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Data-driven continuum damage mechanics with built-in physics 数据驱动的连续破坏力学,内置物理特性
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-10 DOI: 10.1016/j.eml.2024.102220
Vahidullah Tac , Ellen Kuhl , Adrian Buganza Tepole

Soft materials such as rubbers and soft tissues often undergo large deformations and experience damage degradation that impairs their function. This energy dissipation mechanism can be described in a thermodynamically consistent framework known as continuum damage mechanics. Recently, data-driven methods have been developed to capture complex material behaviors with unmatched accuracy due to the high flexibility of deep learning architectures. Initial efforts focused on hyperelastic materials, and recent advances now offer the ability to satisfy physics constraints such as polyconvexity of the strain energy density function by default. However, modeling inelastic behavior with deep learning architectures and built-in physics has remained challenging. Here we show that neural ordinary differential equations (NODEs), which we used previously to model arbitrary hyperelastic materials with automatic polyconvexity, can be extended to model energy dissipation in a thermodynamically consistent way by introducing an inelastic potential: a monotonic yield function. We demonstrate the inherent flexibility of our network architecture in terms of different damage models proposed in the literature. Our results suggest that our NODEs re-discover the true damage function from synthetic stress-deformation history data. In addition, they can accurately characterize experimental skin and subcutaneous tissue data.

橡胶和软组织等软性材料经常会发生大变形,并出现损伤退化,从而影响其功能。这种能量耗散机制可以在热力学一致的框架中进行描述,即连续损伤力学。最近,由于深度学习架构的高度灵活性,人们开发了数据驱动方法,以无与伦比的精度捕捉复杂的材料行为。最初的努力集中在超弹性材料上,而最近的进步则提供了满足物理约束的能力,例如默认情况下应变能量密度函数的多凸性。然而,利用深度学习架构和内置物理学建模非弹性行为仍然具有挑战性。在这里,我们展示了神经常微分方程(NODEs),我们以前用它来模拟任意超弹性材料,并自动实现多凸性,现在通过引入非弹性势能:单调屈服函数,可以扩展到以热力学一致的方式模拟能量耗散。我们根据文献中提出的不同损伤模型,展示了我们网络架构的内在灵活性。结果表明,我们的 NODE 可以从合成应力-变形历史数据中重新发现真实的损伤函数。此外,它们还能准确描述实验皮肤和皮下组织数据的特征。
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引用次数: 0
Edge-selective reconfiguration in polarized lattices with magnet-enabled bistability 具有磁致双稳态性的极化晶格中的边缘选择性重构
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-10 DOI: 10.1016/j.eml.2024.102217
Luca Iorio , Raffaele Ardito , Stefano Gonella

The signature topological feature of Maxwell lattices is their polarization, which manifests as an unbalance in stiffness between opposite edges of a finite domain. The manifestation of this asymmetry is especially dramatic in the case of soft lattices undergoing large nonlinear deformation under concentrated loads, where the excess of softness at the soft edge can result in the activation of sharp indentations. This study explores how this mechanical dichotomy between edges can be tuned and possibly extremized by working with soft magneto-mechanical metamaterials. The magneto-mechanical coupling is obtained by endowing the lattice sites with permanent magnets, which activate a network of magnetic forces that can interact with – either augmenting or competing with – the elasticity of the material. Specifically, under sufficiently large deformation that macroscopically alters the equilibrium positions of the sites, the attractive forces between the magnets can trigger bistable reconfiguration mechanisms. The strength of such mechanisms depends on the landscapes of elastic reaction forces exhibited by the edges, which are different due to the polarization, and is therefore inherently edge-selective. We show that, on the soft edge, the addition of magnets simply enhances the softness of the edge. In contrast, on the stiff edge, the magnets activate snapping mechanisms that locally reconfigure the cells and produce a lattice response reminiscent of plasticity, characterized by residual deformation that persists upon unloading.

