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Optimizing machine learning yield functions using query-by-committee for support vector classification with a dynamic stopping criterion 利用查询委员会优化机器学习收益函数,实现支持向量分类的动态停止标准
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-02-12 DOI: 10.1007/s00466-023-02440-6
Ronak Shoghi, Lukas Morand, Dirk Helm, Alexander Hartmaier

In the field of materials engineering, the accurate prediction of material behavior under various loading conditions is crucial. Machine Learning (ML) methods have emerged as promising tools for generating constitutive models straight from data, capable of describing complex material behavior in a more flexible way than classical constitutive models. Yield functions, which serve as foundation of constitutive models for plasticity, can be properly described in a data-oriented manner using ML methods. However, the quality of these descriptions heavily relies on the availability of sufficient high-quality and representative training data that needs to be generated by fundamental numerical simulations, experiments, or a combination of both. The present paper addresses the issue of data selection, by introducing an active learning approach for Support Vector Classification (SVC) and its application in training an ML yield function with suitable data. In this regard, the Query-By-Committee (QBC) algorithm was employed, guiding the selection of new training data points in regions of the feature space where a committee of models shows significant disagreement. This approach resulted in a marked reduction in the variance of model predictions throughout the active learning process. It was also shown that the rate of decrease in the variance went along with an increase in the quality of the trained model, quantified by the Matthews Correlation Coefficient (MCC). This demonstrated the effectiveness of the approach and offered us the possibility to define a dynamic stopping criterion based on the variance in the committee results.

在材料工程领域,准确预测各种加载条件下的材料行为至关重要。机器学习(ML)方法已成为从数据中直接生成构成模型的有效工具,能够以比经典构成模型更灵活的方式描述复杂的材料行为。屈服函数是塑性构造模型的基础,可以使用 ML 方法以数据为导向的方式对其进行正确描述。然而,这些描述的质量在很大程度上取决于是否有足够的高质量、有代表性的训练数据,这些数据需要通过基本的数值模拟、实验或两者的结合来生成。本文针对数据选择问题,介绍了支持向量分类(SVC)的主动学习方法,并将其应用于使用合适数据训练 ML 收益函数。在这方面,采用了 "委员会查询"(QBC)算法,指导在模型委员会显示出明显分歧的特征空间区域选择新的训练数据点。这种方法显著降低了整个主动学习过程中模型预测的方差。研究还表明,方差降低的同时,训练模型的质量也在提高,这可以通过马修斯相关系数(MCC)来量化。这证明了该方法的有效性,并为我们提供了根据委员会结果的方差定义动态停止标准的可能性。
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引用次数: 0
A numerical framework based on localizing gradient damage methodology for high cycle fatigue crack growth simulations 基于局部梯度损伤方法的高循环疲劳裂纹生长模拟数值框架
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-02-12 DOI: 10.1007/s00466-023-02439-z

Abstract

Standard non-local gradient damage methodology for fatigue analysis has an intrinsic drawback of unusual widening of the damage zone. This causes a rapid growth of crack in the simulations which often violate experimental evidences. In order to tackle this undesirable behaviour, the localizing gradient damage methodology has been formulated for high cycle fatigue crack growth simulations. The framework comprises of coupling damage and elasticity through continuum mechanics, a fatigue damage law and an interaction function which reduces the influence of damaged regions on the surrounding locality. The present scheme prevents the spurious widening of the damage-band around the critically damaged area and therefore the non-physical growth of fatigue crack in the simulations is successfully countered. The developed framework is tested on various standard specimens under mode-I and mixed-mode high cycle fatigue loads. Nonlinear finite element analysis is used for this purpose. The discretized form of solver equations for the localizing framework is mathematically derived. Numerical examples show that the simulated crack-growth curves using proposed localizing framework agree closely with the experimental data and has a higher accuracy than the standard non-local framework.

