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Optical penetration depth and periodic motion of a photomechanical strip 光电机械带的光学穿透深度和周期性运动
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1016/j.eml.2024.102244
Neda Maghsoodi , Kaushik Bhattacharya
Liquid crystal elastomers (LCEs) containing light-sensitive molecules exhibit large, reversible deformations when subjected to illumination. Here, we investigate the role of optical penetration depth on this photomechanical response. We present a model of the photomechanical behavior of photoactive LCE strips under illumination that goes beyond the common assumption of shallow penetration. This model reveals how the optical penetration depth and the consequent photomechanically induced deformation can depend on the concentration of photoactive molecules, their absorption cross-sections, and the intensity of illumination. Through a series of examples, we show that the penetration depth can quantitatively and qualitatively affect the photomechanical response of a strip. Shallow illumination leads to monotone curvature change while deep penetration can lead to non-monotone response with illumination duration. Further, the flapping behavior (a cyclic wave-like motion) of doubly clamped and buckled strips that has been proposed for locomotion can reverse direction with sufficiently large penetration depth. This opens the possibility of creating wireless light-driven photomechanical actuators and swimmers whose direction of motion can be controlled by light intensity and frequency.
含有光敏分子的液晶弹性体(LCE)在受到光照时会产生巨大的可逆变形。在此,我们研究了光穿透深度对这种光机械响应的作用。我们提出了光活性 LCE 带在光照下的光机械行为模型,该模型超越了浅穿透的常见假设。该模型揭示了光穿透深度以及由此引起的光机械变形如何取决于光活性分子的浓度、吸收截面和光照强度。通过一系列实例,我们表明穿透深度会对带材的光机械响应产生定量和定性影响。较浅的光照会导致单调的曲率变化,而较深的穿透则会随着光照时间的延长导致非单调的响应。此外,双夹紧和屈曲条带的拍打行为(循环波状运动)已被提出用于运动,在足够大的穿透深度下,这种拍打行为可以逆转方向。这为制造无线光驱动光机械致动器和游泳器提供了可能性,其运动方向可由光照强度和频率控制。
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引用次数: 0
Interfacial fatigue fracture of pressure sensitive adhesives 压敏粘合剂的界面疲劳断裂
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-16 DOI: 10.1016/j.eml.2024.102248
Yichen Wan , Qianfeng Yin , Ping Zhang , Canhui Yang , Ruobing Bai
Pressure sensitive adhesives (PSAs) are viscoelastic polymers that can form fast and robust adhesion with various adherends under fingertip pressure. The rapidly expanding application domain of PSAs, such as healthcare, wearable electronics, and flexible displays, requires PSAs to sustain prolonged loads throughout their lifetime, calling for fundamental studies on their fatigue behaviors. However, fatigue of PSAs has remained poorly investigated. Here we study interfacial fatigue fracture of PSAs, focusing on the cyclic interfacial crack propagation due to the gradual rupture of noncovalent bonds between a PSA and an adherend. We fabricate a model PSA made of a hysteresis-free poly(butyl acrylate) bulk elastomer dip-coated with a viscoelastic poly(butyl acrylate-co-isobornyl acrylate) sticky surface, both crosslinked by poly(ethylene glycol) diacrylate. We adhere the fabricated PSA to a polyester strip to form a bilayer. The bilayer is covered by another polyester film as an inextensible backing layer. Using cyclic and monotonic peeling tests, we characterize the interfacial fatigue and fracture behaviors of the bilayer. From the experimental data, we obtain the interfacial fatigue threshold (4.6 J/m2) under cyclic peeling, the slow crack threshold (33.9 J/m2) under monotonic peeling, and the adhesion toughness (∼ 400 J/m2) at a finite peeling speed. We develop a modified Lake-Thomas model to describe the interfacial fatigue threshold due to noncovalent bond breaking. The theoretical prediction (2.6 J/m2) agrees well with the experimental measurement (4.6 J/m2). Finally, we discuss possible additional dissipation mechanisms involved in the larger slow crack threshold and much larger adhesion toughness. It is hoped that this study will provide new fundamental knowledge for fracture mechanics of PSAs, as well as guidance for future tough and durable PSAs.
