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First-Principles Investigation of the Structural, Electronic, Vibrational, Elastic, and Piezoelectric Properties of Bulk InTe 块状铟的结构、电子、振动、弹性和压电性质的第一性原理研究
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-05-28 DOI: 10.1007/s10338-025-00611-x
Mounaim Bencheikh, Zakariae Darhi, Larbi El Farh

This study investigates the structural, electronic, vibrational, and mechanical properties of cubic InTe using density functional theory and density functional perturbation theory. The results reveal the metallic character of cubic InTe, as indicated by its electronic structure and density of states. The dynamic stability of the material is confirmed by phonon dispersion analysis, with no imaginary frequencies observed. The Debye temperature (172.276 K) and melting temperature (1092.832 K) suggest excellent thermal resistance. A shear modulus of 18.20 GPa, Poisson’s ratio of 0.343, and Pugh’s ratio ((B/G)) of 2.87 support mechanical stability and indicate ductility. Isotropic dielectric properties, with Born effective charges of −3.768 for both In and Te atoms, highlight potential ferroelectric applications. These findings emphasize InTe’s suitability for electronic and construction applications.

本研究利用密度泛函理论和密度泛函微扰理论研究立方钛的结构、电子、振动和力学性能。结果揭示了立方铟钛的金属特性,如其电子结构和态密度。通过声子色散分析证实了材料的动态稳定性,没有观察到虚频率。Debye温度(172.276 K)和熔融温度(1092.832 K)显示出优异的耐热性。剪切模量为18.20 GPa,泊松比为0.343,Pugh比((B/G))为2.87,保证了力学稳定性,表明了延性。In和Te原子的玻恩有效电荷均为−3.768,各向同性介电特性突出了铁电的潜在应用。这些发现强调了InTe在电子和建筑应用中的适用性。
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引用次数: 0
Friction Behaviors of Rough Line Contact Using Machine Learning-Assisted Finite Element Analysis 基于机器学习辅助有限元分析的粗线接触摩擦行为
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-05-28 DOI: 10.1007/s10338-025-00613-9
Shun Zhu, Yanwei Liu, Biao Zhao, Siyuan Zhang

Grinding technology is widely applied in the manufacturing and mechanical processing sectors. Different from conventional three-dimensional rough surface friction models, ground metals exhibit a striated surface morphology, which can be simplified as a two-dimensional plane strain friction issue. Due to surface morphology diversity and loading condition complexity, numerical modeling and experimental approaches have difficulty achieving rapid prediction of line-contact surface friction behavior. Therefore, this study innovatively proposes a hybrid physics-data-driven model integrating finite element analysis (FEA) with machine learning (ML), enabling efficient and accurate prediction of line-contact friction behavior on two-dimensional rough surfaces. An extensive friction behavior database was generated through finite element simulations. Based on this dataset, the random forest (RF) algorithm was used to achieve high-precision prediction of the friction coefficient. Furthermore, a comprehensive analysis was performed on the effects of surface roughness, normal load, yield strength, and local friction coefficient on friction behavior. The RF model exhibits excellent performance in predicting friction coefficients and also accurately identifies the most influential features governing friction behavior. Residual analysis further verifies our model’s reliability, as the RF predictions agree with the FEA results, demonstrating remarkable adaptability and accuracy. Feature importance analysis results reveal that the local friction coefficient and normal load are the main factors influencing friction behavior, but the surface roughness and yield strength exhibit a relatively minor influence. The study innovatively identifies the coupling effects of key parameters through contour maps. Namely, the influence of local friction coefficient decreases with increasing normal load but becomes significantly more pronounced with elevated material yield strength. By integrating ML, our proposed model maintains the high accuracy of FEA while capturing the complexity of interfacial responses through data-driven approaches. Our study advances traditional tribological research from “experience-driven” to “data-intelligence-driven,” thus providing novel insights for understanding and predicting complex friction behaviors, as well as for optimizing frictional design in engineering applications.

