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Graph neural network universal interatomic potentials (GNN-UIPs) have demonstrated remarkable generalization and transfer capabilities in material discovery and property prediction. These models can accelerate molecular dynamics (MD)…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-25 Yuanchang Zhou , Siyu Hu , Chen Wang , Lin-Wang Wang , Guangming Tan , Weile Jia

A simple micromechanical model of polycrystalline materials is proposed, which enables us to swiftly produce grain-boundary-stress distributions induced by the uniform external loading (in the elastic strain regime). Such statistical…

Materials Science · Physics 2024-05-24 Timon Mede , Samir El Shawish

In this paper, we develop a convolutional neural network model to predict the mechanical properties of a two-dimensional checkerboard composite quantitatively. The checkerboard composite possesses two phases, one phase is soft and ductile…

Machine Learning · Computer Science 2020-02-03 Diab W. Abueidda , Mohammad Almasri , Rami Ammourah , Umberto Ravaioli , Iwona M. Jasiuk , Nahil A. Sobh

Synchrotron Laue microdiffraction and Digital Image Correlation measurements were coupled to track the elastic strain field (or stress field) and the total strain field near a general grain boundary in a bent bicrystal. A 316L stainless…

Convolutional neural networks are state-of-the-art for various segmentation tasks. While for 2D images these networks are also computationally efficient, 3D convolutions have huge storage requirements and require long training time. To…

Computer Vision and Pattern Recognition · Computer Science 2019-08-06 Christoph Angermann , Markus Haltmeier , Ruth Steiger , Sergiy Pereverzyev , Elke Gizewski

Compared to conventional projection-based model-order-reduction, its neural-network acceleration has the advantage that the online simulations are equation-free, meaning that no system of equations needs to be solved iteratively.…

Machine Learning · Computer Science 2021-09-17 S. Vijayaraghavan , L. Wu , L. Noels , S. P. A. Bordas , S. Natarajan , L. A. A. Beex

This work presents a multi-level modeling and design framework for weft knitted fabrics, beginning with a volumetric finite element analysis capturing their mechanical behavior from fundamental principles. Incorporating yarn-level data, it…

Understanding reactor-pressure-vessel steel microstructure is crucial for predicting mechanical properties, as carbide precipitates both strengthen the alloy and can initiate cracks. In scanning electron microscopy images, gray-value…

Machine Learning · Computer Science 2025-11-17 Alinda Ezgi Gerçek , Till Korten , Paul Chekhonin , Maleeha Hassan , Peter Steinbach

This paper tackles the problem of training a deep convolutional neural network with both low-precision weights and low-bitwidth activations. Optimizing a low-precision network is very challenging since the training process can easily get…

Computer Vision and Pattern Recognition · Computer Science 2021-06-05 Bohan Zhuang , Chunhua Shen , Mingkui Tan , Lingqiao Liu , Ian Reid

Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high…

Microstructural heterogeneity affects the macro-scale behavior of materials. Conversely, load distribution at the macro-scale changes the microstructural response. These up-scaling and down-scaling relations are often modeled using…

Materials Science · Physics 2023-06-13 Ashwini Gupta , Anindya Bhaduri , Lori Graham-Brady

The heterogeneous microstructure in metallic components results in locally varying fatigue strength. Metal fatigue strongly depends on size and shape of non-metallic inclusions and pores, commonly referred to as "defects". Nodular cast iron…

Computational Engineering, Finance, and Science · Computer Science 2020-05-15 Christian Gebhardt , Torsten Trimborn , Felix Weber , Alexander Bezold , Christoph Broeckmann , Michael Herty

This paper presents an algorithm for efficient training of sparse linear models with elastic net regularization. Extending previous work on delayed updates, the new algorithm applies stochastic gradient updates to non-zero features only,…

Machine Learning · Computer Science 2015-07-06 Zachary C. Lipton , Charles Elkan

Pixel- and voxel-based representations of microstructures obtained from tomographic imaging methods is an established standard in computational materials science. The corresponding highly resolved, uniform discretitization in numerical…

Numerical Analysis · Mathematics 2019-08-27 Andreas Fischer , Bernhard Eidel

We report significantly improved accuracy of grain boundary segmentation using Convolutional Neural Networks (CNN) trained on a combination of real and generated data. Manual segmentation is accurate but time-consuming, and existing…

Convolutional neural networks (CNNs) with dilated filters such as the Wavenet or the Temporal Convolutional Network (TCN) have shown good results in a variety of sequence modelling tasks. However, efficiently modelling long-term…

Machine Learning · Computer Science 2019-11-18 Daniel Stoller , Mi Tian , Sebastian Ewert , Simon Dixon

This study presents residual U-Net (U-ResNet), a deep learning surrogate model for predicting steady hemodynamic fields in two-dimensional asymmetric stenotic channels at Reynolds numbers ranging from 200 to 800. By integrating residual…

Fluid Dynamics · Physics 2025-08-12 Xintong Zou , Suiyang Tong , Wenhui Peng , Qiuxiang Huang , Jianchun Wang

Stress and material deformation field predictions are among the most important tasks in computational mechanics. These predictions are typically made by solving the governing equations of continuum mechanics using finite element analysis,…

Machine Learning · Statistics 2024-06-24 George D. Pasparakis , Lori Graham-Brady , Michael D. Shields

Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…

Materials Science · Physics 2021-07-16 Minyi Dai , Mehmet F. Demirel , Yingyu Liang , Jia-Mian Hu

Resistance spot welding is the dominant joining process for the body-in-white in the automotive industry, where the weld nugget diameter is the key quality metric. Its measurement requires destructive testing, limiting the potential for…

Machine Learning · Computer Science 2026-01-27 Jan A. Zak , Christian Weißenfels
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