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Free energy and extension of stiff polymer chains confined in nanotubes with diverse cross-sectional shapes 限制在具有不同横截面形状的纳米管中的刚性聚合物链的自由能和延伸率
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-10 DOI: 10.1016/j.jmps.2024.105862
Yihan Zhao, Jizeng Wang

The statistical mechanics of stiff polymer chains confined within narrow tubes is a foundational topic in polymer physics, extensively analyzed in prior research. For cylindrical, rectangular, and slit-like confinements, the chains’ free energy and extension adhere to a scaling law consistent with the Odijk theory. While this scaling law may not apply to tubes with different cross-sectional geometries, there is a lack of research examining the behavior of stiff chains in tubes with intricate cross-sectional shapes. In this study, we investigate the partition function of a stiff chain confined within an elliptic tube using the path integral approach, deriving a deflection length in a concise closed form through dimensional analysis. This length scale facilitates straightforward expressions for the chain's free energy and extension. Notably, we discover a shape-independent property of these expressions applicable to tubes with a wide variety of cross-sectional geometries. Extensive numerical simulations are conducted using a biased chain-growth Monte Carlo method, incorporating the Pruned and Enriched Rosenbluth algorithm, to validate the theoretical predictions on the confinement free energy and extension of chains in tubes with differing shapes.

窄管内刚性聚合物链的统计力学是聚合物物理学中的一个基础课题,先前的研究对其进行了广泛分析。对于圆柱形、矩形和狭缝状的束缚,链的自由能和延伸都遵循与奥迪克理论一致的缩放定律。虽然这一缩放定律可能不适用于具有不同横截面几何形状的管材,但目前缺乏对具有复杂横截面形状的管材中刚性链行为的研究。在本研究中,我们采用路径积分法研究了椭圆管内刚性链的分区函数,通过尺寸分析以简洁的封闭形式推导出挠曲长度。这一长度尺度有助于直接表达链的自由能和延伸率。值得注意的是,我们发现这些表达式与形状无关,适用于各种截面几何形状的管子。我们使用偏向链增长蒙特卡洛方法,结合剪枝和富集罗森布鲁算法,进行了大量的数值模拟,以验证关于不同形状管中链的约束自由能和延伸的理论预测。
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引用次数: 0
Fracture and size effect in mechanical metamaterials 机械超材料中的断裂和尺寸效应
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-10 DOI: 10.1016/j.jmps.2024.105860
J. Ulloa , M.P. Ariza , J.E. Andrade , M. Ortiz

We resort to variational methods to evaluate the asymptotic behavior of fine metamaterials as a function of cell size. To zeroth order, the metamaterial behaves as a micropolar continuum with both displacement and rotation degrees of freedom, but exhibits linear-elastic fracture mechanics scaling and therefore no size effect. To higher order, the overall energetics of the metastructure can be characterized explicitly in terms of the solution of the zeroth-order continuum problem by the method of Γ-expansion. We present explicit expressions of the second-order correction for octet frames. As an application, we evaluate the compliance of double-cantilever octet specimens to second order and use the result to elucidate the dependence of the apparent toughness of the specimen on cell size. The analysis predicts the discreteness of the metamaterial lattice to effectively shield the crack-tip, a mechanism that we term lattice shielding. The theory specifically predicts anti-shielding, i. e., coarser is weaker, in agreement with recent experimental observations.

我们采用变分法来评估精细超材料的渐近行为与细胞尺寸的函数关系。在零阶,超材料表现为具有位移和旋转自由度的微极性连续体,但表现出线性弹性断裂力学缩放,因此没有尺寸效应。在更高阶的情况下,超材料结构的整体能量学可以通过Γ-展开方法对零阶连续性问题的求解进行明确表征。我们提出了八面体框架二阶修正的明确表达式。作为应用,我们评估了双悬臂八面体试样的二阶顺应性,并利用该结果阐明了试样表观韧性与单元尺寸的关系。分析预测超材料晶格的离散性可有效屏蔽裂纹尖端,我们称之为晶格屏蔽机制。该理论特别预测了反屏蔽,即越粗则越弱,这与最近的实验观察结果一致。
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引用次数: 0
90-degree peeling of elastic thin films from elastic soft substrates: Theoretical solutions and experimental verification 从弹性软基底上 90 度剥离弹性薄膜:理论解决方案与实验验证
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-08 DOI: 10.1016/j.jmps.2024.105855
Hao Long , Yanwei Liu , Hanbin Yin , Yan Zhang , Qingning Yang , Yueguang Wei