磨削技术广泛应用于制造业和机械加工领域。与传统的三维粗糙表面摩擦模型不同,磨削金属表面形貌呈条纹状,可简化为二维平面应变摩擦问题。由于表面形貌的多样性和加载条件的复杂性,数值模拟和实验方法难以实现线接触表面摩擦行为的快速预测。因此,本研究创新性地提出了一种将有限元分析(FEA)与机器学习(ML)相结合的混合物理-数据驱动模型,能够高效准确地预测二维粗糙表面上的线接触摩擦行为。通过有限元仿真,建立了广泛的摩擦行为数据库。在此基础上,采用随机森林(RF)算法实现摩擦系数的高精度预测。此外,还综合分析了表面粗糙度、法向载荷、屈服强度和局部摩擦系数对摩擦行为的影响。RF模型在预测摩擦系数方面表现出优异的性能,并能准确识别控制摩擦行为的最具影响力的特征。残差分析进一步验证了模型的可靠性,射频预测结果与有限元分析结果一致,具有较好的适应性和准确性。特征重要性分析结果表明,局部摩擦系数和法向载荷是影响摩擦行为的主要因素,而表面粗糙度和屈服强度的影响相对较小。创新地通过等高线图识别关键参数的耦合效应。即,局部摩擦系数的影响随法向载荷的增加而减小,但随材料屈服强度的提高而显著增强。通过集成机器学习,我们提出的模型保持了有限元分析的高精度,同时通过数据驱动的方法捕获界面响应的复杂性。我们的研究将传统的摩擦学研究从“经验驱动”推进到“数据智能驱动”,从而为理解和预测复杂的摩擦行为以及优化工程应用中的摩擦设计提供了新的见解。
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引用次数: 0
Isogeometric Shell Analysis of Multi-sided CAD Geometries Using Toric Surfaces 基于环面的多面CAD几何图形等几何壳分析
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-05-26 DOI: 10.1007/s10338-024-00573-6
Hanhan Chai, Xuefeng Zhu, Zikang Yang, An Xi, Chunhui Yang, Xiangkui Zhang, Ping Hu

To address the challenges associated with multi-sided shells in traditional isogeometric analysis (IGA), this paper introduces a novel isogeometric shell method for trimmed CAD geometries based on toric surfaces and Reissner–Mindlin shell theory. By utilizing toric surface patches, both trimmed and untrimmed elements of the CAD surfaces are represented through a unified geometric framework, ensuring continuity and an accurate geometric description. Toric-Bernstein basis functions are employed to accurately interpolate the geometry and displacement of the trimmed shell. For singularities and corner points on the toric surface, the normal vector is defined as the unit directional vector from the center of curvature to the corresponding control point. Several numerical examples of polygonal shells are presented to evaluate the effectiveness and robustness of the proposed method. This approach significantly simplifies the treatment of trimmed shell IGA and provides a promising solution for simulating complex shell structures with intricate boundaries.

为了解决传统等几何分析(IGA)中与多面壳相关的挑战,本文介绍了一种基于环面和Reissner-Mindlin壳理论的等几何壳方法。通过利用环形表面补丁,CAD表面的修剪和未修剪元素都通过统一的几何框架表示,确保了连续性和精确的几何描述。利用托利克-伯恩斯坦基函数精确地插值了被修整壳体的几何形状和位移。对于圆环表面上的奇点和角点,法向量定义为从曲率中心到相应控制点的单位方向向量。给出了若干多边形壳的数值算例,验证了该方法的有效性和鲁棒性。该方法大大简化了修整壳IGA的处理,为模拟具有复杂边界的复杂壳结构提供了一种有希望的解决方案。
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引用次数: 0
Surface Elasticity Effects on Rigid Indenter: Thin Elastic Beam Contact Mechanics 刚性压头的表面弹性效应:薄弹性梁接触力学
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-05-19 DOI: 10.1007/s10338-025-00608-6
Ting Yang, Liyuan Wang, Dongxia Lei, Zhiying Ou

