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Random microstructures of heterogeneous materials play a crucial role in the material macroscopic behavior and in predictions of its effective properties. A common approach to modeling random multiphase materials is to develop so-called…

Electronic nearsightedness is one of the fundamental principles governing the behavior of condensed matter and supporting its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of…

Computational Physics · Physics 2020-09-01 Andrea Grisafi , Jigyasa Nigam , Michele Ceriotti

Uncertainties in a structure is inevitable, which generally lead to variation in dynamic response predictions. For a complex structure, brute force Monte Carlo simulation for response variation analysis is infeasible since one single run…

Machine Learning · Statistics 2020-05-08 Kai Zhou , Jiong Tang

Engineering problems frequently require solution of governing equations with spatially-varying discontinuous coefficients. Even for linear elliptic problems, mapping large ensembles of coefficient fields to solutions can become a major…

Machine Learning · Computer Science 2024-11-12 Conlain Kelly , Surya R. Kalidindi

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

The response of materials to dynamical, or shock, loading is important to planetary science, aerospace engineering, and energetic materials. Thermal-activated processes, including chemical reactions and phase transitions, are significantly…

Materials Science · Physics 2023-03-31 Chunyu Li , Juan Carlos Verduzco , Brian H. Lee , Robert J. Appleton , Alejandro Strachan

The complicated mesoscopic configurations of composite plate and shell structures requires a huge amount of computational overhead for directly simulating their mechanical problems. In this paper, a unified high-order multi-scale method,…

Numerical Analysis · Mathematics 2023-05-02 Ge Bu-Feng , Gao Ming-Yuan , Dong Hao

Numerical simulations are ubiquitous in science and engineering. Machine learning for science investigates how artificial neural architectures can learn from these simulations to speed up scientific discovery and engineering processes. Most…

Artificial Intelligence · Computer Science 2022-12-12 Lucas Meyer , Alejandro Ribés , Bruno Raffin

We introduce a novel computational framework for the multiscale simulation of higher-order continua that allows for the consideration of first-, second- and third- order effects at both micro- and macro-level. In line with classical…

Computational Engineering, Finance, and Science · Computer Science 2022-03-08 Felix Schmidt , Melanie Krüger , Marc-Andre Keip , Christian Hesch

Design and analysis of inelastic materials requires prediction of physical responses that evolve under loading. Numerical simulation of such behavior using finite element (FE) approaches can call for significant time and computational…

Materials Science · Physics 2025-07-08 Indrashish Saha , Ashwini Gupta , Lori Graham-Brady

In this contribution, we present a new Materials Knowledge System framework for microstructure-sensitive predictions of effective stress--strain responses in composite materials. The model is developed for composites with a wide range of…

Materials Science · Physics 2018-12-17 Marat I. Latypov , Laszlo S. Toth , Surya R. Kalidindi

Hybrid modeling combining data-driven techniques and numerical methods is an emerging and promising research direction for efficient climate simulation. However, previous works lack practical platforms, making developing hybrid modeling a…

Atmospheric and Oceanic Physics · Physics 2022-09-20 Xin Wang , Wei Xue , Yilun Han , Guangwen Yang

Crystal plasticity (CP) simulations are a tool for understanding how microstructure morphology and texture affect mechanical properties and are an essential component of elucidating the structure-property relations. However, it can be…

Computational Engineering, Finance, and Science · Computer Science 2024-06-17 Junyan He , Deepankar Pal , Ali Najafi , Diab Abueidda , Seid Koric , Iwona Jasiuk

This paper presents a neural network--enhanced surrogate modeling approach for diffusion problems with spatially varying random field coefficients. The method builds on numerical homogenization, which compresses fine-scale coefficients into…

Numerical Analysis · Mathematics 2025-09-17 Fabian Kröpfl , Daniel Peterseim , Elisabeth Ullmann

Composite materials with different microstructural material symmetries are common in engineering applications where grain structure, alloying and particle/fiber packing are optimized via controlled manufacturing. In fact these…

Materials Science · Physics 2024-04-30 Ravi Patel , Cosmin Safta , Reese E. Jones

Fully resolving dynamics of materials with rapidly-varying features involves expensive fine-scale computations which need to be conducted on macroscopic scales. The theory of homogenization provides an approach to derive effective…

Numerical Analysis · Mathematics 2022-06-07 Kaushik Bhattacharya , Burigede Liu , Andrew M. Stuart , Margaret Trautner

While trade-offs between modeling effort and model accuracy remain a major concern with system identification, resorting to data-driven methods often leads to a complete disregard for physical plausibility. To address this issue, we propose…

Systems and Control · Electrical Eng. & Systems 2022-08-23 Oliver Schön , Ricarda-Samantha Götte , Julia Timmermann

To obtain fast solutions for governing physical equations in solid mechanics, we introduce a method that integrates the core ideas of the finite element method with physics-informed neural networks and concept of neural operators. This…

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 design of structural & functional materials for specialized applications is being fueled by rapid advancements in materials synthesis, characterization, manufacturing, with sophisticated computational materials modeling frameworks that…