Peeling of thin films has been widely used in adhesion measurement, film transfer and bio-inspired design. Most previous studies focused on the peeling of thin films from rigid substrates, but soft substrates are common in practical applications. Herein, we propose a two-dimensional model based on the bilinear cohesive law to characterize the 90-degree peeling of elastic thin films from elastic soft substrates, and obtain theoretical solutions expressed in terms of the Chebyshev series. The theoretical solutions match well with the finite element method results, including the load-displacement curves and the bulging deformation of soft substrates. We find that with decreasing substrate modulus, the maximum peeling force (Pmax) decreases but the steady-state peeling force remains unchanged. With the present solutions, the interfacial strength and fracture energy can be extracted simultaneously from the 90-degree peeling experiments of thin film/soft substrate systems, and then the experimentally measured Pmax for different film thicknesses can be well predicted. Furthermore, we obtain a new power scaling law of Pmax, where the scaling exponent depends on substrate elasticity. These results can help us measure the interfacial properties of thin film/soft substrate systems via peel tests, and regulate their peeling behaviors by interface design.

薄膜剥离已广泛应用于附着力测量、薄膜转移和生物启发设计。以往的研究大多集中于薄膜从刚性基底上的剥离,但软基底在实际应用中也很常见。在此,我们提出了一个基于双线性内聚定律的二维模型来描述弹性薄膜从弹性软基底上的 90 度剥离,并获得了用切比雪夫数列表示的理论解。理论解与有限元法的结果(包括载荷-位移曲线和软基底的隆起变形)非常吻合。我们发现,随着基材模量的减小,最大剥离力(Pmax)减小,但稳态剥离力保持不变。利用本解决方案,可以同时从薄膜/软衬底系统的 90 度剥离实验中提取界面强度和断裂能,进而很好地预测不同薄膜厚度的实验测量 Pmax。此外,我们还得到了 Pmax 的新幂缩放定律,其中缩放指数取决于基底弹性。这些结果有助于我们通过剥离试验测量薄膜/软基底系统的界面特性,并通过界面设计调节其剥离行为。
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引用次数: 0
Cracking in semiconductor devices–effect of plasticity under triaxial constraint 三轴约束下的塑性对半导体器件开裂的影响
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-08 DOI: 10.1016/j.jmps.2024.105856
Sammy Hassan , Jyun-Lin Wu , Jason Lan , Sherwin Tang , Jun He , Joost J. Vlassak , Zhigang Suo

A semiconductor device integrates dissimilar materials of small sizes and complex geometries. During fabrication, the materials are deposited at various temperatures. Both deposition and change in temperature cause stresses in the materials. Under the stresses, ductile materials may deform plastically, and brittle materials may crack. Here we focus on how plastic deformation in the ductile materials affects cracking in nearby brittle materials. We study a model structure in which a metal line is encased by a silicon substrate and a brittle oxide layer. In the triaxially constrained metal, the stresses readily exceed the yield strength of the metal. Such high stresses in the metal elevate the stresses in the oxide. The degree of triaxial constraint varies with the aspect ratio of the metal. We compute the stress in the oxide, as well as the energy release rate of an edge crack and a long channel crack. We discuss strategies to avert cracking in the oxide.