摘要 用于疲劳分析的标准非局部梯度损伤方法有一个固有的缺点,即损伤区异常扩大。这会导致模拟中裂纹的快速增长,而这往往与实验证据相悖。为了解决这种不良行为,我们制定了用于高循环疲劳裂纹增长模拟的局部梯度损伤方法。该框架包括通过连续介质力学将损伤和弹性耦合、疲劳损伤规律和交互函数(可降低损伤区域对周围局部的影响)。本方案可防止严重受损区域周围的损伤带出现虚假扩大,因此可成功应对模拟中疲劳裂纹的非物理增长。在模式 I 和混合模式高循环疲劳载荷下,在各种标准试样上对所开发的框架进行了测试。为此采用了非线性有限元分析。从数学角度推导出了局部化框架求解方程的离散形式。数值实例表明,使用所提出的局部化框架模拟的裂纹生长曲线与实验数据非常吻合,而且比标准的非局部化框架具有更高的精度。
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引用次数: 0
Construction of A-stable explicit last-stage diagonal implicit Runge–Kutta (ELDIRK) methods 构建 A 级稳定的显式末级对角隐式 Runge-Kutta (ELDIRK) 方法
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-02-05 DOI: 10.1007/s00466-024-02442-y
Rolf Mahnken, Hendrik Westermann

ELDIRK methods are defined to have an Explicit Last stage in the general Butcher array of Diagonal Implicit Runge-Kutta methods, with the consequence, that no additional system of equations must be solved, compared to the embedded RK method. Two general formulations for second- and third-order ELDIRK methods have been obtained recently in Mahnken [21] with specific schemes, e.g. for the embedded implicit Euler method, the embedded trapezoidal-rule and the embedded Ellsiepen method. In the first part of this paper, we investigate some general stability characteristics of ELDIRK methods, and it will be shown that the above specific RK schemes are not A-stable. Therefore, in the second part, the above-mentioned general formulations are used for further stability investigations, with the aim to construct new second- and third-order ELDIRK methods which simultaneously are A-stable. Two numerical examples are concerned with the curing for a thermosetting material and phase-field RVE modeling for crystallinity and orientation. The numerical results confirm the theoretical results on convergence order and stability.

ELDIRK 方法的定义是在对角隐式 Runge-Kutta 方法的一般 Butcher 阵列中具有一个显式最后阶段,因此与嵌入式 RK 方法相比,无需求解额外的方程组。Mahnken [21]最近获得了二阶和三阶 ELDIRK 方法的两个一般公式和具体方案,例如嵌入式隐式欧拉方法、嵌入式梯形规则和嵌入式 Ellsiepen 方法。在本文的第一部分,我们研究了 ELDIRK 方法的一些一般稳定性特征,并将证明上述特定 RK 方案不是 A 稳定的。因此,在第二部分中,我们将利用上述一般公式进行进一步的稳定性研究,旨在构建同时具有 A 稳定性的新的二阶和三阶 ELDIRK 方法。两个数值实例涉及一种热固性材料的固化以及结晶度和取向的相场 RVE 建模。数值结果证实了收敛阶次和稳定性方面的理论结果。
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引用次数: 0
A Hu-Washizu variational approach to self-stabilized quadrilateral Virtual Elements: 2D linear elastodynamics 自稳定四边形虚拟元素的 Hu-Washizu 变分法:二维线性弹性动力学
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-02-04 DOI: 10.1007/s00466-023-02438-0

Abstract

A recent mixed formulation of the Virtual Element Method in 2D elastostatics, based on the Hu-Washizu variational principle, is here extended to 2D elastodynamics. The independent modeling of the strain field, allowed by the mixed formulation, is exploited to derive first order quadrilateral Virtual Elements (VEs) not requiring a stabilization (namely, self-stabilized VEs), in contrast to the standard VEs, where an artificial stabilization is always required for first order quads. Lumped mass matrices are derived using a novel approach, based on an integration scheme that makes use of nodal values only, preserving the correct mass in the case of rigid-body modes. In the case of implicit time integration, it is shown how the combination of a self-stabilized stiffness matrix with a self-stabilized lumped mass matrix can produce excellent performances both in the compressible and quasi-incompressible regimes with almost negligible sensitivity to element distortion. Finally, in the case of explicit dynamics, the performances of the different types of derived VEs are analyzed in terms of their critical time-step size.

