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Physics-informed discretization-independent deep compositional operator network 物理信息离散化独立深度组合算子网络
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-09 DOI: 10.1016/j.cma.2024.117274

Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which predicts the PDE solution with variable PDE parameter inputs, have been successfully used. However, the training of neural operators typically demands large training datasets, the acquisition of which can be prohibitively expensive. To address this challenge, physics-informed training can offer a cost-effective strategy. However, current physics-informed neural operators face limitations, either in handling irregular domain shapes or in in generalizing to various discrete representations of PDE parameters. In this research, we introduce a novel physics-informed model architecture which can generalize to various discrete representations of PDE parameters and irregular domain shapes. Particularly, inspired by deep operator neural networks, our model involves a discretization-independent learning of parameter embedding repeatedly, and this parameter embedding is integrated with the response embeddings through multiple compositional layers, for more expressivity. Numerical results demonstrate the accuracy and efficiency of the proposed method.

解决参数范围广泛的参数偏微分方程(PDEs)是科学计算领域的一项重大挑战。为此,神经算子得到了成功应用,它可以预测具有可变偏微分方程参数输入的偏微分方程解。然而,神经算子的训练通常需要大量的训练数据集,而获取这些数据集的成本可能高得令人望而却步。为了应对这一挑战,物理信息训练可以提供一种经济有效的策略。然而,当前的物理信息神经算子在处理不规则域形状或泛化到 PDE 参数的各种离散表示方面面临着限制。在这项研究中,我们引入了一种新颖的物理信息模型架构,它可以泛化到各种离散表示的 PDE 参数和不规则域形状。特别是,受深度算子神经网络的启发,我们的模型涉及与离散化无关的参数嵌入的反复学习,并通过多个组成层将参数嵌入与响应嵌入集成在一起,以获得更强的表达能力。数值结果证明了所提方法的准确性和高效性。
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引用次数: 0
Multistep asymptotic pre-training strategy based on PINNs for solving steep boundary singular perturbation problems 基于 PINNs 的多步渐近预训练策略,用于解决陡峭边界奇异扰动问题
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-08 DOI: 10.1016/j.cma.2024.117222

The singularly perturbed problem is characterized by the presence of narrow boundary layers, which poses challenges for traditional numerical methods due to complexity and high costs. The contemporary deep learning physics-informed neural networks (PINNs) suffer from accuracy issues while learning initial conditions, fail to capture the sharp gradient behaviors, and provide inadequate approximations to rapidly oscillating solutions. A novel technique named PATPINN is introduced to effectively address singularly perturbed parabolic problems with significant gradients in the spatio-temporal domain, utilizing a unique time and parameter multi-step asymptotic pre-training approach based on PINNs. The presented technique can assist the model in learning the system dynamic behavior and improve the accuracy of the initial conditions. It also enables PINNs to capture abrupt changes in the solution without prior knowledge of the boundary layer position, boosting its ability to approximate oscillatory solutions. This innovative approach does not require hyperparameter fine-tuning and provides a dependable deep learning approach for handling evolutionary singular perturbation problems. The proposed method is compared to PINNs and pre-training PINN (PTPINN) by solving singular convection–diffusion–reaction equations and magnetohydrodynamic equations. The results show that the proposed strategy outperforms PINNs and PTPINN in capturing the boundary layer gradient, improving the approximation accuracy and accelerating the training process, in addition to significantly improving the accuracy of PINNs in approximating the initial conditions.

