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A hybrid Monte Carlo (HMC) approach is employed to quantify the influence of inelastic deformation on the microstructural evolution of polycrystalline materials. This approach couples a time explicit material point method (MPM) for…

Materials Science · Physics 2015-05-19 Liangzhe Zhang , Remi Dingreville , Timothy Bartel , Mark T. Lusk

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train…

Material representations that are compatible with machine learning models play a key role in developing models that exhibit high accuracy for property prediction. Atomic orbital interactions are one of the important factors that govern the…

In the present work, 3D convolutional neural networks (CNNs) are trained to link random heterogeneous, two-phase materials of arbitrary phase fractions to their elastic macroscale stiffness thus replacing explicit homogenization…

Materials Science · Physics 2021-09-08 Bernhard Eidel

We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility…

Materials Science · Physics 2009-11-07 Rajeev Ahluwalia , Turab Lookman , Avadh Saxena

Crystal plasticity models connect macroscopic deformation with the physics of microscale slip in polycrystalline materials. These models can be calibrated using global stress-strain curves, but the resulting parametrization is often not…

Materials Science · Physics 2026-03-24 Joshua D. Pribe , Patrick E. Leser , Saikumar R. Yeratapally , George Weber

Efficient and precise prediction of plasticity by data-driven models relies on appropriate data preparation and a well-designed model. Here we introduce an unsupervised machine learning-based data preparation method to maximize the…

Heterogeneous materials, crucial in various engineering applications, exhibit complex multiscale behavior, which challenges the effectiveness of traditional computational methods. In this work, we introduce the Micromechanics Transformer…

Computational Engineering, Finance, and Science · Computer Science 2024-10-10 Sifan Wang , Tong-Rui Liu , Shyam Sankaran , Paris Perdikaris

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

Predicting the strength of materials requires considering various length and time scales, striking a balance between accuracy and efficiency. Peierls stress measures material strength by evaluating dislocation resistance to plastic flow,…

Materials Science · Physics 2025-01-28 Yingjie Zhao , Hongbo Zhou , Zian Zhang , Zhenxing Bo , Baoan Sun , Minqiang Jiang , Zhiping Xu

We present a novel machine learning based surrogate modeling method for predicting spatially resolved 3D microstructure evolution of polycrystalline materials under uniaxial tensile loading. Our approach is orders of magnitude faster than…

Materials Science · Physics 2020-05-05 Anup Pandey , Reeju Pokharel

Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity…

Machine Learning · Computer Science 2026-02-24 Michael Trimboli , Mohammed Alsubaie , Sirani M. Perera , Ke-Gang Wang , Xianqi Li

Monitoring physiological responses to hemodynamic stress can help in determining appropriate treatment and ensuring good patient outcomes. Physicians' intuition suggests that the human body has a number of physiological response patterns to…

Machine Learning · Computer Science 2019-11-14 Chufan Gao , Fabian Falck , Mononito Goswami , Anthony Wertz , Michael R. Pinsky , Artur Dubrawski

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…

Soft Condensed Matter · Physics 2025-02-18 S. O. Sperling , T. Guo , R. H. J. Peerlings , V. G. Kouznetsova , M. G. D. Geers , O. Rokoš

Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal…

Materials Science · Physics 2025-11-07 Yujie Liu , Zhenyu Wang , Hang Lei , Guoyu Zhang , Jiawei Xian , Zhibin Gao , Jun Sun , Haifeng Song , Xiangdong Ding

Evaluating the mechanical response of fiber-reinforced composites can be extremely time consuming and expensive. Machine learning (ML) techniques offer a means for faster predictions via models trained on existing input-output pairs and…

Materials Science · Physics 2024-10-03 Yixuan Sun , Imad Hanhan , Michael D. Sangid , Guang Lin

Two approaches to incorporate heterogeneity in discrete models are compared. In the first, standard approach, the heterogeneity is dictated by geometrical structure of the discrete system. In the second approach, the heterogeneity is…

Computational Engineering, Finance, and Science · Computer Science 2025-06-26 Jan Raisinger , Qiwei Zhang , John E. Bolander , Jan Eliáš

Composite materials often exhibit mechanical anisotropy owing to the material properties or geometrical configurations of the microstructure. This makes their inverse design a two-fold problem. First, we must learn the type and orientation…

Computational Engineering, Finance, and Science · Computer Science 2024-12-19 Asghar A. Jadoon , Karl A. Kalina , Manuel K. Rausch , Reese Jones , Jan N. Fuhg

Morphological development into evolutionary patterns under structural instability is ubiquitous in living systems and often of vital importance for engineering structures. Here we propose a data-driven approach to understand and predict…

Pattern Formation and Solitons · Physics 2024-07-23 Yingjie Zhao , Zhiping Xu