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Defects in crystalline materials control the properties of materials, and their characterization focuses our strategies to optimize performance. Electron microscopy has served as the backbone of our understanding of defect structure and…

Materials Science · Physics 2019-03-19 Daniel S. Gianola , T. Ben Britton , Stefan Zaefferer

Transmission electron diffraction is a powerful and versatile structural probe for the characterization of a broad range of materials, from nanocrystalline thin films to single crystals. With recent developments in fast electron detectors…

Materials Science · Physics 2021-10-06 Jian-Min Zuo , Renliang Yuan , Yu-Tsun Shao , Haw-Wen Hsiao , Saran Pidaparthy , Yang Hu , Qun Yang , Jiong Zhang

Accurate determination of crystal structures is central to materials science, underpinning the understanding of composition-structure-property relationships and the discovery of new materials. Powder X-ray diffraction is a key technique in…

Materials Science · Physics 2026-03-20 Chenlei Xu , Tianhao Su , Jie Xiong , Yue Wu , Shuya Dong , Tian Jiang , Mengwei He , Shuai Chen , Tong-Yi Zhang

Accurate description of crystal structures is a prerequisite for predicting the physicochemical properties of materials. However, conventional X-ray diffraction (XRD) characterization often encounters intrinsic bottlenecks when applied to…

Organic molecular crystals encompass a vast range of materials from pharmaceuticals to organic optoelectronics and proteins to waxes in biological and industrial settings. Crystal defects from grain boundaries to dislocations are known to…

Materials Science · Physics 2023-09-01 Sang T. Pham , Natalia Koniuch , Emily Wynne , Andy Brown , Sean M. Collins

Material properties strongly depend on the nature and concentration of defects. Characterizing these features may require nano- to atomic-scale resolution to establish structure-property relationships. 4D-STEM, a technique where diffraction…

Materials Science · Physics 2023-05-03 Stephanie M. Ribet , Colin Ophus , Roberto dos Reis , Vinayak P. Dravid

The nature of stacking faults - whether intrinsic or extrinsic - plays a pivotal role in defect-mediated processes in crystalline materials. Yet, current electron microscopy techniques for their reliable analysis remain limited to either…

Amorphous materials are integral part of todays technology, they commonly are performant and versatile in integration. Consequently, future applications increasingly aim to harvest the potential of the amorphous state. Establishing its…

Sessile drying droplets manifest distinct morphological patterns, encompassing diverse systems viz., DNA, proteins, blood, and protein-liquid crystal (LC) complexes. This study employs an integrated methodology that combines drying droplet,…

Soft Condensed Matter · Physics 2024-01-23 Anusuya Pal , Amalesh Gope

We recently developed a deep learning method that can determine the critical peak stress of a material by looking at scanning electron microscope (SEM) images of the material's crystals. However, it has been somewhat unclear what kind of…

Image and Video Processing · Electrical Eng. & Systems 2021-11-09 Ian A. Palmer , T. Nathan Mundhenk , Brian Gallagher , Yong Han

Quantum materials are driving a technology revolution in sensing, communication, and computing, while simultaneously testing many core theories of the past century. Materials such as topological insulators, complex oxides, quantum dots,…

Among the family of hard convex lens-shaped particles (lenses), the one with aspect ratio equal to 2/3 is `optimal' in the sense that the maximally random jammed (MRJ) packings of such lenses achieve the highest packing fraction $\phi_{\rm…

Soft Condensed Matter · Physics 2020-01-01 Giorgio Cinacchi , Salvatore Torquato

Determining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure has a high complexity. While recent AI…

Materials Science · Physics 2026-05-26 Kaixiang Su , Osman Goni Ridwan , Hongfei Xue , Qiang Zhu

We propose efficient algorithms based on a band-limited version of 2D synchrosqueezed transforms to extract mesoscopic and microscopic information from atomic crystal images. The methods analyze atomic crystal images as an assemblage of…

Numerical Analysis · Mathematics 2015-09-22 Haizhao Yang , Jianfeng Lu , Lexing Ying

Heterogeneous materials exhibit anisotropy which is influenced by factors such as individual phase properties and microstructural configuration that form crucial descriptors of heterogeneity. A review of anisotropy indices proposed in the…

Materials Science · Physics 2025-04-15 Abhilash M Nagaraja

Crystals are a state of matter characterised by periodic order. Yet crystalline materials can harbour disorder in many guises, such as non-repeating variations in composition, atom displacements, bonding arrangements, molecular…

Materials Science · Physics 2019-12-03 Arkadiy Simonov , Andrew L. Goodwin

Three-dimensional electron diffraction (3DED) is a powerful technique providing for crystal structure solutions of sub-micron sized crystals too small for structure determination via X-ray techniques. The entry requirement, however, of a…

Minerals, metals, and plastics are indispensable for a functioning modern society. Yet, their supply is limited causing a need for optimizing ore extraction and recuperation from recyclable materials.Typically, those processes must be…

Computer Vision and Pattern Recognition · Computer Science 2023-12-15 Karol Gotkowski , Shuvam Gupta , Jose R. A. Godinho , Camila G. S. Tochtrop , Klaus H. Maier-Hein , Fabian Isensee

Isolating the features associated with different materials growth conditions is important to facilitate the tuning of these conditions for effective materials growth and characterization. This study presents machine learning models for…

Materials Science · Physics 2024-02-05 Isaiah A. Moses , Wesley F. Reinhart

Novel materials drive advancements in fields ranging from energy storage to electronics, with crystal structure characterization forming a crucial yet challenging step in materials discovery. In this work, we introduce \emph{deCIFer}, an…