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Machine learning techniques have been widely employed as effective tools in addressing various engineering challenges in recent years, particularly for the challenging task of microstructure-informed materials modeling. This work provides a…

Materials Science · Physics 2024-05-29 Xiang-Long Peng , Mozhdeh Fathidoost , Binbin Lin , Yangyiwei Yang , Bai-Xiang Xu

Controlling the properties of organic/inorganic materials requires detailed knowledge of their molecular adsorption geometries. This is often unattainable, even with current state-of-the-art tools. Visualizing the structure of complex…

Discovering new superionic materials is essential for advancing solid-state batteries, which offer improved energy density and safety compared to the traditional lithium-ion batteries with liquid electrolytes. Conventional computational…

We investigate methods of microstructure representation for the purpose of predicting processing condition from microstructure image data. A binary alloy (uranium-molybdenum) that is currently under development as a nuclear fuel was studied…

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

We developed a convolutional neural network (CNN) model capable of predicting the performance of various ion-doped NASICON compounds by leveraging extensive datasets from prior experimental investigation.The model demonstrated high accuracy…

Materials Science · Physics 2025-01-13 Zirui Zhao , Xiaoke Wang , Si Wu , Pengfei Zhou , Qian Zhao , Guanping Xu , Kaitong Sun , Hai-Feng Li

Honeycomb-like microstructures have been shown to exhibit local elastic buckling under compression, with three possible geometric buckling modes, or pattern transformations. The individual pattern transformations, and consequently also…

Soft Condensed Matter · Physics 2020-04-14 O. Rokoš , M. M. Ameen , R. H. J. Peerlings , M. G. D. Geers

History-dependent constitutive models serve as macroscopic closures for the aggregated effects of micromechanics. Their parameters are typically learned from experimental data. With a limited experimental budget, eliciting the full range of…

Materials Science · Physics 2026-04-28 Kaushik Bhattacharya , Lianghao Cao , Andrew Stuart

Oxide perovskite materials of type ABO3 have a wide range of technological applications, such as catalysts in solid oxide fuel cells and as light-absorbing materials in solar photovoltaics. These materials often exhibit differential…

Materials Science · Physics 2023-09-12 Sampreeti Bhattacharya , Arkaprava Roy

Dielectric structures composed of many inclusions that manipulate light in ways the bulk materials cannot are commonly seen in the field of metamaterials. In these structures, each inclusion depends on a set of parameters such as location…

Computational Physics · Physics 2019-03-05 Boaz Blankrot , Clemens Heitzinger

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

This paper introduces a novel model-free approach to synthesize virtual sensors for the estimation of dynamical quantities that are unmeasurable at runtime but are available for design purposes on test benches. After collecting a dataset of…

Optimization and Control · Mathematics 2021-03-24 Daniele Masti , Daniele Bernardini , Alberto Bemporad

A deep learning model is employed to address the challenging problem of V2O5 nanoparticle segmentation and the correlation between the chemical composition and the geometrical features of lithiated V2O5 nanoparticles as an exemplar of a…

Critical energy infrastructures are increasingly relying on advanced sensing and control technologies for efficient and optimal utilization of flexible energy resources. Algorithmic procedures are needed to ensure that such systems are…

Systems and Control · Electrical Eng. & Systems 2022-03-29 Nawaf Nazir , Thiagarajan Ramachandran , Saptarshi Bhattacharya , Ankit Singhal , Soumya Kundu , Veronica Adetola

Calcium batteries (CBs) are an attractive post-Li-ion technology, offering the appeal of Ca's natural abundance and high volumetric energy density. However, practical realization of CBs remains limited by the scarcity of positive electrode…

The quality of power grid equipment forms the material foundation for the safety of the large power grid. Ensuring the quality of equipment entering the grid is a core task in material management. Currently, the inspection of incoming…

Systems and Control · Electrical Eng. & Systems 2024-03-11 Jing Xu , Yongbo Zhang

Advances in manufacturing techniques may now realize virtually any imaginable microstructures, paving the way for architected materials with properties beyond those found in nature. This has lead to a quest for closing gaps in…

Materials Science · Physics 2020-11-10 Morten N. Andersen , Fengwen Wang , Ole Sigmund

Improving efficiency of electrical machines requires fundamental knowledge on the mechanisms behind magnetic and eddy current losses of the magnetic core materials, with Fe-Si alloy as a prototype. These losses are intrinsically influenced…

Materials Science · Physics 2025-08-12 Patrick Kühn , Yangyiwei Yang , Guanyu Chen , Shanelle N. Foster , Herbert Egger , Bai-Xiang Xu

The optimization of the electrode manufacturing process is important for upscaling the application of Lithium Ion Batteries (LIBs) to cater for growing energy demand. In particular, LIB manufacturing is very important to be optimized…

Machine Learning · Computer Science 2023-07-13 Marc Duquesnoy , Chaoyue Liu , Vishank Kumar , Elixabete Ayerbe , Alejandro A. Franco

Fast and efficient simulations of metal additive manufacturing (AM) processes are highly relevant to exploring the full potential of this promising manufacturing technique. The microstructure composition plays an important role in…

Computational Engineering, Finance, and Science · Computer Science 2024-02-28 Sebastian D. Proell , Julian Brotz , Martin Kronbichler , Wolfgang A. Wall , Christoph Meier