麦克斯韦晶格的标志性拓扑特征是极化,表现为有限域相对边缘之间的刚度不平衡。当软晶格在集中载荷作用下发生较大的非线性变形时,这种不对称的表现尤为明显,软边缘的过软会导致尖锐压痕的产生。本研究探讨了如何通过使用软磁机械超材料来调整边缘之间的这种机械二分法,并可能将其极端化。磁-机械耦合是通过在晶格位点赋予永磁体来实现的,永磁体可激活磁力网络,与材料的弹性相互作用--或增强或竞争。具体来说,当发生足够大的变形,从宏观上改变了晶格位点的平衡位置时,磁体之间的吸引力就会触发双稳态重构机制。这种机制的强度取决于边缘所表现出的弹性反作用力的地貌,这些地貌因极化而不同,因此具有固有的边缘选择性。我们的研究表明,在软边缘上,磁铁的加入只是增强了边缘的软度。与此相反,在坚硬的边缘,磁铁激活了局部重构细胞的折断机制,并产生一种类似于塑性的晶格反应,其特点是卸载后仍存在残余变形。
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引用次数: 0
Plastic deformation and recovery in ultrathin aluminosilicate glass 超薄硅酸铝玻璃的塑性变形和恢复
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-05 DOI: 10.1016/j.eml.2024.102219
Lufeng Xue , Jiaxuan Wang , Jianbiao Wang , Haihui Ruan

Glass was generally considered to be brittle, and its applications were significantly limited by its vulnerability to fracture caused by deformation. The folding tests with ultrathin glass (UTG) conducted in this work illustrate that glass can also deform plastically and generate permanent creases on a macroscopic level. Moreover, the plastic deformation can gradually and partially recover at room temperature and the level of recovery can be inhibited by a longer holding time or through repeated loading. Based on the experimental observation, a phenomenological model is established to predict the plastic behavior of the concerned glass and we further discuss the possible cause of plastic deformation and its recovery and the potential applications.

玻璃通常被认为是脆性材料,由于容易因变形而断裂,其应用受到很大限制。这项工作中进行的超薄玻璃(UTG)折叠试验表明,玻璃也能发生塑性变形,并在宏观上产生永久性折痕。此外,塑性变形可在室温下逐渐部分恢复,恢复程度可通过延长保持时间或重复加载来抑制。根据实验观察结果,我们建立了一个现象学模型来预测相关玻璃的塑性行为,并进一步讨论了塑性变形及其恢复的可能原因和潜在应用。
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引用次数: 0
Unconventional fatigue failure of densified wood 致密木材的非常规疲劳失效
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-05 DOI: 10.1016/j.eml.2024.102218
Bo Chen , Qiongyu Chen , Ulrich H. Leiste , Yu Liu , Taotao Meng , Jiaqi Dai , Amy Gong , Liangbing Hu , William L. Fourney , Teng Li

Fatigue is a critical failure mechanism in various materials, often leading to catastrophic consequences. Designing materials with non-catastrophic fatigue failure is desirable yet challenging. This work presents the remarkable fatigue behavior of densified wood, exhibiting both a higher fatigue strength and non-catastrophic failure compared to natural wood. The improved bonding between wood fibers, primarily through hydrogen bonds, enables robust structural integrity even after fatigue failure. This mechanistic understanding offers insights for achieving non-catastrophic fatigue failure in diverse materials, presenting a fundamental principle for material design with broad implications.

疲劳是各种材料的关键失效机制,往往会导致灾难性后果。设计具有非灾难性疲劳失效的材料是可取的,但也是具有挑战性的。与天然木材相比,这项工作展示了致密化木材的显著疲劳行为,它同时表现出更高的疲劳强度和非灾难性失效。木纤维之间主要通过氢键提高了粘合力,即使在疲劳失效后也能保持结构的稳健性。对这一机理的理解为在各种材料中实现非灾难性疲劳失效提供了启示,为材料设计提供了一个具有广泛影响的基本原理。
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引用次数: 0
Determining plastic slips in rate-independent crystal plasticity models through machine learning algorithms 通过机器学习算法确定与速率无关的晶体塑性模型中的塑性滑移
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-07-30 DOI: 10.1016/j.eml.2024.102216
Zhiwen Wang , Xianjia Chen , Jici Wen , Yujie Wei