摘要 基于Hu-Washizu变分原理的二维弹性力学中虚拟元素法的最新混合公式在此被扩展到二维弹性力学中。混合公式允许应变场的独立建模,利用这种独立建模可以推导出不需要稳定化的一阶四边形虚拟元素(VE)(即自稳定虚拟元素),与标准虚拟元素相反,一阶四边形虚拟元素总是需要人工稳定化。我们采用一种新方法导出了集合质量矩阵,该方法基于一种仅使用节点值的积分方案,在刚体模态情况下保留了正确的质量。在隐式时间积分的情况下,演示了自稳定刚度矩阵与自稳定块状质量矩阵的结合如何在可压缩和准不可压缩状态下产生出色的性能,对元素变形的敏感性几乎可以忽略不计。最后,在显式动力学情况下,根据临界时间步长分析了不同类型衍生 VE 的性能。
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引用次数: 0
A FETI B-differentiable equation method for elastic frictional contact problem with nonconforming mesh 针对不符合网格的弹性摩擦接触问题的 FETI B 微分方程方法
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-02-03 DOI: 10.1007/s00466-023-02402-y
Zhao Yin, Zhiqiang Hu, Hangduo Gao, Gao Lin

In this study, a novel approach is proposed by integrating the finite element tearing and interconnecting (FETI) method into the B-differentiable equations (BDEs) method for the analysis of 3D elastic frictional contact problem with small deformations. The contact blocks are divided into several nonoverlapping substructures with nonconforming meshes on the contact surface and the interface between two adjacent substructures. The enforcement of contact conditions and interface continuity conditions is achieved by using dual Lagrange multipliers discretized on the slave surface, typically defined with fine meshes. The modified Boolean transformation matrix is utilized to convert the contact stress into the equivalent nodal force. For large-scale elastic contact problems, the equilibrium equations for substructures and the relationship between the relative displacements and contact stresses on the contact surfaces and interfaces (i.e., the contact flexibility matrix) are efficiently computed using the FETI method. Subsequently, the governing equations consisting of the contact equations, interface continuity equations, and equilibrium equations for each floating substructure are uniformly formulated as the BDEs. These BDEs can be solved using the B-differentiable damped Newton method (BDNM). The proposed method harnesses the parallel scalability of the FETI method and extends the applicability of the BDEs algorithm, benefiting from its ability to precisely satisfy the contact constraints and theoretically ensure convergence when solving large-scale contact problems. The Hilber/Hughes/Taylor (HHT) time integration scheme is employed to investigate elastic dynamic contact problems. Numerical examples demonstrate the accuracy, convergence rate, and parallel scalability of the proposed algorithm.

