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The behavior of materials is influenced by a wide range of phenomena occurring across various time and length scales. To better understand the impact of microstructure on macroscopic response, multiscale modeling strategies are essential.…

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

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Computational Engineering, Finance, and Science · Computer Science 2022-12-29 Shiguang Deng

Additive manufacturing methods together with topology optimization have enabled the creation of multiscale structures with controlled spatially-varying material microstructure. However, topology optimization or inverse design of such…

Materials Science · Physics 2024-08-28 Harikrishnan Vijayakumaran , Jonathan B. Russ , Glaucio H. Paulino , Miguel A. Bessa

We propose and study a neural operator framework for learning memory- and material microstructure-dependent constitutive laws for heterogeneous materials. We work in the two-scale setting where homogenization theory provides a systematic…

Numerical Analysis · Mathematics 2025-05-07 Kaushik Bhattacharya , Lianghao Cao , George Stepaniants , Andrew Stuart , Margaret Trautner

In this work we employ data-driven homogenization approaches to predict the particular mechanical evolution of polycrystalline aggregates with tens of individual crystals. In these oligocrystals the differences in stress response due to…

Mesoscale and Nanoscale Physics · Physics 2019-03-27 Ari L. Frankel , Reese E. Jones , Coleman Alleman , Jeremy A. Templeton

For many materials, macroscopic mechanical behavior is determined by an intricate microstructure. Understanding the relation between these two scales helps scientists and engineers design better materials. The relation which maps…

Computational Physics · Physics 2026-05-13 Arnaud Vadeboncoeur , Mark Girolami , Kaushik Bhattacharya , Andrew M. Stuart

The macroscopic properties of materials that we observe and exploit in engineering application result from complex interactions between physics at multiple length and time scales: electronic, atomistic, defects, domains etc. Multiscale…

Adhesion is a fundamental phenomenon that plays a role in many engineering and biological applications. This paper concerns the use of machine learning to characterize the effective adhesive properties when a thin film is peeled from a…

Applied Physics · Physics 2023-09-04 Maximo Cravero Baraja , Kaushik Bhattacharya

Effective properties of materials with random heterogeneous structures are typically determined by homogenising the mechanical quantity of interest in a window of observation. The entire problem setting encompasses the solution of a local…

Numerical Analysis · Mathematics 2021-10-22 Felipe Rocha , Simone Deparis , Pablo Antolin , Annalisa Buffa

The FE$^2$ homogenization algorithm for multiscale modeling iterates between the macroscale and the microscale (represented by a representative volume element) till convergence is achieved at every increment of macroscale loading. The…

Computational Engineering, Finance, and Science · Computer Science 2021-08-02 Saumik Dana , Mary F Wheeler

We present an approach to numerical homogenization of the elastic response of microstructures. Our work uses deep neural network representations trained on data obtained from direct numerical simulation (DNS) of martensitic phase…

Computational Physics · Physics 2019-01-04 K. Sagiyama , K. Garikipati

The identification of constitutive laws is ubiquitous in engineering: in modeling of materials where experimental data are fitted to mathematical models or learning surrogate models to beat the FE\textsuperscript{2} computational cost of…

Materials Science · Physics 2026-05-15 Mayank Raj , Lianghao Cao , Andrew Stuart , Kaushik Bhattacharya

A major challenge in flow through porous media is to better understand the link between microstructure and macroscale flow and transport. For idealised microstructures, the mathematical framework of homogenisation theory can be used for…

Driven by the need to accelerate numerical simulations, the use of machine learning techniques is rapidly growing in the field of computational solid mechanics. Their application is especially advantageous in concurrent multiscale finite…

Numerical Analysis · Mathematics 2023-03-22 M. A. Maia , I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

In this paper, we consider the problem of event classification with multi-variate time series data consisting of heterogeneous (continuous and categorical) variables. The complex temporal dependencies between the variables combined with…

Machine Learning · Computer Science 2016-12-06 Shengdong Zhang , Soheil Bahrampour , Naveen Ramakrishnan , Mohak Shah

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

This study presents an end-to-end learning framework for data-driven modeling of path-dependent inelastic materials using neural operators. The framework is built on the premise that irreversible evolution of material responses, governed by…

Machine Learning · Computer Science 2025-09-03 Binyao Guo , Zihan Lin , QiZhi He

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

In this work, a hybrid physics-based data-driven surrogate model for the microscale analysis of heterogeneous material is investigated. The proposed model benefits from the physics-based knowledge contained in the constitutive models used…

Materials Science · Physics 2024-04-30 M. A. Maia , I. B. C. M. Rocha , D. Kovačević , F. P. van der Meer
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