奇异扰动问题的特点是存在狭窄的边界层,由于其复杂性和高成本,给传统的数值方法带来了挑战。当代的深度学习物理信息神经网络(PINNs)在学习初始条件时存在精度问题,无法捕捉急剧的梯度行为,对快速振荡解的近似不足。本文介绍了一种名为 "PATPINN "的新技术,利用基于 PINNs 的独特时间和参数多步渐近预训练方法,有效解决时空域中具有显著梯度的奇异扰动抛物线问题。所提出的技术可以帮助模型学习系统动态行为,并提高初始条件的准确性。它还能使 PINNs 在不预先知道边界层位置的情况下捕捉解的突然变化,从而提高其近似振荡解的能力。这种创新方法不需要超参数微调,为处理演化奇异扰动问题提供了可靠的深度学习方法。通过求解奇异对流-扩散-反应方程和磁流体动力学方程,将所提出的方法与 PINN 和预训练 PINN(PTPINN)进行了比较。结果表明,提出的策略在捕捉边界层梯度、提高逼近精度和加速训练过程方面优于 PINNs 和 PTPINN,此外还显著提高了 PINNs 在逼近初始条件方面的精度。
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引用次数: 0
SeAr PC: Sensitivity enhanced arbitrary Polynomial Chaos SeAr PC:灵敏度增强型任意多项式混沌
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-08 DOI: 10.1016/j.cma.2024.117269

This paper presents a method for performing Uncertainty Quantification in high-dimensional uncertain spaces by combining arbitrary polynomial chaos with a recently proposed scheme for sensitivity enhancement (Kantarakias and Papadakis, 2023). Including available sensitivity information offers a way to mitigate the curse of dimensionality in Polynomial Chaos Expansions (PCEs). Coupling the sensitivity enhancement to arbitrary Polynomial Chaos allows the formulation to be extended to a wide range of stochastic processes, including multi-modal, fat-tailed, and truncated probability distributions. In so doing, this work addresses two of the barriers to widespread industrial application of PCEs. The method is demonstrated for a number of synthetic test cases, including an uncertainty analysis of a Finite Element structure, determined using Topology Optimisation, with 306 uncertain inputs. We demonstrate that by exploiting sensitivity information, PCEs can feasibly be applied to such problems and through the Sobol sensitivity indices, can allow a designer to easily visualise the spatial distribution of the sensitivities within the structure.

本文介绍了一种在高维不确定空间中进行不确定性量化的方法,该方法将任意多项式混沌与最近提出的灵敏度增强方案相结合(Kantarakias 和 Papadakis,2023 年)。将可用的灵敏度信息纳入多项式混沌展开(PCE)为减轻多项式混沌展开的不确定性提供了一种方法。将灵敏度增强与任意多项式混沌耦合,可以将公式扩展到多种随机过程,包括多模态、胖尾和截断概率分布。这样,这项工作就解决了 PCE 在工业领域广泛应用的两个障碍。该方法针对大量合成测试案例进行了演示,其中包括对有限元结构的不确定性分析,该结构是使用拓扑优化方法确定的,有 306 个不确定输入。我们证明,通过利用灵敏度信息,PCE 可被应用于此类问题,并且通过 Sobol 灵敏度指数,设计人员可以轻松地直观了解结构中灵敏度的空间分布情况。
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引用次数: 0
Interpretable physics-encoded finite element network to handle concentration features and multi-material heterogeneity in hyperelasticity 可解释的物理编码有限元网络,用于处理超弹性中的集中特征和多材料异质性
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-08 DOI: 10.1016/j.cma.2024.117268

Physics-informed neural networks (PINNs) have recently prevailed as differentiable solvers that unify forward and inverse analysis in the same formulation. However, PINNs have quite limited caliber when dealing with concentration features and discontinuous multi-material heterogeneity, hindering its application when labeled data is missing. We propose a novel physics-encoded finite element network (PEFEN) that can deal with concentration features and multi-material heterogeneity without special treatments, extra burden, or labeled data. Leveraging the interpretable discretized finite element approximation as a differentiable network in the new approach, PEFEN encodes the physics structure of multi-material heterogeneity, functional losses, and boundary conditions. We simulate three typical numerical experiments, and PEFEN is validated with a good performance of handling complex cases where conventional PINNs fail. Moreover, PEFEN entails much fewer iterations (<10%) than some published improved PINNs (namely the mixed form and domain decomposition method), and the proposed PEFEN does not employ extra variables for stresses or special treatments for subdomains. We further examine PEFEN in hyperelastic multi-layer strata with and without a pile, validating its ability for more practical applications. PEFEN is also tested for inverse analysis. In 3D experiments, transfer learning with PEFEN is validated. PEFEN need much less memory than FEM (<20%), and its training from zero initialization is faster than FEM forward analysis (>1 million dofs). It is also discussed that PEFEN may act like domain decomposition in a refined way, and a simple experiment validates that PEFEN can solve the problem with multi-scale frequency. The PEFEN, thus, proves to be a promising method and deserves further development.