半导体器件集成了尺寸小、几何形状复杂的不同材料。在制造过程中,材料在不同温度下沉积。沉积和温度变化都会在材料中产生应力。在应力作用下,韧性材料会发生塑性变形,而脆性材料则会开裂。在此,我们重点研究韧性材料的塑性变形如何影响附近脆性材料的开裂。我们研究了一个模型结构,其中金属线被硅衬底和脆性氧化层包裹。在三轴约束金属中,应力很容易超过金属的屈服强度。金属中的高应力提升了氧化物中的应力。三轴约束的程度随金属的长宽比而变化。我们计算了氧化物中的应力,以及边缘裂纹和长通道裂纹的能量释放率。我们讨论了避免氧化物开裂的策略。
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引用次数: 0
Self-consistent solution of the Frank–Bilby equation for interfaces containing disconnections 包含断开的界面的弗兰克-比尔比方程的自洽解
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-07 DOI: 10.1016/j.jmps.2024.105845
David B. Gordon, Ryan B. Sills

The quantized Frank–Bilby equation can be used to identify interfacial line defect array configurations which relax the misorientation and/or misfit of a coherent crystalline interface. These line defect arrays may be comprised of dislocations and/or disconnections, which are interfacial steps with dislocation character. When an interface contains disconnections, solution of the quantized Frank–Bilby equation is complicated by the fact that the habit plane orientation is not known in advance because it depends on the unknown spacing of the disconnection array. We present a root-finding-based method for addressing this issue, enabling a self-consistent solution for arbitrary defect content. Our method has been implemented in an open-source code which enumerates all possible solutions given a list of candidate line defects. Two cases are presented employing the code: a misoriented FCC twin boundary and an FCC/BCC phase boundary with the Nishiyama-Wasserman orientation relationship. Both cases exhibit more than 10,000 solutions to the Frank–Bilby equation, with several hundred solutions categorized as “low energy” and thus plausible configurations for the actual interface. The resulting set of solutions can be utilized to predict and understand the properties of a given interface.

量化的弗兰克-比尔比方程可用于识别界面线缺陷阵列配置,这些配置可放松相干晶体界面的错向和/或错配。这些线缺陷阵列可能由位错和/或断开连接组成,它们是具有位错特征的界面阶跃。当界面包含断开连接时,由于习性面方向取决于断开连接阵列的未知间距,因此无法预先知道,这使得量化弗兰克-比尔比方程的求解变得复杂。我们提出了一种基于寻根的方法来解决这一问题,从而实现任意缺陷含量的自洽求解。我们的方法已在一个开放源代码中实现,该代码可在给出候选线路缺陷列表的情况下枚举所有可能的解决方案。利用该代码介绍了两种情况:方向错误的 FCC 双边界和具有 Nishiyama-Wasserman 方向关系的 FCC/BCC 相边界。这两种情况都显示了弗兰克-比尔比方程的 10,000 多个解,其中几百个解被归类为 "低能 "解,因此是实际界面的合理配置。由此产生的解集可用于预测和了解特定界面的特性。
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引用次数: 0
Intrinsic interlayer shear strength of graphite 石墨的固有层间剪切强度
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-06 DOI: 10.1016/j.jmps.2024.105853
Yelingyi Wang , Shizhe Feng , Deli Peng , Tengfei Li , Cheng Zheng , Zubo Cai , Zhanghui Wu , Quanshui Zheng , Zhiping Xu

Graphite holds significant values in the energy and electronics industries due to its unique properties. As a quintessential example of highly anisotropic materials, the shear strength measures one of its most fundamental mechanical properties. However, the lack of ideal materials and testing methods has led to a wide dispersion in the reported values. To address this issue, we utilized epitaxially grown single-crystal graphite and developed a high-throughput sample preparation method, along with a novel loading technique in this work. The intrinsic shear strength of AB-stacked graphite was determined to be τs = 62 MPa, by excluding the size effect in measurements. The results are further compared to highly oriented pyrolytic graphite specimens processed down to nanoscale thickness, highlighting the adverse impact of twisted single-crystalline interfaces between the graphitic layers. Additionally, we observed a distinctive failure mechanism with continuous and uniform cascade plastic slips across the thickness of graphite samples, which corresponds to an interlayer shear strength approaching τs. The intrinsic shear strength characterized in our work sets an upper limit for the interlayer shear resistance of graphite. The experimental procedure for measuring shear strength can be applied to other van der Waals materials.