压敏胶(PSA)是一种粘弹性聚合物,可在指尖压力下与各种粘合剂形成快速而牢固的粘合。压敏胶的应用领域正在迅速扩大,如医疗保健、可穿戴电子设备和柔性显示器等,这就要求压敏胶在其整个使用寿命期间承受长时间的负载,从而要求对其疲劳行为进行基础研究。然而,对聚苯乙烯泡沫塑料疲劳的研究仍然很少。在此,我们研究了 PSA 的界面疲劳断裂,重点是 PSA 和粘合剂之间的非共价键逐渐断裂导致的周期性界面裂纹扩展。我们制作了一个模型 PSA,它由无滞后聚(丙烯酸丁酯)块状弹性体和粘弹性聚(丙烯酸丁酯-丙烯酸异冰片酯)粘性表面浸涂而成,两者均由聚(乙二醇)二丙烯酸酯交联。我们将制作好的 PSA 粘贴到聚酯条上,形成一个双层。双分子层由另一层聚酯薄膜覆盖,作为不可延伸的背层。通过循环和单调剥离试验,我们确定了双层膜的界面疲劳和断裂行为特征。根据实验数据,我们得到了循环剥离下的界面疲劳阈值(4.6 J/m2)、单调剥离下的慢速裂纹阈值(33.9 J/m2)以及有限剥离速度下的粘附韧性(∼ 400 J/m2)。我们建立了一个改进的 Lake-Thomas 模型来描述非共价键断裂导致的界面疲劳阈值。理论预测值(2.6 J/m2)与实验测量值(4.6 J/m2)非常吻合。最后,我们讨论了更大的慢速裂纹阈值和更大的粘附韧性可能涉及的其他耗散机制。希望本研究能为 PSAs 断裂力学提供新的基础知识,并为未来坚韧耐用的 PSAs 提供指导。
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引用次数: 0
Orientation-dependent deformation and failure of micropillar shape memory ceramics: A 3D phase-field study 微柱形状记忆陶瓷的定向变形和失效:三维相场研究
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-11 DOI: 10.1016/j.eml.2024.102245
Amirreza Lotfolahpour, Mohsen Asle Zaeem
Some microscopic samples of zirconia-based shape memory ceramics (SMCs) have shown full martensitic phase transformation (MPT) over multiple loading cycles without cracking. However, the occurrence of MPT is strongly influenced by grain orientation. Depending on the specific grain orientation relative to the loading direction, alternative mechanisms such as plastic slip and fracture may emerge. This study introduces a phase-field (PF) based framework that integrates a PF-MPT model, a PF fracture model, and a crystal viscoplasticity model to investigate the effects of grain orientation on MPT, plastic slip, and fracture mechanisms in SMC micropillars. Single crystal micropillars are created to distinguish the orientations that facilitate each mechanism. A wide range of grain orientations are found to predominantly exhibit MPT. Micropillars with grain orientations close to the (100) and (001) directions primarily experience fracture, with minimal plastic slip. Additionally, samples oriented along the (110) direction show a significant amount of plastic slip. A pole figure is constructed to elucidate the interplay between MPT, cracking, and plastic slip under compressive loading conditions. This research provides valuable insights into the intricate behavior of SMCs under different loading scenarios, crucial for optimizing their performance in practical applications.
一些氧化锆基形状记忆陶瓷(SMC)的微观样品在多次加载循环中显示出完全的马氏体相变(MPT),而不会产生裂纹。然而,马氏体相变的发生受晶粒取向的影响很大。根据相对于加载方向的特定晶粒取向,可能会出现塑性滑移和断裂等替代机制。本研究引入了一个基于相场(PF)的框架,该框架集成了 PF-MPT 模型、PF 断裂模型和晶体粘弹性模型,用于研究晶粒取向对 SMC 微柱中 MPT、塑性滑移和断裂机制的影响。创建单晶体微柱是为了区分有利于每种机制的取向。结果发现各种晶粒取向都主要表现出 MPT。晶粒取向接近(100)和(001)方向的微柱主要经历断裂,塑性滑移最小。此外,沿(110)方向取向的样品会出现大量塑性滑移。我们构建了一个极点图,以阐明在压缩加载条件下 MPT、开裂和塑性滑移之间的相互作用。这项研究为了解 SMC 在不同加载情况下的复杂行为提供了宝贵的见解,对优化其实际应用性能至关重要。
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引用次数: 0
Hopping potential wells and gait switching in a fish-like robot with a bistable tail 双稳态尾巴鱼形机器人的跳跃势阱和步态切换
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-11 DOI: 10.1016/j.eml.2024.102239
Prashanth Chivkula, Colin Rodwell, Phanindra Tallapragada
Fish outperform current underwater robots in speed, agility, and efficiency of locomotion, in part due to their flexible appendages that are capable of rich combinations of modes of motion. In fish-like robots, actuating many different modes of oscillation of tails or fins can become a challenge. This paper presents a highly underactuated (with a single actuator) fish-like robot with a bistable tail that features a double-well elastic potential. Oscillations of such a tail depend on the frequency and amplitude of excitation, and tuning the frequency–amplitude can produce controllable oscillations in different modes leading to different gaits of the robot. This robot design is inspired by recent work on underactuated flexible swimming robots driven by a single rotor. The oscillations of the rotor can propel and steer the robot, but saturation of the rotor makes performing long turns challenging. This paper demonstrates that by adding geometric bistability to the flexible tail, turns can be performed by controllably exciting single-well oscillations in the tail, while exciting double-well oscillations of the tail produces average straight-line motion. The findings of this paper go beyond the application to a narrow class of fish-like robots. More broadly we have demonstrated the use of periodic excitation to produce bistable response that generate different gaits including a steering gait. The mechanics demonstrated here show the feasibility of applications to other mobile soft robots.