This paper presents a novel surface model based on the Gurtin–Murdoch theory and Kerr-type differential relations, which is established and numerically simulated. By employing the principles of equivalent force and mechanical equilibrium, a differential equation for the contact pressure-deflection relationship between a rigid indenter and an elastic thin beam is derived. The study investigates pressure distribution within the contact area and deformation patterns outside this region. The relationship between indentation parameters is analyzed from two perspectives: clamped and simply-supported boundaries, with a detailed comparison to classical cases. The findings reveal that the normalized contact pressure and load–displacement relationship of elastic thin beams are influenced not only by the half-width ratio and indentation depth but also by the material’s surface elasticity. Similar to classical contact scenarios, an increase in surface elasticity leads to the separation of the indenter from the beam’s center when the contact half-width exceeds a certain threshold (e.g., a ratio of 4 to the beam thickness). This results in a negative normalized contact pressure and the formation of two independent, symmetric contact strips. Notably, the relationship between displacement and contact half-width remains largely unaffected by surface elasticity, aligning with classical indentation contact results. The methodology and outcomes of this research provide a foundation for analyzing the structures and properties of nanostructured materials, offer insights for the design of future nanostructured devices, and present innovative approaches to addressing practical engineering challenges.

本文提出了一种基于Gurtin-Murdoch理论和kerr型微分关系的曲面模型,并对其进行了数值模拟。利用等效力和力学平衡原理,推导了刚性压头与弹性细梁接触压力-挠度关系的微分方程。该研究调查了接触区域内的压力分布和该区域外的变形模式。从夹紧边界和简支边界两个角度分析了缩进参数之间的关系,并与经典案例进行了详细对比。结果表明,弹性薄梁的归一化接触压力和载荷-位移关系不仅受半宽比和压痕深度的影响,还受材料表面弹性的影响。与经典接触场景类似,当接触半宽度超过一定阈值(例如,与梁厚的比率为4)时,表面弹性的增加导致压头与梁中心分离。这导致负归一化接触压力和形成两个独立的,对称的接触带。值得注意的是,位移和接触半宽度之间的关系在很大程度上不受表面弹性的影响,与经典压痕接触结果一致。本研究的方法和成果为分析纳米结构材料的结构和性质提供了基础,为未来纳米结构器件的设计提供了见解,并提出了解决实际工程挑战的创新方法。
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引用次数: 0
A Numerical Scheme for Crack Reconstruction in Tubes by Signals of Array Eddy Current Testing Probe 阵列涡流检测探头信号重构管道裂纹的数值格式
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-05-07 DOI: 10.1007/s10338-025-00604-w
Wei Guo, Yingsong Zhao, Mengling Yang, Shejuan Xie, Zhenmao Chen

In pressurized nuclear power plants, metallic tubes such as steam generator (SG) tubes are subject to complex mechanical and environmental loads that can lead to crack initiation and propagation. Evaluating the structural integrity of SG tubes requires non-destructive assessment of crack size and location. Current inversion schemes can determine crack shape but lack position information, and reconstruction using a single coil has low efficiency. While array probes improve defect detection, reconstruction research based on array signals is challenging due to the complexity of processing multiple sets of signals. This study proposes a simple and effective array reconstruction scheme utilizing signals from two adjacent coils near the crack, enabling simultaneous determination of both crack shape and location through interpolation techniques. Numerical results validate this new crack sizing method, showing accurate reconstruction of both size and location.

在加压核电站中,蒸汽发生器(SG)管等金属管受到复杂的机械和环境载荷,可能导致裂纹的产生和扩展。评估SG管的结构完整性需要对裂纹尺寸和位置进行无损评估。现有的反演方法可以确定裂纹的形状,但缺乏位置信息,而且利用单线圈重构的效率较低。虽然阵列探头改善了缺陷检测,但由于处理多组信号的复杂性,基于阵列信号的重构研究具有挑战性。本研究提出了一种简单有效的阵列重建方案,利用裂缝附近两个相邻线圈的信号,通过插值技术同时确定裂缝的形状和位置。数值结果验证了该方法的有效性,对裂纹的尺寸和位置都有较好的重构。
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引用次数: 0
Preface to the “Mechanics of Batteries and Fuel Cells” Special Issue of Acta Mechanica Solida Sinica 《固体力学学报》专刊“电池与燃料电池力学”前言
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-05-05 DOI: 10.1007/s10338-025-00610-y
Rong Xu, Zheng Zhong
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引用次数: 0
Crushing Analysis of Novel Bionic Multi-cell Double Corrugated Tube Under Axial Loading 新型仿生多孔双波纹管轴向载荷破碎分析
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-04-28 DOI: 10.1007/s10338-025-00609-5
Rui Liang, Qinghang Shi, Longdeng Liu, Wangjie Tuo, Chipeng Qin, Christophe Bastien, Deyun Mo

