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Related papers: Reduced-order structure-property linkages for stoc…

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In the first part of this series of two papers, we proposed a theoretical formalism that enables one to model and categorize heterogeneous materials (media) via two-point correlation functions S2 and introduced an efficient…

Materials Science · Physics 2009-11-13 Y. Jiao , F. H. Stillinger , S. Torquato

The design of structures and vehicles subject to fluid-structure interaction (FSI) often requires high-fidelity coupled analysis. While the design variables pertain to the structure, the computational cost is dominated by the fluid solver,…

Computational Physics · Physics 2026-05-21 Aditya Narkhede , Erick Rivas , Kevin Wang

De-homogenization is becoming an effective method to significantly expedite the design of high-resolution multiscale structures, but existing methods have thus far been confined to simple static compliance minimization. There are two…

Computational Engineering, Finance, and Science · Computer Science 2021-12-21 Liwei Wang , Zhao Liu , Daicong Da , Yu-Chin Chan , Wei Chen , Ping Zhu

Concurrent multiscale finite element analysis (FE2) is a powerful approach for high-fidelity modeling of materials for which a suitable macroscopic constitutive model is not available. However, the extreme computational effort associated…

Numerical Analysis · Mathematics 2020-07-16 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

Recent application of neural networks (NNs) to modeling interatomic interactions has shown the learning machines' encouragingly accurate performance for select elemental and multicomponent systems. In this study, we explore the possibility…

Materials Science · Physics 2017-02-08 Samad Hajinazar , Junping Shao , Aleksey N. Kolmogorov

A systematic approach based on the principles of supervised learning and design of experiments concepts is introduced to build a surrogate model for estimating the optical properties of fractal aggregates. The surrogate model is built on…

In recent years, there has been a growing interest in understanding complex microstructures and their effect on macroscopic properties. In general, it is difficult to derive an effective constitutive law for such microstructures with…

Computational Engineering, Finance, and Science · Computer Science 2023-10-18 Theron Guo , Ondřej Rokoš , Karen Veroy

Aluminum alloys are increasingly utilized as lightweight materials in the automobile industry due to their superior capability in withstanding high mechanical loads. A significant challenge impeding the large-scale use of these alloys in…

Computational Engineering, Finance, and Science · Computer Science 2022-03-31 Shiguang Deng , Carl Soderhjelm , Diran Apelian , Ramin Bostanabad

Functionally Graded Materials (FGMs) made of soft constituents have emerged as promising material-structure systems in potential applications across many engineering disciplines, such as soft robots, actuators, energy harvesting, and tissue…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Shiguang Deng , Horacio D. Espinosa , Wei Chen

Machine learning was utilized to efficiently boost the development of soft magnetic materials. The design process includes building a database composed of published experimental results, applying machine learning methods on the database,…

Reduced-order modelling and low-dimensional surrogate models generated using machine learning algorithms have been widely applied in high-dimensional dynamical systems to improve the algorithmic efficiency. In this paper, we develop a…

Microstructure reconstruction and compression techniques are designed to find a microstructure with desired properties. While the microstructure reconstruction searches for a microstructure with prescribed statistical properties, the…

Materials Science · Physics 2016-01-19 Jan Havelka , Anna Kučerová , Jan Sýkora

Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials…

Machine Learning · Computer Science 2020-05-18 Alex Beatson , Jordan T. Ash , Geoffrey Roeder , Tianju Xue , Ryan P. Adams

We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…

Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…

Materials Science · Physics 2026-05-26 Arun Mannodi-Kanakkithodi , Menglin Huang , Prashun Gorai , Seán R. Kavanagh

Mesoscale simulations of woven composites using parameterized analytical geometries offer a way to connect constituent material properties and their geometric arrangement to effective composite properties and performance. However, the…

Materials Science · Physics 2023-02-21 Collin W. Foster , Lincoln N. Collins , Francesco Panerai , Scott A. Roberts

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

Rapid progress in additive manufacturing methods has created a new class of ultralight and strong architected metamaterials that resemble periodic truss structures. The mechanical performance of these metamaterials with a very large number…

Materials Science · Physics 2021-06-09 Angkur Jyoti Dipanka Shaikeea , Huachen Cui , Mark R. O'Masta , Xiaoyu , Zheng , Vikram S. Deshpande

The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…

Strongly Correlated Electrons · Physics 2010-07-15 I. V. Solovyev

The article is aimed to address a mutually boosting use of asymptotic analysis and machine learning, for fast stiffness design of configurations infilled with smoothly-varying graded microstructures. The discussion is conducted in the…

Numerical Analysis · Mathematics 2021-11-15 Chuang Ma , Dingchuan Xue , Shaoshuai Li , Zhengcheng Zhou , Yichao Zhu , Xu Guo