鱼类在速度、灵活性和运动效率方面都优于目前的水下机器人,部分原因是它们灵活的附肢能够实现丰富的运动模式组合。在类鱼机器人中,驱动尾巴或鳍的多种不同摆动模式是一项挑战。本文介绍了一种具有双稳态尾部的高度欠驱动(单驱动)仿鱼机器人,其尾部具有双井弹性势能。这种鱼尾的振荡取决于激励的频率和振幅,调整频率和振幅可以产生不同模式的可控振荡,从而导致机器人的不同步态。这种机器人的设计灵感来自于最近关于由单个转子驱动的欠驱动柔性游泳机器人的研究。转子的振荡可以推动机器人并使其转向,但转子的饱和使得进行长距离转弯具有挑战性。本文证明,通过在柔性尾部添加几何双稳态,可以通过可控地激励尾部的单孔振荡来实现转弯,而激励尾部的双孔振荡则可以产生平均直线运动。本文的研究成果不仅适用于狭义的鱼形机器人。更广泛地说,我们已经展示了利用周期性激励产生双稳态响应,从而产生包括转向步态在内的不同步态。本文所展示的力学原理表明了应用于其他移动软体机器人的可行性。
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引用次数: 0
HyperCAN: Hypernetwork-driven deep parameterized constitutive models for metamaterials HyperCAN:超网络驱动的超材料深度参数化构成模型
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-11 DOI: 10.1016/j.eml.2024.102243
Li Zheng , Dennis M. Kochmann , Siddhant Kumar
We introduce HyperCAN, a machine learning framework that utilizes hypernetworks to construct adaptable constitutive artificial neural networks for a wide range of beam-based metamaterials exhibiting diverse mechanical behavior under finite deformations. HyperCAN integrates an input convex neural network that models the nonlinear stress–strain map of a truss lattice, while ensuring adherence to fundamental mechanics principles, along with a hypernetwork that dynamically adjusts the parameters of the convex network as a function of the lattice topology and geometry. This unified framework demonstrates robust generalization in predicting the mechanical behavior of previously unseen metamaterial designs and loading scenarios well beyond the training domain. We show how HyperCAN can be integrated into multiscale simulations to accurately capture the highly nonlinear responses of large-scale truss metamaterials, closely matching fully resolved simulations while significantly reducing computational costs. This offers new efficient opportunities for the multiscale design and optimization of truss metamaterials.
