化学机械行为之间的相互作用进行全面研究。在此背景下,我们开发了一个热力学一致的计算框架,以了解微结构调制对嵌入硫化物固体电解质中的多晶 NMC 次级粒子的化学机械相互作用的作用。采用相场断裂变量来考虑裂纹的产生和扩展。采用一组扩散相场参数来定义晶粒、晶界、电解质和粒子-电解质界面之间化学机械特性的转变。该建模框架由开源有限元软件包 MOOSE 实现,用于求解三个状态变量:浓度、位移和相场损伤参数。通过对复合电极的化学机械分析,进行了系统的参数研究,以探索高宽比、晶粒的晶体取向和界面断裂能的影响。这项研究的结果为设计固态电池提供了预测性见解,使其性能稳定并减少断裂演化。
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引用次数: 0
Crack-insensitive fracture of elastomer-based soft network materials under monotonic and cyclic loads 单调荷载和循环荷载下弹性体基软网络材料的裂缝敏感断裂
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-04-24 DOI: 10.1016/j.eml.2024.102162
Jianxing Liu, Haiyang Liu, Haoyu Guo, Tongqing Lu

In various applications of stretchable electronics and soft robots, soft materials are subjected to long-term load-bearing conditions, requiring them to possess good extreme mechanical properties such as highly stretchable, strong, fracture-resistant and anti-fatigue. Conventional soft materials with a single polymer network typically exhibit relatively low fracture resistance, while commonly employed toughening method involves introducing mechanical dissipation into original polymer networks often require complicated chemical synthesis and result in significant hysteresis under cyclic loads. Designing soft solid materials into soft network materials with periodic lattice structure paving another effective route to improve the fracture-resistant performance of soft materials, which has not been reported in the literature. This work provides a combined experimental and computational study on the mechanical properties and fracture behaviors of elastomer-based soft network materials with/without a precut crack under monotonic and cyclic loads, aiming to present a structural design strategy for fracture-resistant soft materials. The elastomer-based soft network materials are proven to be crack-insensitive, low-hysteresis and anti-fatigue. The nonlinear finite element analysis (FEA) is employed to reveal the underlying mechanism of crack-insensitivity in elastomer-based soft network materials. Both the mechanical properties and deformed configurations of soft network materials with/without a precut crack are accurately predicted by the FEA method. The effect of microstructure geometry and network topology on the mechanical properties of soft network materials is systematically studied. Under various amplitudes of cyclic applied strain, the elastomer-based soft network materials can survive even after individual microstructures ruptured, and the fatigue fracture process slows down as the applied strain amplitude decreases. In contrast to the behavior observed in monotonic loads where fracture initiates at the microstructure located ahead of the crack tip, fatigue fracture initiation in soft network materials with a precut crack exhibits a random distribution.

在可拉伸电子器件和软机器人的各种应用中,软材料需要长期承受载荷,这就要求它们具有良好的极限机械性能,如高拉伸性、高强度、抗断裂性和抗疲劳性。传统的单一聚合物网络软材料通常表现出相对较低的抗断裂性,而常用的增韧方法涉及在原始聚合物网络中引入机械耗散,通常需要复杂的化学合成,并在循环载荷下产生明显的滞后。将软固体材料设计成具有周期性晶格结构的软网络材料,为提高软材料的抗断裂性能铺平了另一条有效途径,而这在文献中尚未见报道。本研究通过实验与计算相结合的方法,研究了弹性体基软网络材料在单调载荷和循环载荷作用下有/无预切裂纹的力学性能和断裂行为,旨在提出一种抗断裂软材料的结构设计策略。事实证明,基于弹性体的软网络材料对裂纹不敏感,具有低滞后性和抗疲劳性。研究采用非线性有限元分析(FEA)揭示了弹性体基软网络材料对裂纹不敏感的内在机理。有限元分析方法准确预测了有/无预切割裂纹的软网络材料的力学性能和变形构型。系统研究了微结构几何形状和网络拓扑结构对软网络材料力学性能的影响。在不同振幅的循环应变下,弹性体基软网络材料即使在单个微结构断裂后仍能存活,而且疲劳断裂过程随着应变振幅的减小而减慢。与单调载荷下观察到的断裂起始于裂纹尖端前方的微结构的行为不同,软网络材料中的预切裂纹的疲劳断裂起始点呈随机分布。
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引用次数: 0
The collective snapping of a pair of bumping buckled beams 一对碰撞的倒扣横梁集体断裂
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-04-20 DOI: 10.1016/j.eml.2024.102160
Lennard J. Kwakernaak , Arman Guerra , Douglas P. Holmes , Martin van Hecke

