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Stochastic microstructure reconstruction has become an indispensable part of computational materials science, but ongoing developments are specific to particular material systems. In this paper, we address this generality problem by…

Materials Science · Physics 2018-05-09 Xiaolin Li , Yichi Zhang , He Zhao , Craig Burkhart , L Catherine Brinson , Wei Chen

Additive manufacturing (AM) of metallic components promises many advantages over conventional manufacturing processes through high design flexibility across multiple length scales and precision coupled with an astonishing combination of…

Far-field characterization of small objects is severely constrained by the diffraction limit. Existing tools achieving sub-diffraction resolution often utilize point-by-point image reconstruction via scanning or labelling. Here, we present…

Progress in functional materials discovery has been accelerated by advances in high throughput materials synthesis and by the development of high-throughput computation. However, a complementary robust and high throughput structural…

Materials Science · Physics 2021-11-30 Jiadong Dan , Xiaoxu Zhao , Shoucong Ning , Jiong Lu , Kian Ping Loh , N. Duane Loh , Stephen J. Pennycook

In recent years, there has been a growing interest in accelerated materials innovation in the context of the process-structure-property chain. In this regard, it is essential to take into account manufacturing processes and tailor materials…

Materials Science · Physics 2024-11-12 Lukas Morand , Tarek Iraki , Johannes Dornheim , Stefan Sandfeld , Norbert Link , Dirk Helm

In quality control, microstructures are investigated rigorously to ensure structural integrity, exclude the presence of critical volume defects, and validate the formation of the target microstructure. For quenched,…

Materials Science · Physics 2023-06-02 Ali Riza Durmaz , Sai Teja Potu , Daniel Romich , Johannes Möller , Ralf Nützel

Deep learning models are widely used for the data-driven design of materials based on atomic force microscopy (AFM) and other scanning probe microscopy. These tools enhance efficiency in inverse design and characterization of materials.…

Materials Science · Physics 2024-12-12 Isaiah A. Moses , Wesley F. Reinhart

Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature…

Materials Science · Physics 2017-05-01 Ruijin Cang , Yaopengxiao Xu , Shaohua Chen , Yongming Liu , Yang Jiao , Max Yi Ren

Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…

Materials Science · Physics 2022-06-22 Udaykumar Gajera , Loriano Storchi , Danila Amoroso , Francesco Delodovici , Silvia Picozzi

A central challenge in materials science is characterizing chemical processes that are elusive to direct measurement, particularly in functional materials operating under realistic conditions. Here, we demonstrate that mechanical strain…

Materials Science · Physics 2025-09-04 Royal C. Ihuaenyi , Hongbo Zhao , Ruqing Fang , Ruobing Bai , Martin Z. Bazant , Juner Zhu

Micromechanical constitutive parameters are important for many engineering materials, typically in microelectronic applications and material design. Their accurate identification poses a three-fold experimental challenge: (i) deformation of…

Soft Condensed Matter · Physics 2023-02-08 O. Rokoš , R. H. J. Peerlings , J. P. M. Hoefnagels , M. G. D. Geers

Metamaterials exhibit materials response deviation from conventional elasticity. This phenomenon is captured by the generalized elasticity as a result of extending the theory at the expense of introducing additional parameters. These…

Computational Engineering, Finance, and Science · Computer Science 2021-06-10 Bilen Emek Abali , Emilio Barchiesi

Metamaterials are artificially engineered structures that manipulate electromagnetic waves, having optical properties absent in natural materials. Recently, machine learning for the inverse design of metamaterials has drawn attention.…

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that integrates unsupervised and supervised learning methods to…

Applications · Statistics 2025-09-05 Kungang Zhang , Wei Chen , Wing K. Liu , L. Catherine Brinson , Daniel W. Apley

Accelerating materials development requires quantitative linkages between processing, microstructure, and properties. In this work, we introduce a framework for mapping microstructure onto a low-dimensional material manifold that is…

Materials Science · Physics 2026-05-20 Simon A. Mason , Megna N. Shah , Jeffrey P. Simmons , Dennis M. Dimiduk , Stephen R. Niezgoda

Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter…

Materials Science · Physics 2026-03-24 Mikhail Lebyodkin , Maxim Gussev , Jamieson Brechtl , Tatiana Lebedkina

Defects dictate the properties of many functional materials. To understand the behaviour of defects and their impact on physical properties, it is necessary to identify the most stable defect geometries. However, global structure searching…

Materials Science · Physics 2024-06-12 Irea Mosquera-Lois , Seán R. Kavanagh , Alex M. Ganose , Aron Walsh

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Computational Physics · Physics 2023-12-27 Gabe Guo , Judah Goldfeder , Ling Lan , Aniv Ray , Albert Hanming Yang , Boyuan Chen , Simon JL Billinge , Hod Lipson

High-energy X-ray diffraction methods can non-destructively map the 3D microstructure and associated attributes of metallic polycrystalline engineering materials in their bulk form. These methods are often combined with external stimuli…