我们介绍的 HyperCAN 是一种机器学习框架,它利用超网络为各种基于梁的超材料构建适应性强的构成人工神经网络,这些超材料在有限变形条件下表现出不同的力学行为。HyperCAN 集成了一个输入凸神经网络和一个超网络,前者对桁架晶格的非线性应力应变图进行建模,同时确保遵循基本力学原理,后者可根据晶格拓扑结构和几何形状动态调整凸网络的参数。这个统一的框架在预测以前未曾见过的超材料设计和加载场景的力学行为方面表现出了强大的通用性,远远超出了训练领域。我们展示了如何将 HyperCAN 集成到多尺度模拟中,以准确捕捉大规模桁架超材料的高度非线性响应,从而与全解析模拟紧密匹配,同时显著降低计算成本。这为桁架超材料的多尺度设计和优化提供了新的高效机会。
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引用次数: 0
Electrothermally actuated network metamaterials with reconfigurable bending deformation modes 具有可重构弯曲变形模式的电热致动网络超材料
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-10 DOI: 10.1016/j.eml.2024.102241
Kai Zhang , Jinyu Ji , Xiao Kang , Xiaogang Guo
Reconfigurable metamaterials with specific deformation modes show great promise in applications such as multifunctional antenna, stretchable electronic device, and reconfigurable soft robot, due to their ability to achieve multiple operational states within a single system. Previous researches on active metamaterials with bending deformation responses revealed two main issues: (1) achieving reconfigurable deformation within the same metamaterial is challenging due to the reliance on uniform external field actuation; and (2) there is a lack of in-depth studies on the microstructure-property relationships for the bending deformation responses of network metamaterials due to the lack of theoretical analysis. To address these issues, this study presents a mechanical design strategy for an electrothermally actuated network metamaterials to realize reconfigurable bending deformation. A theoretical model describing the electrothermally actuated bending deformation responses is developed through a three-level analysis, which offers a comprehensive understanding of the parameter-property relationships and accurately describes the bending deformation behaviors. The validity of these mechanical models is confirmed through finite element analyses (FEAs) and experimental results. These mechanical models provide analytical solutions for crucial mechanical quantities, including the electrothermally actuated bending angles and effective strains for bending deformation responses. The bending behaviors of the reconfigurable metamaterials under electrothermal actuation can be adjusted by the key nondimensional geometric parameters and the actuation strategies. Additionally, experimental results and FE calculations demonstrate that multiple bending responses can be realized within a single metamaterial by different actuation strategies. This study offers comprehensive guideline from theoretical predictions, FE calculations, and experimental demonstrations for future researched of reconfigurable metamaterials to realize required deformation behaviors.
具有特定变形模式的可重构超材料由于能够在单个系统内实现多种工作状态,因此在多功能天线、可拉伸电子器件和可重构软机器人等应用领域大有可为。以往对具有弯曲变形响应的有源超材料的研究发现了两个主要问题:(1)由于依赖于均匀的外部场致动,在同一超材料内实现可重构变形具有挑战性;(2)由于缺乏理论分析,对网络超材料弯曲变形响应的微结构-属性关系缺乏深入研究。针对这些问题,本研究提出了一种电热致动网络超材料的力学设计策略,以实现可重构的弯曲变形。通过三层分析,建立了一个描述电热致动弯曲变形响应的理论模型,该模型提供了对参数-属性关系的全面理解,并准确地描述了弯曲变形行为。这些机械模型的有效性通过有限元分析和实验结果得到了证实。这些机械模型提供了关键机械量的分析解决方案,包括电热致动弯曲角度和弯曲变形响应的有效应变。可重构超材料在电热致动下的弯曲行为可通过关键的非尺寸几何参数和致动策略进行调整。此外,实验结果和有限元计算证明,通过不同的致动策略,可以在单一超材料中实现多种弯曲响应。本研究从理论预测、有限元计算和实验演示等方面为未来研究可重构超材料提供了全面指导,以实现所需的变形行为。
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引用次数: 0
Directional soft jumper by harnessing asymmetric snapping of a semi-open shell 利用半开放式外壳的非对称扣合,打造定向软质毛衣
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-09 DOI: 10.1016/j.eml.2024.102242
Min Li , Huikai Zhang , Wei Fang , Jian Wu , Xi-Qiao Feng
Precise control of the jumping direction and trajectory of soft robotics poses a challenge due to their large deformation and low stiffness. In this paper, we propose a pneumatic soft actuator consisting of an inward semi-spherical shell with a pre-existing T-shaped incision, which exhibits asymmetric snapping-through buckling under an increasing internal pressure. During the dynamic snapping, the shell deforms rapidly, resulting in an asymmetric, inclined impact with the ground. The impact force drives the soft actuator to jump in a controllable direction, and the adopted semi-open pneumatic system greatly improves the efficient utilization of air ejection energy. This design not only enhances the jumping performance, but also allows the control of the trajectory through adjusting the air pressure. Our experiments demonstrate that the actuator can achieve various jumping functions, for examples, to jump over obstacles of varying heights and depths, to execute rapid and continuous locomotion, and even to escape from a deep bottle. This work offers a paradigmatic idea for designing highly maneuverable and controllable soft robots.
