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On the incorporation of a micromechanical material model into the inherent strain method—Application to the modeling of selective laser melting 材料微力学模型与固有应变法的结合——在选择性激光熔化过程建模中的应用
Q1 Mathematics Pub Date : 2021-09-09 DOI: 10.1002/gamm.202100015
Isabelle Noll, Thorsten Bartel, Andreas Menzel

When developing reliable and useful models for selective laser melting processes of large parts, various simplifications are necessary to achieve computationally efficient simulations. Due to the complex processes taking place during the manufacturing of such parts, especially the material and heat source models influence the simulation results. If accurate predictions of residual stresses and deformation are desired, both complete temperature history and mechanical behavior have to be included in a thermomechanical model. In this article, we combine a multiscale approach using the inherent strain method with a newly developed phase transformation model. With the help of this model, which is based on energy densities and energy minimization, the three states of the material, namely, powder, molten, and resolidified material, are explicitly incorporated into the thermomechanically fully coupled finite-element-based process model of the micromechanically motivated laser heat source model and the simplified layer hatch model.

在为大型零件的选择性激光熔化过程建立可靠和有用的模型时,为了实现计算效率的模拟,需要进行各种简化。由于此类零件的制造过程复杂,特别是材料模型和热源模型对仿真结果的影响较大。如果需要准确预测残余应力和变形,则必须在热力学模型中包括完整的温度历史和力学行为。本文将固有应变法的多尺度方法与新建立的相变模型相结合。利用该基于能量密度和能量最小化的模型,将材料的粉末、熔融和再凝固三种状态明确纳入微机械驱动激光热源模型的热力全耦合有限元过程模型和简化层hatch模型中。
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引用次数: 5
Physics-based modeling and predictive simulation of powder bed fusion additive manufacturing across length scales 基于物理的粉末床熔融增材制造跨长度尺度建模和预测仿真
Q1 Mathematics Pub Date : 2021-08-22 DOI: 10.1002/gamm.202100014
Christoph Meier, Sebastian L. Fuchs, Nils Much, Jonas Nitzler, Ryan W. Penny, Patrick M. Praegla, Sebastian D. Proell, Yushen Sun, Reimar Weissbach, Magdalena Schreter, Neil E. Hodge, A. John Hart, Wolfgang A. Wall

Powder bed fusion additive manufacturing (PBFAM) of metals has the potential to enable new paradigms of product design, manufacturing and supply chains while accelerating the realization of new technologies in the medical, aerospace, and other industries. Currently, wider adoption of PBFAM is held back by difficulty in part qualification, high production costs and low production rates, as extensive process tuning, post-processing, and inspection are required before a final part can be produced and deployed. Physics-based modeling and predictive simulation of PBFAM offers the potential to advance fundamental understanding of physical mechanisms that initiate process instabilities and cause defects. In turn, these insights can help link process and feedstock parameters with resulting part and material properties, thereby predicting optimal processing conditions and inspiring the development of improved processing hardware, strategies and materials. This work presents recent developments of our research team in the modeling of metal PBFAM processes spanning length scales, namely mesoscale powder modeling, mesoscale melt pool modeling, macroscale thermo-solid-mechanical modeling and microstructure modeling. Ongoing work in experimental validation of these models is also summarized. In conclusion, we discuss the interplay of these individual submodels within an integrated overall modeling approach, along with future research directions.