物理信息神经网络(PINNs)作为一种可微分求解器,将正向分析和逆向分析统一在同一表述中,近来大行其道。然而,在处理浓度特征和不连续的多材料异质性时,PINNs 的能力非常有限,这阻碍了它在缺少标记数据时的应用。我们提出了一种新颖的物理编码有限元网络(PEFEN),无需特殊处理、额外负担或标注数据,即可处理浓度特征和多材料异质性。利用新方法中作为可微分网络的可解释离散有限元近似,PEFEN 对多材料异质性、功能损失和边界条件的物理结构进行了编码。我们模拟了三个典型的数值实验,验证了 PEFEN 在处理传统 PINN 失效的复杂情况时具有良好的性能。此外,PEFEN 的迭代次数(100 万 dofs)要少得多。此外,还讨论了 PEFEN 可以像域分解一样以一种精细的方式发挥作用,一个简单的实验验证了 PEFEN 可以解决多尺度频率问题。因此,PEFEN 被证明是一种很有前途的方法,值得进一步开发。
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引用次数: 0
Topology optimization for hybrid additive-subtractive manufacturing incorporating dynamic process planning 结合动态工艺规划的增材-减材混合制造拓扑优化
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-07 DOI: 10.1016/j.cma.2024.117270

Hybrid additive–subtractive manufacturing (HASM) is a revolutionary technique that, the interplay between additive and subtractive processes within an integrated machine tool allows for the fabrication of traditionally challenging complex geometries with excellent quality. However, part design for hybrid manufacturing has mostly been done by experts with rare support from computational design algorithms. Hence, the primary contribution of this work is to propose a solution for HASM-oriented structural topology optimization that incorporates both dynamic process planning and accessibility constraints. This novel optimization algorithm is developed under a unified SIMP and magic needle framework. Two sets of design variables are proposed: one for the topological description while the other for identifying the printing stage-related subdivisions. Accordingly, a series of additive manufacturing (AM) and subtractive manufacturing (SM) dedicated geometric constraints are developed based on these design variables to enable the cutting tool and laser head accessibility. Supported by the sensitivities, the structural geometry and fabrication fields can be simultaneously optimized. The effectiveness of the algorithm is proved through several numerical and experimental case studies. All the factors of cutting tool directions, HASM stages, and specific tool shapes are thorough investigated.

增材-减材混合制造(HASM)是一项革命性的技术,它通过在集成机床内增材和减材工艺之间的相互作用,可以制造出具有传统挑战性的复杂几何形状,而且质量上乘。然而,混合制造的零件设计大多由专家完成,很少有计算设计算法的支持。因此,这项工作的主要贡献在于提出了一种面向 HASM 的结构拓扑优化解决方案,它同时包含了动态工艺规划和可达性约束。这种新颖的优化算法是在统一的 SIMP 和魔针框架下开发的。我们提出了两组设计变量:一组用于拓扑描述,另一组用于识别与打印阶段相关的细分。因此,基于这些设计变量开发了一系列增材制造(AM)和减材制造(SM)专用几何约束,以实现切割工具和激光头的可及性。在这些敏感性的支持下,可以同时优化结构几何和制造领域。该算法的有效性已通过多项数值和实验案例研究得到证实。对切削刀具方向、HASM 阶段和特定刀具形状等所有因素进行了深入研究。
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引用次数: 0
Conservative immersed-type algorithm with a Cartesian grid-based smoothed finite element method for the 2D fluid-structure interaction 针对二维流固耦合的基于笛卡尔网格的平滑有限元法的保守沉浸式算法
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-07 DOI: 10.1016/j.cma.2024.117275