本研究提出了一种新方法,将有限元撕裂和互连(FETI)方法集成到 B 微分方程(BDEs)方法中,用于分析具有微小变形的三维弹性摩擦接触问题。接触块被划分为多个不重叠的子结构,接触面和相邻两个子结构之间的界面上有不符合网格。接触条件和界面连续性条件是通过在从表面上离散化的双拉格朗日乘法器来实现的,通常使用细网格来定义。修正布尔变换矩阵用于将接触应力转换为等效节点力。对于大尺度弹性接触问题,可使用 FETI 方法高效计算子结构的平衡方程以及接触面和界面上的相对位移和接触应力之间的关系(即接触弹性矩阵)。随后,由每个浮动子结构的接触方程、界面连续性方程和平衡方程组成的控制方程被统一表述为 BDE。这些 BDE 可使用 B 微分阻尼牛顿法(BDNM)求解。所提出的方法利用了 FETI 方法的并行可扩展性,并扩展了 BDEs 算法的适用性,在解决大规模接触问题时能够精确满足接触约束条件并从理论上确保收敛性。在研究弹性动态接触问题时,采用了 Hilber/Hughes/Taylor (HHT) 时间积分方案。数值示例证明了所提算法的准确性、收敛速度和并行可扩展性。
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引用次数: 0
Fluid–structure interaction modeling with nonmatching interface discretizations for compressible flow problems: simulating aircraft tail buffeting 利用非匹配界面离散法为可压缩流问题建立流固耦合模型:模拟飞机尾翼缓冲作用
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-02-01 DOI: 10.1007/s00466-023-02436-2
Manoj R. Rajanna, Monu Jaiswal, Emily L. Johnson, Ning Liu, Artem Korobenko, Yuri Bazilevs, Jim Lua, Nam Phan, Ming-Chen Hsu

Many aerospace applications involve complex multiphysics in compressible flow regimes that are challenging to model and analyze. Fluid–structure interaction (FSI) simulations offer a promising approach to effectively examine these complex systems. In this work, a fully coupled FSI formulation for compressible flows is summarized. The formulation is developed based on an augmented Lagrangian approach and is capable of handling problems that involve nonmatching fluid–structure interface discretizations. The fluid is modeled with a stabilized finite element method for the Navier–Stokes equations of compressible flows and is coupled to the structure formulated using isogeometric Kirchhoff–Love shells. To solve the fully coupled system, a block-iterative approach is used. To demonstrate the framework’s effectiveness for modeling industrial-scale applications, the FSI methodology is applied to the NASA Common Research Model (CRM) aircraft to study buffeting phenomena by performing an aircraft pitching simulation based on a prescribed time-dependent angle of attack.

许多航空航天应用涉及可压缩流动状态下的复杂多物理场,建模和分析都具有挑战性。流固耦合(FSI)模拟为有效研究这些复杂系统提供了一种可行的方法。本研究总结了针对可压缩流动的全耦合 FSI 公式。该公式是基于增强拉格朗日方法开发的,能够处理涉及非匹配流固界面离散的问题。流体采用稳定有限元法对可压缩流的 Navier-Stokes 方程进行建模,并与采用等几何基尔霍夫-洛夫壳的结构进行耦合。为了求解完全耦合的系统,采用了分块迭代法。为了证明该框架在工业规模应用建模方面的有效性,将 FSI 方法应用于 NASA 通用研究模型(CRM)飞机,根据规定的随时间变化的攻角进行飞机俯仰模拟,研究缓冲现象。
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引用次数: 0
An enhanced corotational Virtual Element Method for large displacements in plane elasticity 平面弹性大位移的增强型冠向虚拟元素法
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-01-13 DOI: 10.1007/s00466-023-02437-1
Marco Nale, Cristina Gatta, Daniela Addessi, Elena Benvenuti, Elio Sacco

An enhanced virtual element formulation for large displacement analyses is presented. Relying on the corotational approach, the nonlinear geometric effects are introduced by assuming nodal large displacements but small strains in the element. The element deformable behavior is analyzed with reference to the local system, corotating with the element during its motion. Then, the large displacement-induced nonlinearity is accounted for through the transformation matrices relating the local and global quantities. At the local level, the Virtual Element Method is adopted, proposing an enhanced procedure for strain interpolation within the element. The reliability of the proposed approach is explored through several benchmark tests by comparing the results with those evaluated by standard virtual elements, finite element formulations, and analytical solutions. The results prove that: (i) the corotational formulation can be efficiently used within the virtual element framework to account for geometric nonlinearity in the presence of large displacements and small strains; (ii) the adoption of enhanced polynomial approximation for the strain field in the virtual element avoids, in many cases, the need for ad-hoc stabilization procedures also in the nonlinear geometric framework.