金属粉末床熔融增材制造(pbam)有可能实现产品设计、制造和供应链的新范式,同时加速医疗、航空航天和其他行业新技术的实现。目前,由于在最终零件生产和部署之前需要进行大量的工艺调整、后处理和检查,零件鉴定困难、生产成本高和生产率低阻碍了pfam的广泛采用。基于物理的pbam建模和预测模拟提供了对引发工艺不稳定和导致缺陷的物理机制的基本理解的潜力。反过来,这些见解可以帮助将工艺和原料参数与产生的零件和材料特性联系起来,从而预测最佳加工条件,并激发改进加工硬件、策略和材料的发展。这项工作介绍了我们的研究团队在金属pfam过程跨长度尺度建模方面的最新进展,即中尺度粉末建模、中尺度熔池建模、宏观热固力学建模和微观结构建模。还总结了这些模型在实验验证方面正在进行的工作。最后,我们讨论了这些单独的子模型在集成的整体建模方法中的相互作用,以及未来的研究方向。
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引用次数: 19
Additive manufacturing applications of phase-field-based topology optimization using adaptive isogeometric analysis 增材制造中基于相场的自适应等几何分析拓扑优化应用
Q1 Mathematics Pub Date : 2021-08-12 DOI: 10.1002/gamm.202100013
Massimo Carraturo, Paul Hennig, Gianluca Alaimo, Leonhard Heindel, Ferdinando Auricchio, Markus Kästner, Alessandro Reali
In this contribution, we apply adaptive isogeometric analysis to a diffuse interface model for topology optimization. First, the influence of refinement and coarsening parameters on the optimization procedure are evaluated and discussed on a two‐dimensional problem and a possible workflow to convert smooth isogeometric solutions into 3D printed products is described. Second, to assess the required numerical accuracy of the proposed simulation framework, numerical results obtained adopting different stopping criteria are experimentally evaluated for a three‐dimensional benchmark problem.
在这篇贡献中,我们将自适应等几何分析应用于漫射界面模型的拓扑优化。首先,在二维问题上评估和讨论了精化和粗化参数对优化过程的影响,并描述了将光滑等几何解转化为3D打印产品的可能工作流程。其次,为了评估所提出的仿真框架所需的数值精度,对三维基准问题采用不同停止准则得到的数值结果进行了实验评估。
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引用次数: 10
Modeling crystallization kinetics for selective laser sintering of polyamide 12 聚酰胺12选择性激光烧结结晶动力学建模
Q1 Mathematics Pub Date : 2021-08-09 DOI: 10.1002/gamm.202100011
Dominic Soldner, Paul Steinmann, Julia Mergheim

Selective laser sintering (SLS) of polymers represents a widely used additive manufacturing process, where the part quality depends highly on the present thermal conditions. One distinct feature of SLS is the existence of separate temperature regions for melting and crystallization (solidification) and that the process optimally operates within said regions. Typically a crystallization model, such as the Nakamura model, is used to predict the degree of crystallization as a function of temperature and time. One limitation of this model is the inability to compute negative rates of the crystallization degree during remelting. As we will show in this work, such an extension is necessary, considering the varying temperature fields appearing in SLS. To this end, an extension is proposed and analyzed in detail. Furthermore, a dependency of the temperature and crystallization fields on the size of geometrical features is presented.

聚合物的选择性激光烧结(SLS)是一种广泛使用的增材制造工艺,其零件质量高度依赖于当前的热条件。SLS的一个显著特征是存在用于熔化和结晶(凝固)的单独温度区域,并且该过程在该区域内进行最佳操作。典型的结晶模型,如Nakamura模型,被用来预测结晶程度作为温度和时间的函数。该模型的一个限制是无法计算重熔过程中结晶度的负速率。正如我们将在这项工作中展示的那样,考虑到SLS中出现的不同温度场,这种扩展是必要的。为此,提出了一种扩展方案,并对其进行了详细分析。此外,还提出了温度场和结晶场与几何特征尺寸的关系。
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引用次数: 7
Accessing pore microstructure–property relationships for additively manufactured materials 获取增材制造材料的孔隙微观结构-性能关系
Q1 Mathematics Pub Date : 2021-08-08 DOI: 10.1002/gamm.202100012
Alexander Raßloff, Paul Schulz, Robert Kühne, Marreddy Ambati, Ilja Koch, André T. Zeuner, Maik Gude, Martina Zimmermann, Markus Kästner

Understanding structure–property (SP) relationships is essential for accelerating materials innovation. Still being in the state of ongoing research and development, this is especially true for additive manufacturing (AM) in which process-induced imperfections like pores and microstructural variations significantly influence the material's properties. That is why, the present work aims at proposing an approach for accessing pore SP relationships for AM materials. For this purpose, crystal plasticity (CP) simulations on reconstructed domains based on experimental measurements are employed to allow for a microstructure-sensitive investigation. For the considered Ti–6Al–4V specimen manufactured by laser powder bed fusion, the microstructure and pore characteristics are obtained by utilizing light microscopy and X-ray computed tomography at the microscale. Employing suitable statistical analysis and reconstruction, statistical volume elements with reconstructed pore distributions are created. Using them, microscale CP simulations are performed to obtain fatigue indicating parameters. Employing a further statistical analysis, fatigue ranking parameters are derived for a comparison of different microstructures. Additionally, a comparison with the empirical Murakami's square root area concept is made. Results from first numerical studies underline the potential of the approach for understanding and improving AM materials.