Dislocation slip-based crystal plasticity models have been a great success in connecting the fundamental physics with the macroscopic deformation of crystalline materials. Pioneered by Taylor in his work on “plastic strain in metals” (Taylor, 1938), and further advanced by Bishop and Hill (1951a, 1951b), the Taylor–Bishop–Hill theory laid the foundation of today’s constitutive models on crystal plasticity. An intriguing part of those modeling is to determine the active slip systems—which system to be involved in and how much it contributes to the deformation. In this paper, we developed a machine learning-based algorithm to determine accurately and efficiently the active slip systems in crystal plasticity constitutive models. Applications to the common three polycrystalline metals, face-centered cubic (FCC) copper, body-centered cubic (BCC) α-iron, and hexagonal close-packed (HCP) AZ31B, demonstrate that even a simple neural network could give rise to accurate and efficient results in comparing with traditional routines. There seems to be plenty of space for further reducing the computation time and hence scaling up the simulating samples.

基于位错滑移的晶体塑性模型在将基础物理学与晶体材料的宏观变形联系起来方面取得了巨大成功。泰勒在他的 "金属塑性应变"(Taylor,1938 年)研究中首创了泰勒-毕晓普-希尔理论(Taylor-Bishop-Hill theory),毕晓普和希尔(Bishop and Hill,1951a, 1951b)进一步推进了这一理论,为今天的晶体塑性构造模型奠定了基础。这些模型中一个引人入胜的部分是确定活动滑移系统--哪个系统参与其中以及它对变形的贡献程度。在本文中,我们开发了一种基于机器学习的算法,用于准确高效地确定晶体塑性组成模型中的主动滑移系统。该算法应用于常见的三种多晶金属--面心立方(FCC)铜、体心立方(BCC)α-铁和六方紧密堆积(HCP)AZ31B,结果表明,与传统方法相比,即使是简单的神经网络也能得出准确高效的结果。在进一步缩短计算时间,从而扩大模拟样本的规模方面,似乎还有很大的空间。
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引用次数: 0
Fracture of Ti3C2-TiO2 atomically thin films Ti3C2-TiO2 原子薄膜的断裂
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-07-26 DOI: 10.1016/j.eml.2024.102211
Jianyu Dai, Congjie Wei, Chenglin Wu

MXene exhibits outstanding electrical conductivity, but its susceptibility to oxidation can impede its conductivity potential. While there is extensive research on the electrical, mechanical properties, and fracture behavior of pure MXene, the exploration of the oxidized MXene is rare, especially for the commonly observed Ti3C2-TiO2 mixtures. In this study, we conducted molecular dynamics (MD) and Density Functional Theory (DFT) approaches and, for the first time, discovered three stable crystal structures of pure MXene with attached TiO2 layers: Loose, Comb, and Tight. For each of these structures, we investigated the anisotropic mechanical and fracture behaviors based on two loading scenarios: ribbon and pre-cracked single layers. The results indicate that the anisotropic behavior is predominantly manifested in Loose and Tight structures. The structural asymmetry of Comb results in a larger and evolving cohesive zone. The direction of the TiO2 layer-MXene interface bonds influences the material's strength, with the Tight structure exhibiting the highest resistance to fracture.

MXene 具有出色的导电性,但其易氧化性会阻碍其导电潜力。虽然对纯 MXene 的电气、机械性能和断裂行为进行了广泛的研究,但对氧化 MXene 的研究却很少,尤其是对常见的 Ti3C2-TiO2 混合物的研究。在这项研究中,我们采用分子动力学(MD)和密度泛函理论(DFT)方法,首次发现了附着有 TiO2 层的纯 MXene 的三种稳定晶体结构:松散型、梳状型和紧密型。针对每种结构,我们研究了基于两种加载情况的各向异性机械和断裂行为:带状和预裂纹单层。结果表明,各向异性行为主要体现在松散和紧密结构中。Comb 结构的不对称性导致了更大且不断发展的内聚区。二氧化钛层-二甲苯界面键的方向影响材料的强度,Tight 结构表现出最高的抗断裂性。
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引用次数: 0
Periodic tetrahedral auxetic metamaterial 周期性四面体辅助超材料
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-07-26 DOI: 10.1016/j.eml.2024.102214
A. Sorrentino, D. Castagnetti