由于软体机器人变形大、刚度低,因此对其跳跃方向和轨迹的精确控制是一项挑战。在本文中,我们提出了一种气动软执行器,它由一个向内的半球形壳体组成,壳体上有一个预先存在的 T 形切口,在内部压力增大的情况下,壳体会出现非对称的折叠屈曲。在动态折叠过程中,外壳迅速变形,从而与地面产生非对称的倾斜撞击。冲击力驱动软推杆向可控方向跳跃,采用的半开放式气动系统大大提高了空气弹射能量的有效利用率。这种设计不仅提高了跳跃性能,还可以通过调节气压来控制轨迹。我们的实验证明,该执行器可以实现各种跳跃功能,例如,跳跃不同高度和深度的障碍物,执行快速和连续的运动,甚至从深瓶中逃生。这项工作为设计高机动性和可控性的软体机器人提供了一个范例性的思路。
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引用次数: 0
The strength of an adhesive contact in the presence of interfacial defects 存在界面缺陷时的粘合接触强度
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-05 DOI: 10.1016/j.eml.2024.102238
Coby K. Jones , Jamie L. Hale , Helen K. Minsky , Jamie A. Booth
Adhesive contacts which possess a dominant stress concentration, such as at the contact edge in spherical junctions or at the detachment front in a peeling film, are well studied. More complex adhesive junction geometries, such as mushroom-shaped fibrils in bioinspired micropatterned dry adhesives, have exhibited a complex dependence of adhesive strength on the presence of interfacial defects within the contact. This has led to the emergence of statistical variation of the local behavior among micropatterned sub-contacts. In order to examine the interplay between geometry and interfacial defect character in control of the adhesive strength, the model system of a stiff cylindrical probe on an elastic layer is examined. Both experiments (glass on PDMS) and cohesive zone finite element simulations are performed, with analytical asymptotic limits also considered. The thickness of the elastic layer is varied to alter the interfacial stress distribution, with thinner layers having a reduced edge stress concentration at the expense of increased stress at the contact center. The size and position of manufactured interfacial defects is varied. It is observed that for the thickest substrates the edge stress concentration is dominant, with detachment propagating from this region regardless of the presence of an interfacial defect within the contact. Only very large center defects, with radius greater than half of that of the contact influence the adhesive strength. This transition is in agreement with analytical asymptotic limits. As the substrate is made thinner and the stress distribution changes, a strong decay in adhesive strength with increasing center defect radius emerges. For the thinnest substrate the flaw-insensitive upper bound is approached, suggesting that this decay is dominated by a reduction in the contact area. For penny-shaped defects at increasing radial positions, the adhesive strength for the thinnest substrates becomes non-monotonic. This confirms an intricate interplay between the geometry-controlled interfacial stress distribution and the size and position of interfacial defects in adhesive contacts, which will lead to statistical variation in strength when defects form due to surface roughness, fabrication imperfections, or contaminant particles.
对具有主要应力集中的粘合接触(如球形接合点的接触边缘或剥离薄膜的剥离前沿)进行了深入研究。更复杂的粘合剂接合几何形状,如生物微图案干粘合剂中的蘑菇状纤维,则显示出粘合强度与接触内界面缺陷存在的复杂关系。这导致微图案子接触之间的局部行为出现统计变化。为了研究几何形状和界面缺陷特性在控制粘合强度方面的相互作用,我们对弹性层上的刚性圆柱探针模型系统进行了研究。实验(PDMS 上的玻璃)和内聚区有限元模拟均已进行,同时还考虑了分析渐近极限。改变弹性层的厚度可改变界面应力分布,较薄的弹性层可减少边缘应力集中,但会增加接触中心的应力。制造的界面缺陷的大小和位置也有变化。观察发现,对于最厚的基底,边缘应力集中占主导地位,无论接触内部是否存在界面缺陷,脱离都会从这一区域传播。只有半径大于接触半径一半的超大中心缺陷才会影响粘合强度。这种转变与分析渐近极限一致。随着基底变薄和应力分布的变化,中心缺陷半径增大时粘合强度会出现强烈衰减。对于最薄的基板,缺陷敏感上限已经接近,这表明这种衰减主要是由接触面积的减少引起的。对于径向位置不断增大的便士形缺陷,最薄基板的粘合强度变得不单调。这证实了由几何形状控制的界面应力分布与粘合接触中界面缺陷的大小和位置之间错综复杂的相互作用,当缺陷因表面粗糙度、制造缺陷或污染物颗粒而形成时,将导致强度的统计变化。
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引用次数: 0
Tunable bandgaps in an elastic meta-plate with shape memory alloy springs 带形状记忆合金弹簧的弹性元板中的可调带隙
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-03 DOI: 10.1016/j.eml.2024.102240
Bingfei Liu , Ping Chen , Tong Zhu , Yan-Feng Wang
In this paper, a tunable metamaterial based on shape memory alloy springs is designed, which can achieve bandgap tuning by spring's unique shape memory effect. The variation mechanism of shear modulus and geometrical parameters of shape memory alloy springs is investigated by considering a detailed phase transition mechanism. For any specific temperatures, the energy band structure and frequency response spectrum of the metamaterial are calculated by numerical simulation. And the theoretical prediction models of bandgap boundary frequency and tuning range at different temperatures are established. The experimental test of vibration transmission of metamaterial is finally presented. The results show that (1) By varying the spring's shear modulus and height, the metamaterial exhibits excellent vibration isolation characteristics and bandgap tuning in low-frequency range of 124–226Hz. (2) The bandgap boundaries and tuning ranges can be predicted by the theoretical prediction model, which shows good agreement with both the simulation results and the experimental data. (3) By artificially designing shape memory alloy springs with larger shear modulus and wire radius, smaller helix radius and number of turns, the bandgap moves to higher frequencies. The current work can provide a reference for further engineering applications with the tunable elastic/acoustic metamaterials.