Multi-cell structures and corrugated tubes illustrate excellent energy absorption capacities. Besides, bamboo with continuously changing contours demonstrates superior impact-resisting capacities. As a result, a bionic multi-cell double corrugated (BMDC) tube, inspired by Buddha bamboo, is investigated to assess whether it is an ideal energy absorber candidate. Compared to a corrugated tube, a BMDC contains an outer structure, an inner structure, and diaphragms, which are like webs bridging the inner and outer structures. A basic numerical model is correlated using a physical experiment, followed by an investigation of BMDC tubes’ energy absorption performance under axial loading, considering thickness and mass effects. Results indicate that the EA, MCF, and SEA of a BMDC containing 5 diaphragms (BMDC-5) with a 1.5 mm thickness can improve their respective responses by 112.89, 112.89, and 83.32% higher compared to a BMDC with no diaphragm (BMDC-0). In addition, the BMDC-5 with 0.156 kg mass generates the highest EA, MCF, and SEA, which is 79.78% higher than a BMDC-0 with the same mass. The parametric analysis illustrates that diaphragms’ amplitude and diameter have a decisive influence on energy absorption characteristics. This study emphasizes that BMDC tubes are innovative and practical, possessing excellent energy absorption performance.

多电池结构和波纹管表现出优异的能量吸收能力。此外,具有连续变化轮廓的竹子具有较好的抗冲击能力。因此,以佛竹为灵感,对仿生多细胞双波纹管(BMDC)进行了研究,以评估其是否是理想的能量吸收材料。与波纹管相比,波纹管由外结构、内结构和隔膜组成,隔膜就像腹板一样连接着内外结构。通过物理实验建立了基本的数值模型,并在此基础上研究了考虑厚度和质量效应的轴向载荷作用下BMDC管的吸能性能。结果表明,与不含膜片的BMDC (BMDC-0)相比,含5个膜片厚度为1.5 mm的BMDC (BMDC-5)的EA、MCF和SEA分别提高了112.89、112.89和83.32%。此外,质量为0.156 kg的BMDC-5产生的EA、MCF和SEA最高,比相同质量的BMDC-0高79.78%。参数分析表明,隔膜的振幅和直径对吸能特性有决定性的影响。本研究强调BMDC管具有创新性和实用性,具有优异的吸能性能。
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引用次数: 0
Target Identification Method for the Damage Detection of Composite Laminates 复合材料层合板损伤检测的目标识别方法
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-04-10 DOI: 10.1007/s10338-025-00607-7
Kan Feng, Yu Yao, Rong Li, Xu Hu, Zheng Li

The advantages of guided wave detection, such as its ability to propagate over long distances and penetrate deeply, have led to its application in the field of anisotropic damage detection in carbon fiber-reinforced polymer (CFRP). Due to the anisotropy of CFRP, traditional guided wave-based detection methods have difficulty in precisely locating the defect. In this study, we proposed a novel deep learning-based detection method for CFRP by employing image recognition technology for guided wave field inspection. This method is capable of rapidly and accurately extracting defective features from the structure, thereby facilitating precise damage identification. To avoid time-consuming sample data generation by simulation for CFRP, the steady-state guided wave field of the aluminum plates was simulated instead. The isotropic wave field data were then stretched and applied for neural network training.