In this work, we introduce a novel three-dimensional auxetic mechanical metamaterial consisting of rotating tetrahedra connected by ideal hinges at their vertices, arranged to form a periodic framework structure. Through analytical and kinematic approaches, we evaluated the deformation behavior of the proposed idealized model, revealing Poisson’s ratios ranging between −0.36 and −2.72 and a transverse isotropic response as a result of its geometry. A specimen of the proposed metamaterial concept is designed by introducing deformable ribs between the solid units, and fabricated via additive manufacturing in polymeric material. Auxetic behavior of the prototype was assessed through a compression test and accurately predicted by a full-scale Finite Element model. We envisage that this new metamaterial design can have a significant impact on a wide range of engineering applications, particularly as bone substitute biomaterial.

在这项工作中,我们介绍了一种新型三维辅助机械超材料,它由旋转四面体组成,四面体的顶点通过理想铰链连接,排列成周期性框架结构。通过分析和运动学方法,我们评估了所提出的理想化模型的变形行为,发现泊松比在 -0.36 和 -2.72 之间,并且由于其几何形状而具有横向各向同性响应。通过在实体单元之间引入可变形的肋条,设计出了拟议超材料概念的试样,并通过聚合物材料添加剂制造工艺制成。通过压缩试验评估了原型的辅助行为,并通过全尺寸有限元模型进行了精确预测。我们预计,这种新型超材料设计将对广泛的工程应用产生重大影响,尤其是作为骨替代生物材料。
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引用次数: 0
Minimal activation with maximal reach: Reachability clouds of bio-inspired slender manipulators 最小激活,最大触及:生物启发细长机械手的可达性云图
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-07-25 DOI: 10.1016/j.eml.2024.102207
Bartosz Kaczmarski , Derek E. Moulton , Alain Goriely , Ellen Kuhl

In the field of soft robotics, flexibility, adaptability, and functionality define a new era of robotic systems that can safely deform, reach, and grasp. To optimize the design of soft robotic systems, it is critical to understand their configuration space and full range of motion across a wide variety of design parameters. Here we integrate extreme mechanics and soft robotics to provide quantitative insights into the design of bio-inspired soft slender manipulators using the concept of reachability clouds. For a minimal three-actuator design inspired by the elephant trunk, we establish an efficient and robust reduced-order method to generate reachability clouds of almost half a million points each to visualize the accessible workspace of a wide variety of manipulator designs. We generate an atlas of 256 reachability clouds by systematically varying the key design parameters including the fiber count, revolution, tapering angle, and activation magnitude. Our results demonstrate that reachability clouds not only offer an immediately clear perspective into the inverse problem of control, but also introduce powerful metrics to characterize reachable volumes, unreachable regions, and actuator redundancy to quantify the performance of soft slender robots.

在软体机器人领域,灵活性、适应性和功能性决定了机器人系统的新时代,它可以安全地变形、伸手和抓取。要优化软机器人系统的设计,关键是要了解其配置空间和各种设计参数下的全部运动范围。在这里,我们将极限力学和软机器人学结合起来,利用可触及性云的概念,为生物启发的柔软细长机械手的设计提供定量见解。对于受大象躯干启发的最小三触动器设计,我们建立了一种高效、稳健的降阶方法,生成每个触动器有近 50 万个点的可达性云,以可视化各种机械手设计的可达工作空间。我们通过系统地改变关键设计参数,包括纤维数、旋转度、锥角和激活幅度,生成了包含 256 个可达性云的图集。我们的研究结果表明,可达性云不仅为控制的逆问题提供了一个一目了然的视角,而且还引入了强大的指标来描述可达体积、不可达区域和致动器冗余,从而量化软体细长机器人的性能。
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引用次数: 0
Role of friction and geometry in tuning the bending stiffness of topologically interlocking materials 摩擦力和几何形状在调整拓扑交错材料弯曲刚度中的作用
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-07-25 DOI: 10.1016/j.eml.2024.102212
Tracy Lu , Ziran Zhou , Punnathat Bordeenithikasem , Norman Chung , Diana Frias Franco , Jose E. Andrade , Chiara Daraio

Topologically interlocking material (TIM) systems offer adjustable bending stiffness controlled by external pre-stress, as shown in previous studies. This study focuses on a specific TIM system comprised of truncated tetrahedral particles interconnected via tensioned wires. The fabrication process involves weaving nylon wires through 3D printed truncated tetrahedrons that have longitudinal and latitudinal through-holes. By varying the tension applied to the wires, one can systematically control the overall bending stiffness of the TIM system. We change the surface friction and the contact angle between adjacent particles at a fixed wire tension, to study experimentally how they affect the system’s bending response. We inform experiments with Level Set Discrete Element Method (LS-DEM) simulations, to correlate surface friction and contact area changes with the system’s bending modulus. The numerical model is shown to be predictive and could be used in the future to evaluate designs of TIMs.