石墨因其独特的性能在能源和电子工业中具有重要价值。作为高各向异性材料的典型代表,剪切强度是其最基本的机械性能之一。然而,由于缺乏理想的材料和测试方法,导致所报告的数值差异很大。为了解决这个问题,我们利用外延生长的单晶石墨,开发了一种高通量样品制备方法,并在这项工作中采用了一种新颖的加载技术。通过排除测量中的尺寸效应,我们确定 AB 层叠石墨的本征剪切强度为 τs = 62 兆帕。我们还将测量结果与加工到纳米级厚度的高取向热解石墨试样进行了比较,从而突出了石墨层之间扭曲的单晶界面的不利影响。此外,我们还观察到一种独特的失效机制,即石墨试样在整个厚度范围内具有连续、均匀的级联塑性滑移,这与接近 τs 的层间剪切强度相对应。我们工作中表征的内在剪切强度为石墨的层间抗剪性设定了上限。测量剪切强度的实验程序可应用于其他范德华材料。
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引用次数: 0
Bulk and fracture process zone contribution to the rate-dependent adhesion amplification in viscoelastic broad-band materials 粘弹性宽带材料中的块体和断裂加工区对随速率变化的粘附放大的贡献
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-02 DOI: 10.1016/j.jmps.2024.105844
Ali Maghami , Qingao Wang , Michele Tricarico , Michele Ciavarella , Qunyang Li , Antonio Papangelo

The contact between a rigid Hertzian indenter and an adhesive broad-band viscoelastic substrate is considered. The material behavior is described by a modified power law model, which is characterized by only four parameters, the glassy and rubbery elastic moduli, a characteristic exponent n and a timescale τ0. The maximum adherence force that can be reached while unloading the rigid indenter from a relaxed viscoelastic half-space is studied by means of a numerical implementation based on the boundary element method, as a function of the unloading velocity, preload and by varying the broadness of the viscoelastic material spectrum. Through a comprehensive numerical analysis we have determined the minimum contact radius that is needed to achieve the maximum amplification of the pull-off force at a specified unloading rate and for different material exponents n. The numerical results are then compared with the prediction of Persson and Brener viscoelastic crack propagation theory, providing excellent agreement. However, comparison against experimental tests for a glass lens indenting a PDMS substrate shows data can be fitted with the linear theory only up to an unloading rate of about 100μm/s showing the fracture process zone rate-dependent contribution to the energy enhancement is of the same order of the bulk dissipation contribution. Hence, the limitations of the current numerical and theoretical models for viscoelastic adhesion are discussed in light of the most recent literature results.

研究考虑了刚性赫兹压头与粘性宽带粘弹性基底之间的接触。材料行为由修正的幂律模型描述,该模型只有四个参数,即玻璃和橡胶弹性模量、特征指数 n 和时标 τ0。通过基于边界元法的数值实施,研究了从松弛的粘弹性半空间对刚性压头进行卸载时可达到的最大附着力,该附着力是卸载速度、预载荷和改变粘弹性材料频谱宽度的函数。通过全面的数值分析,我们确定了在特定卸载速度和不同材料指数 n 下实现拉拔力最大放大所需的最小接触半径。然而,通过与玻璃透镜压入 PDMS 基底的实验测试进行比较,结果表明只有在卸载速率达到约 100μm/s 时,数据才能与线性理论相匹配,这表明断裂过程区速率对能量增强的贡献与体积耗散的贡献处于同一数量级。因此,我们根据最新的文献结果讨论了当前粘弹性粘附数值和理论模型的局限性。
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引用次数: 0
Instabilities in a two-dimensional granular fault gouge: Particle dynamics and stress fluctuations 二维粒状断层冲沟中的不稳定性:颗粒动力学和应力波动
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-01 DOI: 10.1016/j.jmps.2024.105843
Adyota Gupta , K.T. Ramesh , Ryan C. Hurley