本文提出了一种用于大位移分析的增强型虚拟元素公式。通过假定节点大位移但元素中的应变较小,利用相关性方法引入了非线性几何效应。在分析元素的可变形行为时,参考了元素运动过程中与之相关的局部系统。然后,通过局部量和全局量之间的转换矩阵来考虑大位移引起的非线性。在局部层面,采用了虚拟元素法,提出了元素内部应变插值的增强程序。通过与标准虚拟元素、有限元公式和分析解决方案评估的结果进行比较,通过几个基准测试探索了所建议方法的可靠性。结果证明(i) 可以在虚拟元素框架内有效地使用相关公式,以考虑存在大位移和小应变时的几何非线性;(ii) 在虚拟元素中对应变场采用增强多项式近似,在许多情况下可避免在非线性几何框架中采用临时稳定程序。
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引用次数: 0
Deep learning in computational mechanics: a review 计算力学中的深度学习:综述
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-01-13 DOI: 10.1007/s00466-023-02434-4
Leon Herrmann, Stefan Kollmannsberger

The rapid growth of deep learning research, including within the field of computational mechanics, has resulted in an extensive and diverse body of literature. To help researchers identify key concepts and promising methodologies within this field, we provide an overview of deep learning in deterministic computational mechanics. Five main categories are identified and explored: simulation substitution, simulation enhancement, discretizations as neural networks, generative approaches, and deep reinforcement learning. This review focuses on deep learning methods rather than applications for computational mechanics, thereby enabling researchers to explore this field more effectively. As such, the review is not necessarily aimed at researchers with extensive knowledge of deep learning—instead, the primary audience is researchers on the verge of entering this field or those attempting to gain an overview of deep learning in computational mechanics. The discussed concepts are, therefore, explained as simple as possible.

深度学习研究(包括计算力学领域的研究)的快速发展产生了大量不同的文献。为了帮助研究人员识别该领域的关键概念和有前途的方法,我们概述了确定性计算力学中的深度学习。我们确定并探讨了五个主要类别:模拟替代、模拟增强、离散化作为神经网络、生成方法和深度强化学习。本综述侧重于深度学习方法,而不是计算力学的应用,从而使研究人员能够更有效地探索这一领域。因此,这篇综述并不一定面向对深度学习有广泛了解的研究人员--相反,主要读者是即将进入这一领域的研究人员或试图获得深度学习在计算力学中的概述的研究人员。因此,本文对所讨论的概念进行了尽可能简单的解释。
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引用次数: 0
Data-driven physics-constrained recurrent neural networks for multiscale damage modeling of metallic alloys with process-induced porosity 数据驱动的物理约束递归神经网络,用于对具有加工诱导孔隙率的金属合金进行多尺度损伤建模
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-01-11 DOI: 10.1007/s00466-023-02429-1
Shiguang Deng, Shirin Hosseinmardi, Libo Wang, Diran Apelian, Ramin Bostanabad

Computational modeling of heterogeneous materials is increasingly relying on multiscale simulations which typically leverage the homogenization theory for scale coupling. Such simulations are prohibitively expensive and memory-intensive especially when modeling damage and fracture in large 3D components such as cast metallic alloys. To address these challenges, we develop a physics-constrained deep learning model that surrogates the microscale simulations. We build this model within a mechanistic data-driven framework such that it accurately predicts the effective microstructural responses under irreversible elasto-plastic hardening and softening deformations. To achieve high accuracy while reducing the reliance on labeled data, we design the architecture of our deep learning model based on damage mechanics and introduce a new loss component that increases the thermodynamical consistency of the model. We use mechanistic reduced-order models to generate the training data of the deep learning model and demonstrate that, in addition to achieving high accuracy on unseen deformation paths that include severe softening, our model can be embedded in 3D multiscale simulations with fracture. With this embedding, we also demonstrate that state-of-the-art techniques such as teacher forcing result in deep learning models that cause divergence in multiscale simulations. Our numerical experiments indicate that our model is more accurate than pure data-driven models and is much more efficient than mechanistic reduced-order models.

