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The influence of the microstructure of a polycrystalline material on its macroscopic deformation response is still one of the major problems in materials engineering. For materials characterized by elastic-plastic deformation responses,…

Materials Science · Physics 2022-02-07 Jan N. Fuhg , Lloyd van Wees , Mark Obstalecki , Paul Shade , Nikolaos Bouklas , Matthew Kasemer

Fiber reinforcement and polymer matrix respond differently to manufacturing conditions due to mismatch in coefficient of thermal expansion and matrix shrinkage during curing of thermosets. These heterogeneities generate residual stresses…

Computational Engineering, Finance, and Science · Computer Science 2026-05-04 Elham Kiyani , Amit Makarand Deshpande , Madhura Limaye , Zhiwei Gao , Zongren Zou , Sai Aditya Pradeep , Srikanth Pilla , Gang Li , Zhen Li , George Em Karniadakis

A fundamental issue in multiscale materials modeling and design is the consideration of traction-separation behavior at the interface. By enriching the deep material network (DMN) with cohesive layers, the paper presents a novel data-driven…

Materials Science · Physics 2020-02-19 Zeliang Liu

Fracture mechanics is crucial for many fields of engineering, as precisely predicting failure of structures and parts is required for efficient designs. The simulation of failure processes is, from a mechanical and a numerical point of…

Materials Science · Physics 2022-06-15 Sebastian Pech , Markus Lukacevic , Josef Füssl

Composite materials like syntactic foams have complex internal microstructures that manifest high-stress concentrations due to material discontinuities occurring from hollow regions and thin walls of hollow particles or microballoons…

Applied Physics · Physics 2023-05-16 Haotian Feng , Pavana Prabhakar

We propose a structured prediction approach for robot imitation learning from demonstrations. Among various tools for robot imitation learning, supervised learning has been observed to have a prominent role. Structured prediction is a form…

We propose a general hybrid physics-informed machine learning framework for modeling nonlinear, history-dependent viscoelastic behavior under multiaxial cyclic loading. The approach is built on a generalized internal state variable-based…

Soft Condensed Matter · Physics 2025-07-18 Alireza Ostadrahimi , Amir Teimouri , Kshitiz Upadhyay , Guoqiang Li

In stress field analysis, the finite element analysis is a crucial approach, in which the mesh-density has a significant impact on the results. High mesh density usually contributes authentic to simulation results but costs more computing…

Computational Engineering, Finance, and Science · Computer Science 2021-04-20 Qingfeng Xu , Zhenguo Nie , Handing Xu , Haosu Zhou , Xinjun Liu

Failure trajectories, identifying the probable failure zones, and damage statistics are some of the key quantities of relevance in brittle fracture applications. High-fidelity numerical solvers that reliably estimate these relevant…

Machine Learning · Computer Science 2022-02-16 Somdatta Goswami , Minglang Yin , Yue Yu , George Karniadakis

Error-bounded lossy compression techniques have become vital for scientific data management and analytics, given the ever-increasing volume of data generated by modern scientific simulations and instruments. Nevertheless, assessing data…

Machine Learning · Computer Science 2025-12-29 Khondoker Mirazul Mumenin , Robert Underwood , Dong Dai , Jinzhen Wang , Sheng Di , Zarija Lukić , Franck Cappello

We propose two frameworks to deal with problem settings in which both structured and unstructured data are available. Structured data problems are best solved by traditional machine learning models such as boosting and tree-based…

Machine Learning · Computer Science 2023-03-01 Andrea Treviño Gavito , Diego Klabjan , Jean Utke

The present study proposes a data-driven framework trained with high-fidelity simulation results to facilitate decision making for combustor designs. At its core is a surrogate model employing a machine-learning technique called kriging,…

Computational Engineering, Finance, and Science · Computer Science 2017-09-25 Shiang-Ting Yeh , Xingjian Wang , Chih-Li Sung , Simon Mak , Yu-Hung Chang , Liwei Zhang , C. F. Jeff Wu , Vigor Yang

Modeling open hole failure of composites is a complex task, consisting in a highly nonlinear response with interacting failure modes. Numerical modeling of this phenomenon has traditionally been based on the finite element method, but…

Computational Engineering, Finance, and Science · Computer Science 2025-08-19 Giorgio Tosti Balducci , Boyang Chen , Matthias Möller , Marc Gerritsma , Roeland De Breuker

Overparameterized models have proven to be powerful tools for solving various machine learning tasks. However, overparameterization often leads to a substantial increase in computational and memory costs, which in turn requires extensive…

Machine Learning · Computer Science 2024-03-13 Soo Min Kwon , Zekai Zhang , Dogyoon Song , Laura Balzano , Qing Qu

Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely…

Materials Science · Physics 2023-01-12 Huaiqian You , Xiao Xu , Yue Yu , Stewart Silling , Marta D'Elia , John Foster

Under extreme operating conditions, characterized by high particle multiplicity and heavily overlapping shower energy deposits, classical particle flow algorithms encounter pronounced limitations in resolution, efficiency, and accuracy. To…

Instrumentation and Detectors · Physics 2025-05-13 Yu Wang , Yangguang Zhang , Shengxiang Lin , Xingyi Zhang , Han Zhang

This work presents a physics-informed neural network approach bridging deep-learning force field and electronic structure simulations, illustrated through twisted two-dimensional large-scale material systems. The deep potential molecular…

Materials Science · Physics 2024-04-02 Yubo Qi , Weiyi Gong , Qimin Yan

Simulating reactive dissolution of solid minerals in porous media has many subsurface applications, including carbon capture and storage (CCS), geothermal systems and oil & gas recovery. As traditional direct numerical simulators are…

Machine Learning · Computer Science 2025-12-16 Marcos Cirne , Hannah Menke , Alhasan Abdellatif , Julien Maes , Florian Doster , Ahmed H. Elsheikh

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.…

Machine learning models of materials$^{1-5}$ accelerate discovery compared to ab initio methods: deep learning models now reproduce density functional theory (DFT)-calculated results at one hundred thousandths of the cost of DFT$^{6}$. To…