拓扑互锁材料(TIM)系统可通过外部预应力控制可调弯曲刚度,这一点已在之前的研究中有所体现。本研究的重点是一种特定的 TIM 系统,该系统由通过张力线相互连接的截顶四面体颗粒组成。制造过程包括将尼龙丝编织进具有纵向和纬向通孔的 3D 打印截顶四面体中。通过改变施加在金属丝上的张力,可以系统地控制 TIM 系统的整体弯曲刚度。我们改变了固定导线张力下相邻颗粒之间的表面摩擦力和接触角,通过实验研究它们如何影响系统的弯曲响应。我们将实验与水平集离散元素法 (LS-DEM) 模拟相结合,将表面摩擦和接触面积的变化与系统的弯曲模量联系起来。结果表明,该数值模型具有预测性,将来可用于评估 TIM 的设计。
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引用次数: 0
Palmitoylation enhances short polar peptide permeation across stratum corneum lipid bilayer: A molecular dynamics study 棕榈酰化可增强短极性肽在角质层脂质双分子层中的渗透:分子动力学研究
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-07-23 DOI: 10.1016/j.eml.2024.102213
Choon-Peng Chng , Lu Zhang , Shikhar Gupta , Changjin Huang

Designing chemical molecules that target the skin for non-invasive transdermal drug delivery is of significant interest for both wound healing and skincare applications. These skin-targeting molecules must permeate the outermost protective layer of the skin, the stratum corneum (SC), which consists of dead corneocytes embedded in a lipid matrix, to fulfill their biological functions. Adsorption onto and diffusion through the lipid matrix in the SC represent two key steps for the successful permeation of a skin-targeting molecule across the SC into the underlying skin layers. Here we compare the effects of cyclization and palmitoylation on the adsorption and diffusion of a short polar peptide across a model SC lipid bilayer using molecular dynamics simulations. The cyclized peptide showed slightly better binding to the SC lipid bilayer and similar interaction energies with SC lipids compared to the unmodified peptide. In contrast, the palmitoylated peptide exhibited much stronger interaction with SC lipids via insertion of its attached fatty acid tail into the SC lipid bilayer. The average diffusivity of the cyclized peptide across the SC lipid bilayer was approximately twice that of the unmodified peptide, whereas the palmitoylated peptide’s diffusivity was about 2.7 times higher. Thus, palmitoylation appears to be a promising strategy for enhancing the binding and permeability of short polar peptides across the SC lipid matrix.

设计能靶向皮肤进行非侵入性透皮给药的化学分子对伤口愈合和护肤应用都具有重大意义。这些皮肤靶向分子必须渗透皮肤最外层的保护层--角质层(SC),才能发挥其生物功能。吸附在角质层脂质基质上并通过其扩散是皮肤靶向分子成功穿过角质层渗透到皮肤底层的两个关键步骤。在这里,我们利用分子动力学模拟比较了环化和棕榈酰化对短极性肽在模型皮层脂质双分子层中吸附和扩散的影响。与未修饰的多肽相比,环化多肽与SC脂质双分子层的结合力稍好,与SC脂质的相互作用能也相似。相比之下,棕榈酰化肽通过其附着的脂肪酸尾插入 SC 脂质双分子层,与 SC 脂质的相互作用要强得多。环化肽在SC脂质双分子层中的平均扩散率约为未修饰肽的两倍,而棕榈酰化肽的扩散率约为未修饰肽的2.7倍。因此,棕榈酰化似乎是增强短极性肽在SC脂质基质中的结合力和渗透性的一种有前途的策略。
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引用次数: 0
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Extreme Mechanics Letters
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