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Unsupervised machine learning offers significant opportunities for extracting knowledge from unlabeled data sets and for achieving maximum machine learning performance. This paper demonstrates how to construct, use, and evaluate a high…

Materials Science · Physics 2021-04-13 Ryan Cohn , Elizabeth Holm

From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

This study investigated the potential of end-to-end deep learning tools as a more effective substitute for FEM in predicting stress-strain fields within 2D cross sections of arterial wall. We first proposed a U-Net based fully convolutional…

Machine Learning · Computer Science 2023-08-04 Yasin Shokrollahi1 , Pengfei Dong1 , Xianqi Li , Linxia Gu

Grain boundaries dramatically affect the properties of polycrystalline materials because of differences in atomic configuration. To fully understand the relationship between grain boundaries and materials properties, systematic studies of…

Materials Science · Physics 2021-01-19 Shin Kiyohara , Tomohiro Miyata , Teruyasu Mizoguchi

Selective laser melting is receiving increasing interest as an additive manufacturing technique. Residual stresses induced by the large temperature gradients and inhomogeneous cooling process can favour the generation of cracks. In this…

Materials Science · Physics 2021-07-20 Nicolò Grilli , Daijun Hu , Dewen Yushu , Fan Chen , Wentao Yan

Molecular dynamics (MD) simulations have become indispensable for exploring tribological deformation patterns at the atomic scale. However, transforming the resulting high-dimensional data into interpretable deformation pattern maps remains…

Materials Science · Physics 2025-12-08 Hendrik J. Ehrich , Marvin C. May , Stefan J. Eder

Anisotropy in the mechanical response of materials with microstructure is common and yet is difficult to assess and model. To construct accurate response models given only stress-strain data, we employ classical representation theory, novel…

Materials Science · Physics 2022-09-07 Jan N. Fuhg , Nikolaos Bouklas , Reese E. Jones

Accurate interatomic potentials are in high demand for large-scale atomistic simulations of materials that are prohibitively expensive by density functional theory (DFT) calculation. In this study, we apply machine learning potentials in a…

Computational Physics · Physics 2021-01-04 Takayuki Nishiyama , Atsuto Seko , Isao Tanaka

Catastrophic failure in brittle materials is often due to the rapid growth and coalescence of cracks aided by high internal stresses. Hence, accurate prediction of maximum internal stress is critical to predicting time to failure and…

In this study, we present a novel approach along with the needed computational strategies for efficient and scalable feature engineering of the crystal structure in compounds of different chemical compositions. This approach utilizes a…

Materials Science · Physics 2021-05-25 Prathik R. Kaundinya , Kamal Choudhary , Surya R. Kalidindi

We demonstrate a machine learning-based approach which predicts the properties of crystal structures following relaxation based on the unrelaxed structure. Use of crystal graph singular values reduces the number of features required to…

Materials Science · Physics 2024-02-15 Ethan P. Shapera , Dejan-Krešimir Bučar , Rohit P. Prasankumar , Christoph Heil

Increased demands for high-performance materials have led to advanced composite materials with complex hierarchical designs. However, designing a tailored material microstructure with targeted properties and performance is extremely…

Materials Science · Physics 2022-07-08 Meer Mehran Rashid , Tanu Pittie , Souvik Chakraborty , N. M. Anoop Krishnan

The scale diversity of point cloud data presents significant challenges in developing unified representation learning techniques for 3D vision. Currently, there are few unified 3D models, and no existing pre-training method is equally…

Computer Vision and Pattern Recognition · Computer Science 2025-06-12 Ziyi Wang , Yanran Zhang , Jie Zhou , Jiwen Lu

The dislocation microstructure developing during plastic deformation strongly influences the stress-strain properties of crystalline materials. The novel method of high resolution electron backscatter diffraction (HR-EBSD) offers a new…

This study presents a geometric deep learning framework for predicting cold spray particle impact responses using finite element simulation data. A parametric dataset was generated through automated Abaqus simulations spanning a systematic…

Machine Learning · Computer Science 2026-03-17 Akshansh Mishra

Machine learning has revolutionized many fields, including materials science. However, predicting properties of crystalline materials using machine learning faces challenges in input encoding, output versatility, and interpretability. We…

Materials Science · Physics 2025-05-22 Haosheng Xu , Dongheng Qian , Jing Wang

Deformation microstructure heterogeneities play a pivotal role during dislocation patterning and interface network restructuring. Thus, they affect indirectly how an alloy recrystallizes if at all. Given this relevance, it has become common…

Computational Engineering, Finance, and Science · Computer Science 2020-06-24 Markus Kühbach , Franz Roters

Diffraction-based stress analysis of textured materials depends on understanding their elastic heterogeneity and its influence on microscopic strain distributions, which is generally done by using simplifying assumptions for crystallite…

Materials Science · Physics 2025-05-23 Maximilian Krause , Nicola Simon , Claudius Klein , Jens Gibmeier , Thomas Böhlke

Previous studies demonstrate that grain-boundary sliding could accelerate creep rate and give rise to large internal stresses that can lead to damage development, e.g. formation of wedge cracks. The present study provides more insight into…

Materials Science · Physics 2021-03-02 Markian Petkov , Elsiddig Elmukashfi , Edmund Tarleton , Alan C. F. Cocks