The Cartesian grid, which is highly popular in Computational Fluid Dynamics (CFD), has the characteristics of high mesh quality and easy generation. However, due to the limit of shape functions, the Cartesian grid with hanging nodes (CGHN) was rarely used in finite element method based CFD algorithm. Based on the framework of the immersed boundary method, a smoothed finite element method based on CGHN is developed for the fluid-structure interaction problems in incompressible fluids and large deformed structures. The gradient smoothing technique simplifies the processing of the hanging nodes and ensures the mesh density of the Cartesian elements. When solving the nonlinear N-S equations, the characteristic-based split format is combined with the stabilized pressure gradient projection to overcome the convection and pressure oscillations in the Galerkin-like method. A heterogeneous mesh mapping technology is developed for the data transfer between fluid and solid domains. An efficient, accurate and generalized mass conservation algorithm is developed to solve the pressure oscillations in data transfer between fluids and solids. The results of numerical examples show that the presented method possesses high accuracy and robustness.

笛卡尔网格在计算流体动力学(CFD)中非常流行,它具有网格质量高和易于生成的特点。然而,由于形状函数的限制,基于有限元法的 CFD 算法很少使用带悬挂节点的笛卡尔网格(CGHN)。在沉浸边界法的框架基础上,针对不可压缩流体和大变形结构中的流固耦合问题,开发了一种基于 CGHN 的平滑有限元方法。梯度平滑技术简化了悬挂节点的处理,确保了笛卡尔元素的网格密度。在求解非线性 N-S 方程时,基于特征的分割格式与稳定压力梯度投影相结合,以克服类似 Galerkin 方法中的对流和压力振荡。开发了一种异质网格映射技术,用于流体域和固体域之间的数据传输。开发了一种高效、精确和通用的质量守恒算法来解决流体和固体之间数据传输中的压力振荡问题。数值示例结果表明,所提出的方法具有高精度和鲁棒性。
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引用次数: 0
A mean-strain estimate for plastic particles intended for distinct-particle simulations at high relative density 用于高相对密度下不同粒子模拟的塑料粒子平均应变估算值
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-07 DOI: 10.1016/j.cma.2024.117257

The kinematics of polydisperse granular materials comprised of overlapping spheres is carefully analysed. A single-particle strain estimate is developed that summaries the deformation experienced by each particle in terms of a mean deformation gradient. This strain estimate accounts for material displaced at interparticle contacts as well as a compensatory motion of the free particle surface. Forces that are work-conjugate to the mean deformation gradient are determined; they constitute the many-body forces required for a correct mechanical behaviour in the zero-porosity limit. Notwithstanding this, pairwise interparticle forces are needed for two main reasons; they dominate the particle interactions at small overlaps and stabilise the formulation in the continuum limit. Numerical simulations are performed to demonstrate the properties of the single-particle strain estimate and to test certain aspects of the formulation. In particular, it is demonstrated that the formulation can accommodate large rotations and provides a mechanical response consistent with that of a solid material in the zero-porosity limit. It is concluded that this work forms the basis for future developments aiming at formulation of realistic contact models for plastic particles and macroscopically consistent discrete methods for granular materials.

