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Related papers: Data-Driven Microstructure Property Relations

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A data-driven approach to calculating tight-binding models for discrete coupled-mode systems is presented. Specifically, spectral and topological data is used to build an appropriate discrete model that accurately replicates these…

Mesoscale and Nanoscale Physics · Physics 2024-07-02 Justin T. Cole , Michael J. Nameika

Materials synthesis optimization is constrained by serial feedback processes that rely on manual tools and intuition across multiple siloed modes of characterization. We automate and generalize feature extraction of reflection high-energy…

Many learning problems require predicting sets of objects when the number of objects is not known beforehand. Examples include object detection, molecular modeling, and scientific inference tasks such as astrophysical source detection.…

Machine Learning · Computer Science 2026-01-30 Tin Hadži Veljković , Erik Bekkers , Michael Tiemann , Jan-Willem van de Meent

In order to optimally design materials, it is crucial to understand the structure-property relations in the material by analyzing the effect of microstructure parameters on the macroscopic properties. In computational homogenization, the…

Computational Engineering, Finance, and Science · Computer Science 2022-08-24 Theron Guo , Ondřej Rokoš , Karen Veroy

In this paper, we present a machine learning based architecture for microwave characterization of inkjet printed components on flexible substrates. Our proposed architecture uses several machine learning algorithms and automatically selects…

Machine Learning · Computer Science 2024-04-09 Abhishek Sahu , Peter H. Aaen , Praveen Damacharla

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

Numerical Analysis · Mathematics 2022-09-12 Xiaolong He , Qizhi He , Jiun-Shyan Chen

The usefulness of semi-analytical thermal models for predicting the connection between process, microstructure and properties in powder bed fusion has been well illustrated in recent years. Such an approach provides the promise of accuracy…

Materials Science · Physics 2024-04-05 Shaun R. Cooke , Chadwick W. Sinclair , Daan M. Maijer

Ensemble weather predictions typically show systematic errors that have to be corrected via post-processing. Even state-of-the-art post-processing methods based on neural networks often solely rely on location-specific predictors that…

Machine Learning · Computer Science 2022-04-12 Sebastian Lerch , Kai L. Polsterer

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

Increasing the degree of digitisation and automation in the concrete production process can play a crucial role in reducing the CO$_2$ emissions that are associated with the production of concrete. In this paper, a method is presented that…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Max Meyer , Amadeus Langer , Max Mehltretter , Dries Beyer , Max Coenen , Tobias Schack , Michael Haist , Christian Heipke

Thermoelectric materials can be used to construct devices which recycle waste heat into electricity. However, the best known thermoelectrics are based on rare, expensive or even toxic elements, which limits their widespread adoption. To…

Materials Science · Physics 2022-12-14 Luis M. Antunes , Keith T. Butler , Ricardo Grau-Crespo

Structure-informed materials informatics is a rapidly evolving discipline of materials science relying on the featurization of atomic structures or configurations to construct vector, voxel, graph, graphlet, and other representations useful…

Materials Science · Physics 2024-12-17 Adam M. Krajewski , Jonathan W. Siegel , Zi-Kui Liu

Machine learning has emerged as an attractive alternative to experiments and simulations for predicting material properties. Usually, such an approach relies on specific domain knowledge for feature design: each learning target requires…

Materials Science · Physics 2020-03-10 Aditi S. Krishnapriyan , Maciej Haranczyk , Dmitriy Morozov

Accurate prediction of pure component physiochemical properties is crucial for process integration, multiscale modeling, and optimization. In this work, an enhanced framework for pure component property prediction by using explainable…

Applications · Statistics 2025-06-09 Jianfeng Jiao , Xi Gao , Jie Li

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

The quantitative characterization of the microstructure of random heterogeneous media in $d$-dimensional Euclidean space $\mathbb{R}^d$ via a variety of $n$-point correlation functions is of great importance, since the respective infinite…

Soft Condensed Matter · Physics 2018-08-07 Zheng Ma , Salvatore Torquato

We present a novel method for characterizing the microstructure of a material from volumetric datasets such as 3D image data from computed tomography (CT). The method is based on a new statistical model for the distribution of voxel…

Materials Science · Physics 2021-01-06 Elise Otterlei Brenne , Vedrana Andersen Dahl , Peter Stanley Jørgensen

Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of crystalline microstructure can accelerate the identification of…

Materials Science · Physics 2026-02-16 Kwanghwi Je , Ellis R. Kennedy , Sungin Kim , Yao Yang , Erik H. Thiede

Microstructure reconstruction is a key enabler of process-structure-property linkages, a central topic in materials engineering. Revisiting classical optimization-based reconstruction techniques,they are recognized as a powerful framework…

Materials Science · Physics 2021-03-19 Paul Seibert , Marreddy Ambati , Alexander Raßloff , Markus Kästner

Bottom-up based multi-person pose estimation approaches use heatmaps with auxiliary predictions to estimate joint positions and belonging at one time. Recently, various combinations between auxiliary predictions and heatmaps have been…

Computer Vision and Pattern Recognition · Computer Science 2021-10-22 Haiyang Liu , Dingli Luo , Songlin Du , Takeshi Ikenaga