异质材料的计算建模越来越依赖于多尺度模拟,这种模拟通常利用均质化理论进行尺度耦合。这种模拟的成本和内存密集程度令人望而却步,尤其是在对铸造金属合金等大型三维部件的损伤和断裂进行建模时。为了应对这些挑战,我们开发了一种物理约束深度学习模型,以替代微尺度模拟。我们在机理数据驱动框架内建立了这一模型,使其能够准确预测不可逆弹塑性硬化和软化变形下的有效微结构响应。为了实现高精度,同时减少对标记数据的依赖,我们设计了基于损伤力学的深度学习模型架构,并引入了一个新的损失分量,以提高模型的热力学一致性。我们使用力学降阶模型生成深度学习模型的训练数据,并证明除了在包括严重软化在内的未知变形路径上实现高精度外,我们的模型还可以嵌入到断裂的三维多尺度模拟中。通过这种嵌入,我们还证明了教师强迫等最先进的技术会导致深度学习模型在多尺度模拟中产生分歧。我们的数值实验表明,我们的模型比纯数据驱动模型更准确,比机理降阶模型更高效。
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引用次数: 0
A comparative study of enriched computational homogenization schemes applied to two-dimensional pattern-transforming elastomeric mechanical metamaterials 应用于二维模式转换弹性机械超材料的丰富计算均质化方案比较研究
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-01-11 DOI: 10.1007/s00466-023-02428-2
S. O. Sperling, T. Guo, R. H. J. Peerlings, V. G. Kouznetsova, M. G. D. Geers, O. Rokoš

Elastomeric mechanical metamaterials exhibit unconventional behaviour, emerging from their microstructures often deforming in a highly nonlinear and unstable manner. Such microstructural pattern transformations lead to non-local behaviour and induce abrupt changes in the effective properties, beneficial for engineering applications. To avoid expensive simulations fully resolving the underlying microstructure, homogenization methods are employed. In this contribution, a systematic comparative study is performed, assessing the predictive capability of several computational homogenization schemes in the realm of two-dimensional elastomeric metamaterials with a square stacking of circular holes. In particular, classical first-order and two enriched schemes of second-order and micromorphic cmoputational homogenziation type are compared with ensemble-averaged full direct numerical simulations on three examples: uniform compression and bending of an infinite specimen, and compression of a finite specimen. It is shown that although the second-order scheme provides good qualitative predictions, it fails in accurately capturing bifurcation strains and slightly over-predicts the homogenized response. The micromorphic method provides the most accurate prediction for tested examples, although soft boundary layers induce large errors at small scale ratios. The first-order scheme yields good predictions for high separations of scales, but suffers from convergence issues, especially when localization occurs.

弹性机械超材料表现出非常规行为,其微结构经常以高度非线性和不稳定的方式变形。这种微结构模式的转变会导致非局部行为,并引起有效特性的突然变化,有利于工程应用。为了避免昂贵的模拟来完全解析底层微观结构,我们采用了均质化方法。在本文中,我们进行了一项系统的比较研究,评估了几种计算均质化方案在具有方形堆叠圆孔的二维弹性超材料领域的预测能力。特别是,在三个例子(无限试样的均匀压缩和弯曲,以及有限试样的压缩)中,将经典的一阶方案和两种丰富的二阶方案以及微形态 cmoputational 均质类型与集合平均全直接数值模拟进行了比较。结果表明,虽然二阶方案提供了良好的定性预测,但它无法准确捕捉分岔应变,对均质化响应的预测略微过高。微形态方法为测试实例提供了最准确的预测,尽管软边界层在小比例时会引起较大误差。一阶方案对高尺度分离产生了良好的预测,但存在收敛问题,特别是在发生局部化时。
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引用次数: 0
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