对由重叠球体组成的多分散颗粒材料的运动学进行了仔细分析。我们开发了一种单颗粒应变估算方法,它以平均变形梯度的形式总结了每个颗粒所经历的变形。该应变估计值考虑了颗粒间接触处的材料位移以及自由颗粒表面的补偿运动。与平均变形梯度成功的力被确定下来;它们构成了零孔隙极限下正确机械行为所需的多体力。尽管如此,粒子间的成对作用力也是必要的,主要有两个原因:它们在小重叠时主导粒子间的相互作用,并稳定连续极限的公式。我们进行了数值模拟,以证明单粒子应变估算的特性,并对公式的某些方面进行测试。特别是,模拟结果表明,该公式可以容纳较大的旋转,并在零孔隙极限下提供与固体材料一致的机械响应。结论是,这项工作为未来的发展奠定了基础,未来的发展目标是为塑性颗粒制定现实的接触模型,并为颗粒材料制定宏观上一致的离散方法。
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引用次数: 0
Efficient AMG reduction-based preconditioners for structural mechanics 基于AMG还原的高效结构力学预调器
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-07 DOI: 10.1016/j.cma.2024.117249

Structural problems play a critical role in many areas of science and engineering. Their efficient and accurate solution is essential for designing and optimising civil engineering, aerospace, and materials science applications, to name a few. When appropriately tuned, Algebraic Multigrid (AMG) methods exhibit a convergence that is independent of the problem size, making them the preferred option for solving structural problems. Nevertheless, AMG faces several computational challenges, including its remarkable memory footprint, costly setup, and the relatively low arithmetic intensity of the sparse linear algebra operations. This work presents AMGR, an enhanced variant of AMG that mitigates such limitations. Its name arises from the AMG reduction framework it introduces, and its flexibility allows for leveraging several features that are common in structural problems. Namely, periodicities, spatial symmetries, and localised non-linearities. For such cases, we show how to reduce the memory footprint and setup costs of the standard AMG, as well as increase its arithmetic intensity. Despite being lighter than the standard AMG, AMGR exhibits comparable scalability and convergence rates. Numerical experiments on several industrial applications prove AMGR’s effectiveness, resulting in up to 3.7x overall speed-ups compared to the standard AMG.

结构问题在科学和工程学的许多领域都起着至关重要的作用。高效、准确地解决结构问题对于设计和优化土木工程、航空航天和材料科学应用等至关重要。如果调整得当,代数多网格(AMG)方法的收敛性与问题大小无关,因此成为解决结构问题的首选。然而,AMG 在计算上面临着一些挑战,包括显著的内存占用、昂贵的设置以及稀疏线性代数运算相对较低的算术强度。本研究提出了 AMGR,它是 AMG 的一个增强变体,可减轻这些限制。AMGR 的名称源于它所引入的 AMG 简化框架,其灵活性允许利用结构问题中常见的几个特征。即周期性、空间对称性和局部非线性。针对这些情况,我们展示了如何减少标准 AMG 的内存占用和设置成本,并提高其运算强度。尽管 AMGR 比标准 AMG 更轻,但其可扩展性和收敛速度却不相上下。几个工业应用的数值实验证明了 AMGR 的有效性,与标准 AMG 相比,AMGR 的整体速度提高了 3.7 倍。
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引用次数: 0
FSGe: A fast and strongly-coupled 3D fluid–solid-growth interaction method FSGe:快速强耦合三维流固生长相互作用方法
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-06 DOI: 10.1016/j.cma.2024.117259

Equilibrated fluid–solid-growth (FSGe) is a fast, open source, three-dimensional (3D) computational platform for simulating interactions between instantaneous hemodynamics and long-term vessel wall adaptation through mechanobiologically equilibrated growth and remodeling (G&R). Such models can capture evolving geometry, composition, and material properties in health and disease and following clinical interventions. In traditional G&R models, this feedback is modeled through highly simplified fluid solutions, neglecting local variations in blood pressure and wall shear stress (WSS). FSGe overcomes these inherent limitations by strongly coupling the 3D Navier–Stokes equations for blood flow with a 3D equilibrated constrained mixture model (CMMe) for vascular tissue G&R. CMMe allows one to predict long-term evolved mechanobiological equilibria from an original homeostatic state at a computational cost equivalent to that of a standard hyperelastic material model. In illustrative computational examples, we focus on the development of a stable aortic aneurysm in a mouse model to highlight key differences in growth patterns between FSGe and solid-only G&R models. We show that FSGe is especially important in blood vessels with asymmetric stimuli. Simulation results reveal greater local variation in fluid-derived WSS than in intramural stress (IMS). Thus, differences between FSGe and G&R models became more pronounced with the growing influence of WSS relative to pressure. Future applications in highly localized disease processes, such as for lesion formation in atherosclerosis, can now include spatial and temporal variations of WSS.