When a pair of parallel buckling beams of unequal thickness make lateral contact under increasing compression, eventually either the thin or the thick beam will snap, leading to collective motion of the beam pair. Using experiments and FEM simulations, we find that the distance D between the beams selects which beam snaps first, and that the critical distance D scales linear with the combined thickness of the two beams. To understand this behavior, we show that the collective motion of the beams is governed by a pitchfork bifurcation that occurs at strains just below snapping. Specifically, we use a model of two coupled Bellini trusses to find a closed form expression for the location of this pitchfork bifurcation that captures the linear scaling of D with beam thickness. Our work uncovers a novel elastic instability that combines buckling, snapping and contact nonlinearities. This instability underlies the packing of parallel confined beams, and can be leveraged in advanced metamaterials.

当一对厚度不等的平行屈曲梁在压缩力不断增加的情况下发生横向接触时,最终薄梁或厚梁会发生折断,从而导致这对梁的集体运动。通过实验和有限元模拟,我们发现梁之间的距离 D 决定了哪根梁先断裂,临界距离 D∗ 与两根梁的总厚度成线性比例。为了理解这种行为,我们证明横梁的集体运动受干草叉分叉的控制,该分叉发生在应变刚刚低于折断的位置。具体来说,我们使用两个耦合贝利尼桁架模型,找到了杈形分岔位置的封闭式表达式,该表达式捕捉到了 D∗ 与梁厚度的线性比例关系。我们的研究发现了一种新的弹性不稳定性,它结合了屈曲、折断和接触非线性。这种不稳定性是平行约束梁堆积的基础,可以在先进的超材料中加以利用。
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引用次数: 0
Nonlinear response to contact impact on the surface of an aluminum alloy AlMg6 exhibiting the Portevin-Le Chatelier effect 铝合金 AlMg6 表面对接触冲击的非线性响应表现出波特文-勒夏特列效应
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-04-16 DOI: 10.1016/j.eml.2024.102158
A.A. Shibkov, M.F. Gasanov, A.E. Zolotov, A.A. Denisov, S.S. Kochegarov

Intermittent plastic flow known as the Portevin-Le Chatelier effect is a pronounced nonlinear phenomenon in a material science. One of the traditional approaches to the study of nonlinear system is to identify and analyze its responses to an external impulsive action. In the present work, the influence of impact indentation on the evolution of the spatio-temporal patterns of localized strain in an AlMg alloy deformed under the Portevin-Le Chatelier effect is studied with using an acoustic emission technique and high-speed video recording of propagating deformation bands. Dynamic and nonlinear responses to impact indentation of the surface of an alloy deformed by uniaxial tension above the conditional yield strength are revealed; the first include high values of dynamic hardness and local strain and loading rates, while the second involve the threshold and multiple nature of the force and acoustic responses. It has been established that there is a threshold impact energy of the indenter at which an induced strain jump of minimum amplitude occurs, accompanied by the formation of bands of macrolocalized plastic deformation. The conditions are established under which the work of plastic deformation during the development of the induced strain jump significantly, by more than two orders of magnitude, exceeds the energy of the initiating impact, which acts only as a trigger for the “premature” release of the elastic energy accumulated in the material before the moment of impact. It is shown that the impact-induced bands of macrolocalized deformation represent a hidden three-dimensional type of erosion damage that reduces the mechanical stability and durability of the alloy. A phenomenological model is proposed for the formation of bands, strain jumps, and bursts of acoustic emission induced by an indenter impact, which qualitatively explains the experimental results obtained in the work.