Predicting stress fluctuations in granular media under steady-state shear loading is crucial for applications ranging from geophysical processes to construction engineering. Stress fluctuations emerge from particle rearrangement, usually enabled by frictional slip and force-chain buckling. Existing models used to predict stress fluctuations are largely phenomenological, often accounting for the force chain phenomena implicitly through the introduction of internal variables, or explicitly through assumptions of force chain mechanics. Improper consideration of particle mechanics or mesoscale effects can lead to inaccurate predictions of shear strength and instability, making it difficult to predict the onset of yielding, shear band formation, and other instabilities. Furthermore, while recent advancements in machine learning methods have established links between microscale behavior and macroscopic stress drops in granular fault gouges, their predictive capabilities are limited due to their black-box nature. To gain a deeper understanding of stress fluctuations, and ultimately predict them in a physics-informed manner, it is necessary to examine how system energetics change with stress fluctuations. In this paper, we analyze stress fluctuations in a 2D granular fault gouge loaded under quasistatic, steady-state shear. We track the flow of potential energy between force networks and understand how energy and force networks vary with stress rises and drops. We derive an analytical, dynamic force chain model from first principles to illustrate how interactions between force networks lead to the emergence of localized instability phenomena. Finally, we offer insights into how these localized instabilities ultimately enable shear stress fluctuations at the continuum scale.

预测稳态剪切加载下颗粒介质中的应力波动对于从地球物理过程到建筑工程等各种应用都至关重要。应力波动源于颗粒的重新排列,通常由摩擦滑移和力链屈曲引起。用于预测应力波动的现有模型大多是现象学模型,通常通过引入内部变量隐含地考虑力链现象,或通过力链力学假设明确地考虑力链现象。如果对粒子力学或中尺度效应考虑不周,就会导致对剪切强度和不稳定性的预测不准确,从而难以预测屈服的发生、剪切带的形成以及其他不稳定性。此外,虽然机器学习方法的最新进展已经建立了粒状断层破碎带中微观行为与宏观应力下降之间的联系,但由于其黑箱性质,其预测能力有限。为了更深入地了解应力波动,并最终以物理方式对其进行预测,有必要研究系统能量如何随应力波动而变化。在本文中,我们分析了在准静态、稳态剪切下加载的二维粒状断层破碎带中的应力波动。我们跟踪力网络之间的势能流动,了解能量和力网络如何随应力的升降而变化。我们从第一原理推导出一个动态力链分析模型,以说明力网络之间的相互作用如何导致局部不稳定现象的出现。最后,我们深入探讨了这些局部不稳定性如何最终导致连续尺度的剪应力波动。
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引用次数: 0
Strain fields and solitary strain waves as determining factors for the cross-sectional geometry of mouse incisor enamel 应变场和孤应变波是小鼠门牙珐琅质横截面几何形状的决定因素
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-31 DOI: 10.1016/j.jmps.2024.105840
Brian N Cox , Prashant K Purohit , Shane N. White
Dental enamel in the mouse incisor is the subject of one of the most detailed histological records of cell motion and action during the formation and shaping of any organ in any species. We use the rich data to test the hypothesis that the shape of the enamel body on a perpendicular cross-section of the long, sabre-like incisor can be predicted by assuming that the formative ameloblast cells respond to strain and strain-rate cues that inform individual cells of position and time. The strain field is generated when growth of the forming enamel stretches the ameloblast population. Simultaneously, the strain is relaxed by coherent wavy cell movements. We hypothesize that wave motion arises when cells maintain homeostasis in their area density, with the rate of their recovery from a density perturbation assumed proportional to the magnitude of the perturbation. Density homeostasis gives rise to a nonlinear wave equation, which results in solitary waves propagating within computed strain fields. We predict the final thickness of the enamel by assuming ameloblasts stop generating enamel after they experience a critical strain condition. The thickness profile vs position is correctly determined to within a constant factor, which is the unknown rate constant in the wave equation. When the rate constant is calibrated by the peak amplitude of the thickness profile, the commencement of enamel formation (the onset of ameloblast secretion) vs position is then also correctly predicted by the passage of solitary waves, implying that the strain jump within the solitary wave may be the trigger for the onset of secretion.
小鼠门齿的牙釉质是任何物种的任何器官在形成和塑形过程中细胞运动和作用的最详细的组织学记录之一。我们利用这些丰富的数据来验证一个假设,即假定形成期的釉母细胞会对应变和应变率线索做出反应,从而告知单个细胞位置和时间,那么就可以预测剑状长门牙垂直横截面上釉质体的形状。当形成中的釉质生长拉伸釉母细胞群时,就会产生应变场。与此同时,应变也会通过连贯的波浪状细胞运动得到放松。我们假设,当细胞保持其区域密度的平衡时就会产生波浪运动,而细胞从密度扰动中恢复的速度与扰动的大小成正比。密度平衡导致非线性波方程,从而产生在计算应变场内传播的孤波。我们假定釉母细胞在经历临界应变条件后停止生成釉质,从而预测釉质的最终厚度。厚度曲线与位置的关系在一个常数范围内被正确确定,这个常数就是波方程中的未知速率常数。当用厚度曲线的峰值振幅校准速率常数时,釉质形成的开始(釉母细胞分泌的开始)与位置的关系也能通过孤波正确预测,这意味着孤波中的应变跃变可能是分泌开始的触发因素。
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引用次数: 0
Rayleigh surface waves of extremal elastic materials 极弹性材料的瑞利表面波
IF 5 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-30 DOI: 10.1016/j.jmps.2024.105842
Yu Wei , Yi Chen , Wen Cheng , Xiaoning Liu , Gengkai Hu