平衡流固生长(FSGe)是一种快速、开源的三维(3D)计算平台,用于模拟瞬时血流动力学与通过机械生物学平衡生长和重塑(G&R)实现的长期血管壁适应性之间的相互作用。此类模型可以捕捉健康和疾病状态下以及临床干预后不断变化的几何形状、组成和材料特性。在传统的 G&R 模型中,这种反馈是通过高度简化的流体解决方案来模拟的,忽略了血压和管壁剪切应力(WSS)的局部变化。FSGe 通过将三维纳维-斯托克斯血流方程与血管组织 G&R 三维平衡受限混合模型 (CMMe) 强耦合,克服了这些固有的局限性。CMMe 可以预测从原始平衡状态长期演化而来的机械生物学平衡,其计算成本与标准超弹性材料模型相当。在示例计算中,我们重点研究了小鼠模型中稳定主动脉瘤的发展,以突出 FSGe 模型与纯实体 G&R 模型在生长模式上的关键差异。我们表明,FSGe 在具有不对称刺激的血管中尤为重要。模拟结果显示,流体衍生 WSS 的局部变化要大于壁内应力(IMS)。因此,随着 WSS 相对于压力的影响越来越大,FSGe 模型和 G&R 模型之间的差异也越来越明显。未来在高度局部化疾病过程中的应用,例如动脉粥样硬化病变的形成,现在可以包括 WSS 的空间和时间变化。
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引用次数: 0
A high-order conservative cut finite element method for problems in time-dependent domains 时变域问题的高阶保守切割有限元法
IF 6.9 1区 工程技术 Q1 ENGINEERING, MULTIDISCIPLINARY Pub Date : 2024-08-06 DOI: 10.1016/j.cma.2024.117245

A mass-conservative high-order unfitted finite element method for convection–diffusion equations in evolving domains is proposed. The space–time method presented in [P. Hansbo, M. G. Larson, S. Zahedi, Comput. Methods Appl. Mech. Engrg. 307 (2016)] is extended to naturally achieve mass conservation by utilizing Reynolds’ transport theorem. Furthermore, by partitioning the time-dependent domain into macroelements, a more efficient stabilization procedure for the cut finite element method in time-dependent domains is presented. Numerical experiments illustrate that the method fulfills mass conservation, attains high-order convergence, and the condition number of the resulting system matrix is controlled while sparsity is increased. Problems in bulk domains as well as coupled bulk-surface problems are considered.

针对演化域中的对流扩散方程,提出了一种质量守恒高阶非拟合有限元方法。P. Hansbo, M. G. Larson, S. Zahedi, Comput.Hansbo, M. G. Larson, S. Zahedi, Comput.Methods Appl.Engrg.307 (2016)] 中提出的时空方法进行了扩展,利用雷诺输运定理自然实现了质量守恒。此外,通过将随时间变化的域划分为宏元,为随时间变化的域中的切割有限元法提出了一种更有效的稳定程序。数值实验表明,该方法能满足质量守恒要求,实现高阶收敛,并在增加稀疏性的同时控制了系统矩阵的条件数。研究考虑了体域问题以及体-面耦合问题。
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引用次数: 0
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Computer Methods in Applied Mechanics and Engineering
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