理解结构-性能(SP)关系对于加速材料创新至关重要。目前,增材制造(AM)仍处于持续研究和开发的状态,尤其是在增材制造(AM)中,工艺引起的缺陷(如孔隙和微观结构变化)会显著影响材料的性能。这就是为什么,目前的工作旨在提出一种获取AM材料孔隙SP关系的方法。为此,在基于实验测量的重构域上进行晶体塑性(CP)模拟,以允许微观结构敏感的研究。对激光粉末床熔合制备的Ti-6Al-4V试样,利用光学显微镜和x射线计算机断层扫描技术在微观尺度上获得了微观结构和孔隙特征。通过适当的统计分析和重建,建立了具有重建孔隙分布的统计体积元。利用它们进行了微尺度CP模拟,获得了疲劳指示参数。通过进一步的统计分析,导出了疲劳等级参数,用于不同显微组织的比较。并与村上的平方根面积概念进行了实证比较。第一次数值研究的结果强调了理解和改进增材制造材料的方法的潜力。
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引用次数: 7
Structured learning of rigid-body dynamics: A survey and unified view from a robotics perspective 刚体动力学的结构化学习:从机器人角度的调查和统一观点
Q1 Mathematics Pub Date : 2021-06-09 DOI: 10.1002/gamm.202100009
A. René Geist, Sebastian Trimpe

Accurate models of mechanical system dynamics are often critical for model-based control and reinforcement learning. Fully data-driven dynamics models promise to ease the process of modeling and analysis, but require considerable amounts of data for training and often do not generalize well to unseen parts of the state space. Combining data-driven modeling with prior analytical knowledge is an attractive alternative as the inclusion of structural knowledge into a regression model improves the model's data efficiency and physical integrity. In this article, we survey supervised regression models that combine rigid-body mechanics with data-driven modeling techniques. We analyze the different latent functions (such as kinetic energy or dissipative forces) and operators (such as differential operators and projection matrices) underlying common descriptions of rigid-body mechanics. Based on this analysis, we provide a unified view on the combination of data-driven regression models, such as neural networks and Gaussian processes, with analytical model priors. Furthermore, we review and discuss key techniques for designing structured models such as automatic differentiation.

准确的机械系统动力学模型对于基于模型的控制和强化学习至关重要。完全数据驱动的动态模型有望简化建模和分析的过程,但需要大量的数据进行训练,并且通常不能很好地泛化到状态空间中不可见的部分。将数据驱动的建模与先前的分析知识相结合是一个有吸引力的选择,因为将结构知识包含到回归模型中可以提高模型的数据效率和物理完整性。在本文中,我们调查了将刚体力学与数据驱动建模技术相结合的监督回归模型。我们分析了不同的潜在函数(如动能或耗散力)和算子(如微分算子和投影矩阵),这些算子是刚体力学常见描述的基础。基于这一分析,我们对数据驱动回归模型(如神经网络和高斯过程)与分析模型先验的结合提供了统一的观点。此外,我们回顾和讨论了设计结构化模型的关键技术,如自动微分。
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引用次数: 7
Topical issue scientific machine learning (2/2) 热门话题科学机器学习(2/2)
Q1 Mathematics Pub Date : 2021-06-07 DOI: 10.1002/gamm.202100010
Peter Benner, Axel Klawonn, Martin Stoll
We already have illustrated in the first issue [1] of this series that the emerging field of scientific machine learning is penetrating traditional fields within scientific computing and beyond. The second issue in this series is also devoted to demonstrating this rapid change. In this part of our special issue of the GAMM Mitteilungen, we continue the presentation of contributions on the topic of scientific machine learning in the context of complex applications across the sciences and engineering. We are pleased that again four teams of authors have accepted our invitation and are now illustrating their insights into recent research highlights as well as pointing the reader to the relevant literature and software. The four papers in this second part of the special issue are:
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引用次数: 0
Three ways to solve partial differential equations with neural networks — A review 用神经网络求解偏微分方程的三种方法综述
Q1 Mathematics Pub Date : 2021-05-28 DOI: 10.1002/gamm.202100006
Jan Blechschmidt, Oliver G. Ernst

Neural networks are increasingly used to construct numerical solution methods for partial differential equations. In this expository review, we introduce and contrast three important recent approaches attractive in their simplicity and their suitability for high-dimensional problems: physics-informed neural networks, methods based on the Feynman–Kac formula and methods based on the solution of backward stochastic differential equations. The article is accompanied by a suite of expository software in the form of Jupyter notebooks in which each basic methodology is explained step by step, allowing for a quick assimilation and experimentation. An extensive bibliography summarizes the state of the art.