被称为波特温-勒夏特列效应的间歇塑性流动是材料科学中一种明显的非线性现象。研究非线性系统的传统方法之一是识别和分析其对外部冲击作用的响应。在本研究中,利用声发射技术和传播变形带的高速视频记录,研究了在波特温-勒夏特列效应下变形的铝镁合金中,冲击压痕对局部应变时空模式演变的影响。研究揭示了单轴拉伸变形的合金表面在超过条件屈服强度时受到冲击压痕的动态和非线性响应;前者包括高动态硬度值、局部应变和加载速率,后者涉及力和声学响应的阈值和多重性质。已确定压头的冲击能量存在一个阈值,在该阈值处会出现最小振幅的诱导应变跃变,并伴随着宏观局部塑性变形带的形成。在此条件下,诱导应变跃变发展过程中的塑性变形功大大超过了启动冲击的能量,超过了两个数量级,而启动冲击的能量仅作为触发因素,"过早 "释放材料在冲击瞬间之前积累的弹性能量。研究表明,冲击诱发的大局部变形带是一种隐蔽的三维侵蚀损伤,会降低合金的机械稳定性和耐久性。针对压头冲击诱发的带状变形、应变跳跃和声发射爆发的形成,提出了一个现象学模型,该模型定性地解释了工作中获得的实验结果。
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引用次数: 0
Atomic reconstruction enabled coupling between interlayer distance and twist in van der Waals bilayers 原子重构实现了范德华双层膜层间距离与扭转之间的耦合
IF 4.7 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-04-15 DOI: 10.1016/j.eml.2024.102159
Wei Qiu , Baidu Zhang , Yi Sun, Linghui He, Yong Ni

Achieving precise control over interlayer interactions and properties in van der Waals (vdW) bilayers represents a significant breakthrough in materials science. In this study, using molecular dynamic and a hybrid model we show an emergent coupling between interlayer distance and twist angle in the reconstructed twisted bilayer graphene (tBLG). The reconstructed state of tBLG arises from the delicate interplay between vdW interlayer interactions and elastic energy within each layer, leading to the emergence of a cross term in the average total energy density of tBLG concerning interlayer distance and twist angle. Such cross term enables tunable interlayer distance via twist and local rotation via interlayer distance. The average interlayer distance in tBLG undergoes an increase from 3.37 Å to 3.45 Å within the range of twist angles from 0° to 4°. Our investigation unveils that the coupling originates from regions of high-energy stacking with maximum interlayer distance increase with the twist angle due to atomic reconstruction. This coupling phenomenon is not exclusive to tBLG, as it appears in other vdW bilayers like MoS2/MoS2, MoSe2/MoSe2, WS2/WS2, and WSe2/WSe2. The coupled interlayer interaction between interlayer distance and twist would have implications for tailoring 2D vdW materials for various applications.

在范德华(vdW)双层石墨烯中实现对层间相互作用和特性的精确控制是材料科学领域的一项重大突破。在这项研究中,我们利用分子动力学和混合模型,展示了重构扭曲双层石墨烯(tBLG)中层间距离和扭曲角度之间的新兴耦合。tBLG 的重构状态源于 vdW 层间相互作用和各层内部弹性能量之间微妙的相互作用,导致 tBLG 平均总能量密度中出现了一个与层间距离和扭曲角度有关的交叉项。这种交叉项可以通过扭转实现可调层间距离,并通过层间距离实现局部旋转。在 0° 至 4° 的扭转角范围内,tBLG 的平均层间距离从 3.37 Å 增加到 3.45 Å。我们的研究揭示了这种耦合源于高能堆叠区域,由于原子重构,最大层间距离随扭转角的增加而增加。这种耦合现象并非 tBLG 独有,它也出现在其他 vdW 双层膜中,如 MoS2/MoS2、MoSe2/MoSe2、WS2/WS2 和 WSe2/WSe2。层间距离和扭曲之间的耦合层间相互作用将对定制二维 vdW 材料的各种应用产生影响。
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Extreme Mechanics Letters
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