Extremal elastic materials here refer to a specific class of elastic materials whose elastic matrices exhibit one or more zero eigenvalues, resulting in soft deformation modes that, in principle, cost no energy. They can be approximated through artificially designed solid microstructures. Extremal elastic materials have exotic bulk wave properties unavailable with conventional solids due to the soft modes, offering unprecedented opportunities for manipulating bulk waves, e.g., acting as phonon polarizers for elastic waves or invisibility cloaks for underwater acoustic waves. Despite their potential, Rayleigh surface waves, crucially linked to bulk wave behaviors of such extremal elastic materials, have largely remained unexplored so far. In this paper, we theoretically investigate the propagation of Rayleigh waves in extremal elastic materials based on continuum theory and verify our findings with designed microstructure metamaterials based on pantographic structures. Dispersion relations and polarizations of Rayleigh waves in extremal elastic materials are derived, and the impact of higher order gradient effects is also investigated by using strain gradient theory. This study provides a continuum model for exploring surface waves in extremal elastic materials and may stimulate applications of extremal elastic materials for controlling surface waves.

这里的极值弹性材料是指一类特定的弹性材料,其弹性矩阵显示出一个或多个零特征值,从而产生原则上不耗费能量的软变形模式。它们可以通过人工设计的固体微结构来近似。由于具有软模式,极弹性材料具有传统固体所不具备的奇特体波特性,为操纵体波提供了前所未有的机会,例如充当弹性波的声子偏振器或水下声波的隐形斗篷。尽管瑞利表面波具有很大的潜力,但它与这类极弹性材料的体波行为有着至关重要的联系,迄今为止在很大程度上仍未得到探索。在本文中,我们基于连续理论从理论上研究了瑞利波在极弹性材料中的传播,并用基于泛谱结构设计的微结构超材料验证了我们的发现。推导了极弹性材料中瑞利波的色散关系和极化,并利用应变梯度理论研究了高阶梯度效应的影响。这项研究为探索极弹性材料中的表面波提供了一个连续模型,并可能促进极弹性材料在控制表面波方面的应用。
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引用次数: 0
期刊
Journal of The Mechanics and Physics of Solids
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