本文设计了一种基于形状记忆合金弹簧的可调谐超材料,利用弹簧独特的形状记忆效应实现带隙调谐。通过考虑详细的相变机制,研究了形状记忆合金弹簧的剪切模量和几何参数的变化机制。通过数值模拟计算了超材料在任意特定温度下的能带结构和频响谱。并建立了不同温度下带隙边界频率和调谐范围的理论预测模型。最后对超材料的振动传输进行了实验测试。结果表明:(1)通过改变弹簧的剪切模量和高度,超材料在 124-226Hz 的低频范围内表现出优异的隔振特性和带隙调谐能力。(2)带隙边界和调谐范围可通过理论预测模型进行预测,该模型与模拟结果和实验数据均显示出良好的一致性。(3) 通过人为设计剪切模量和线半径较大、螺旋半径和圈数较小的形状记忆合金弹簧,带隙向更高频率移动。目前的工作可为可调谐弹性/声学超材料的进一步工程应用提供参考。
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引用次数: 0
Recent advances in the integration of protein mechanics and machine learning 蛋白质力学与机器学习相结合的最新进展
IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-20 DOI: 10.1016/j.eml.2024.102236
Yen-Lin Chen , Shu-Wei Chang
Mechanics underlies protein properties and behavior. From a theoretical standpoint, it is possible to derive these based on physical rules. This is appealing because they provide insights into physiology and disease, as well as aid in protein engineering; however, the convoluted nature of the biological system and current computational speeds limit its feasibility. Machine learning (ML) architectures are known for their ability to make inferences on complex data, such as the relationship between protein mechanics, properties, and behavior. Substantial efforts have been made to learn such correlations in tasks such as the prediction of structure, stability, natural frequency, mechanical strength, folding rate, solubility, and function. Each of these properties is interconnected through protein mechanics, and it is not surprising that the methods used in these tasks overlap highly in model input and architecture. In this review, we evaluate ML methods for the seven aforementioned prediction tasks to identify current trends in ML research in the field of protein sciences, focusing on the input and model architecture of each method. A short overview of de novo protein design is also provided. Finally, we highlight trends in the application of ML methods in the field of protein science, as well as directions for future improvements.
力学是蛋白质特性和行为的基础。从理论角度看,可以根据物理规则推导出这些特性和行为。然而,生物系统的复杂性和当前的计算速度限制了其可行性。机器学习(ML)架构以其对复杂数据(如蛋白质力学、特性和行为之间的关系)进行推断的能力而著称。在预测结构、稳定性、固有频率、机械强度、折叠率、溶解度和功能等任务中,人们为学习这些相关性做出了巨大努力。这些特性中的每一个都通过蛋白质力学相互关联,因此这些任务中使用的方法在模型输入和结构上高度重叠也就不足为奇了。在这篇综述中,我们将评估上述七种预测任务的 ML 方法,以确定当前蛋白质科学领域的 ML 研究趋势,重点关注每种方法的输入和模型架构。此外,我们还简要介绍了全新蛋白质设计。最后,我们强调了蛋白质科学领域应用 ML 方法的趋势以及未来改进的方向。
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引用次数: 0
期刊
Extreme Mechanics Letters
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