神经网络越来越多地用于构建偏微分方程的数值解方法。在这篇说明性的综述中,我们介绍并比较了最近三种重要的方法,它们的简单性和对高维问题的适用性:物理信息神经网络,基于费曼-卡茨公式的方法和基于后向随机微分方程解的方法。本文附带了一套说明性软件,以Jupyter笔记本的形式,其中每个基本方法都一步一步地解释,允许快速吸收和实验。一份详尽的参考书目概述了目前的技术状况。
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引用次数: 94
Hybrid analysis and modeling, eclecticism, and multifidelity computing toward digital twin revolution 混合分析和建模,折衷主义和多保真计算走向数字孪生革命
Q1 Mathematics Pub Date : 2021-05-28 DOI: 10.1002/gamm.202100007
Omer San, Adil Rasheed, Trond Kvamsdal

Most modeling approaches lie in either of the two categories: physics-based or data-driven. Recently, a third approach which is a combination of these deterministic and statistical models is emerging for scientific applications. To leverage these developments, our aim in this perspective paper is centered around exploring numerous principle concepts to address the challenges of (i) trustworthiness and generalizability in developing data-driven models to shed light on understanding the fundamental trade-offs in their accuracy and efficiency and (ii) seamless integration of interface learning and multifidelity coupling approaches that transfer and represent information between different entities, particularly when different scales are governed by different physics, each operating on a different level of abstraction. Addressing these challenges could enable the revolution of digital twin technologies for scientific and engineering applications.

大多数建模方法属于两类:基于物理的或数据驱动的。最近,第三种方法,即这些确定性和统计模型的结合,正在出现在科学应用中。为了利用这些发展,我们在这篇观点论文中的目标是围绕探索许多原则概念来解决以下挑战:(i)开发数据驱动模型的可信度和通用性,以阐明理解其准确性和效率的基本权衡;(ii)接口学习和多保真耦合方法的无缝集成,在不同实体之间传递和表示信息;特别是当不同的尺度由不同的物理控制时,每一个都在不同的抽象层次上运作。解决这些挑战可以为科学和工程应用带来数字孪生技术的革命。
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引用次数: 26
An introduction to deep generative modeling 深度生成建模的介绍
Q1 Mathematics Pub Date : 2021-05-28 DOI: 10.1002/gamm.202100008
Lars Ruthotto, Eldad Haber

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using samples. When trained successfully, we can use the DGM to estimate the likelihood of each observation and to create new samples from the underlying distribution. Developing DGMs has become one of the most hotly researched fields in artificial intelligence in recent years. The literature on DGMs has become vast and is growing rapidly. Some advances have even reached the public sphere, for example, the recent successes in generating realistic-looking images, voices, or movies; so-called deep fakes. Despite these successes, several mathematical and practical issues limit the broader use of DGMs: given a specific dataset, it remains challenging to design and train a DGM and even more challenging to find out why a particular model is or is not effective. To help advance the theoretical understanding of DGMs, we introduce DGMs and provide a concise mathematical framework for modeling the three most popular approaches: normalizing flows, variational autoencoders, and generative adversarial networks. We illustrate the advantages and disadvantages of these basic approaches using numerical experiments. Our goal is to enable and motivate the reader to contribute to this proliferating research area. Our presentation also emphasizes relations between generative modeling and optimal transport.

深度生成模型(DGM)是具有许多隐藏层的神经网络,经过训练可以使用样本近似复杂的高维概率分布。当训练成功时,我们可以使用DGM来估计每个观测值的可能性,并从底层分布中创建新的样本。发展dgm是近年来人工智能研究的热点之一。关于dgm的文献已经变得非常庞大,并且正在迅速增长。有些进步甚至已经进入了公共领域,例如,最近在生成逼真的图像、声音或电影方面取得了成功;所谓的深度造假。尽管取得了这些成功,但一些数学和实际问题限制了DGM的广泛使用:给定特定的数据集,设计和训练DGM仍然具有挑战性,而找出特定模型有效或无效的原因更具挑战性。为了帮助推进对dgm的理论理解,我们介绍了dgm,并提供了一个简洁的数学框架来建模三种最流行的方法:归一化流、变分自编码器和生成对抗网络。我们用数值实验说明了这些基本方法的优缺点。我们的目标是鼓励读者为这个蓬勃发展的研究领域做出贡献。我们的报告还强调了生成建模和最优运输之间的关系。
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引用次数: 120
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GAMM Mitteilungen
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