导波检测具有长距离传播和深度穿透等优点,使其在碳纤维增强聚合物(CFRP)的各向异性损伤检测领域得到了广泛的应用。由于碳纤维布的各向异性,传统的导波检测方法难以精确定位缺陷。在这项研究中,我们提出了一种新的基于深度学习的CFRP检测方法,该方法采用图像识别技术进行导波场检测。该方法能够快速准确地提取结构的缺陷特征,从而便于精确的损伤识别。为避免模拟CFRP试样数据生成时间过长,对铝板的稳态导波场进行模拟。然后将各向同性波场数据进行拉伸并应用于神经网络训练。
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引用次数: 0
Nonreciprocal Rotating Waves of Odd Elastic Circular Plates 奇弹性圆板的非倒易旋转波
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-04-10 DOI: 10.1007/s10338-025-00606-8
Andi Lai, Kai Wu, Jiawei Zhou, Yuhang Li, Guo Fu

Odd elasticity introduces active moduli to the antisymmetric components of the elastic tensor, which describe the asymmetric coupling between different deformation modes in a medium and quantify the work extracted during quasi-static strain cycles. The introduction of active moduli renders the elastic tensor non-Hermitian, breaking the Maxwell-Betti reciprocity and enabling the observation of phenomena that cannot occur in traditional passive media. Here, we develop an analytical dynamic model for odd elastic circular plates to investigate the effects of odd elasticity on motion in rotationally symmetric geometries. We report a novel nonreciprocal rotating wave and explore the effects of different odd elastic moduli on chiral deformation. Nonreciprocal rotating waves represent a distinct dynamic mode, exhibiting unidirectional propagation with amplitude increasing or decreasing exclusively along a specific direction. The amplitude change during motion reveals the system’s non-conservation of energy.

奇弹性在弹性张量的反对称分量中引入主动模量,描述了介质中不同变形模式之间的不对称耦合,量化了准静态应变循环中提取的功。有源模的引入使得弹性张量变为非厄米量,打破了麦克斯韦-贝蒂互易性,从而能够观察到在传统被动介质中无法发生的现象。本文建立了奇弹性圆板的解析动力学模型,研究了奇弹性对旋转对称几何运动的影响。本文报道了一种新的非倒易旋转波,并探讨了不同奇弹性模量对手性变形的影响。非倒易旋转波表现出一种独特的动态模式,表现出单向传播,振幅只沿特定方向增减。运动过程中的振幅变化揭示了系统的能量不守恒。
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引用次数: 0
Impact of Surface Microstructures on Diffusion-Induced Stress in Lithium-Ion Battery Electrodes: A Mechanical-Chemical Coupling Study 表面微观结构对锂离子电池电极扩散诱导应力的影响:机械-化学耦合研究
IF 2.7 3区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-04-10 DOI: 10.1007/s10338-024-00570-9
Shuo Zhao, Jindong Hao, Liuli Zhang, Hai Liu, Liyang Lin, Cuihua An, Qibo Deng

The Lithium-ion deintercalation induces a significant volume change in battery electrodes during charging and discharging processes, which in turn generates a large diffusion-induced stress (DIS). This stress can cause microstructural damage, consequently degrading battery performance. This work simplifies the particles making up the electrode into spheres and studies the impact of the surface microstructure on the distribution of diffusion-induced stress. A mechanical-chemical coupling model was established to study the DIS in secondary particles, which were constructed by adding convex particles to the ball-shaped particle surfaces of the electrode material. It is observed that an increase in the number of convex particles results in a higher concentration of lithium ions within the electrode material, along with the first principal stresses within the material particles. In addition, the convex particles increase the local stresses around the ball-shaped particle surface. Therefore, a round surface on the electrode material particles is beneficial for preventing potential fractures.

锂离子脱嵌导致电池电极在充放电过程中产生较大的体积变化,从而产生较大的扩散诱导应力(diffusion induced stress, DIS)。这种应力会导致微结构损伤,从而降低电池性能。本工作将构成电极的颗粒简化为球体,并研究了表面微观结构对扩散诱导应力分布的影响。通过在电极材料的球形颗粒表面添加凸颗粒,建立了二次颗粒的力学-化学耦合模型,研究了二次颗粒的DIS。可以观察到,凸颗粒数量的增加导致电极材料内锂离子浓度的升高,以及材料颗粒内的第一主应力。此外,凸颗粒增加了球形颗粒表面周围的局部应力。因此,电极材料颗粒表面呈圆形有利于防止潜在的断裂。
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引用次数: 0
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