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Determining crystal structures from X-ray diffraction data is fundamental across diverse scientific fields, yet remains a significant challenge when data is limited to low resolution. While recent deep learning models have made…

Materials Science · Physics 2025-10-22 Jiale Zhao , Cong Liu , Yuxuan Zhang , Chengyue Gong , Zhenyi Zhang , Shifeng Jin , Zhenyu Liu

High-throughput analysis of multidimensional transmission electron microscopy (TEM) datasets remains a significant challenge, limiting the broader impact on strategic materials research. Conventional workflows typically involve sequential,…

Materials Science · Physics 2025-07-16 Arda Genc , Ravit Silverstein

Crystal structure determination from powder diffraction patterns is a complex challenge in materials science, often requiring extensive expertise and computational resources. This study introduces DiffractGPT, a generative pre-trained…

Materials Science · Physics 2025-08-13 Kamal Choudhary

The appearance of direct electron detectors marked a new era for electron diffraction. Their high sensitivity and low noise opens the possibility to extend electron diffraction from transmission electron microscopes (TEM) to lower energies…

Applied Physics · Physics 2025-02-18 Nikita Denisov , Andrey Orekhov , Johan Verbeeck

X-ray crystallography (XC) is an experimental technique used to determine three-dimensional crystalline structures. The acquired data in XC, called diffraction patterns, is the Fourier magnitudes of the unknown crystalline structure. To…

Image and Video Processing · Electrical Eng. & Systems 2019-07-09 Samuel Pinilla , Jorge Bacca , Cesar Vargas , Juan Carlos Poveda-Jaramillo , Henry Arguello

Sub-angstrom spatial resolution of electron density coupled with sub-femtosecond temporal resolution is required to directly observe the dynamics of the electronic structure of a molecule after photoinitiation or some other ultrafast…

Large volumes of data from material characterizations call for rapid and automatic data analysis to accelerate materials discovery. Herein, we report a convolutional neural network (CNN) that was trained based on theoretic data and very…

Data Analysis, Statistics and Probability · Physics 2019-12-18 Hong Wang , Yunchao Xie , Dawei Li , Heng Deng , Yunxin Zhao , Ming Xin , Jian Lin

Spectroscopic data, particularly diffraction data, contain detailed crystal and microstructure information and thus are crucial for materials discovery. Powder X-ray diffraction (XRD) patterns are greatly effective in identifying crystals.…

Materials Science · Physics 2025-02-18 Bin Cao , Yang Liu , Zinan Zheng , Ruifeng Tan , Jia Li , Tong-yi Zhang

Diffraction imaging of non-equilibrium dynamics at atomic resolution is becoming possible with X-ray free-electron lasers. However, there are unresolved problems with applying this method to objects that are confined in only one dimension.…

Strongly Correlated Electrons · Physics 2018-02-19 Kenneth R. Beyerlein

Detecting unexpected objects (anomalies) in real time has great potential for monitoring, managing, and protecting the environment. Hyperspectral line-scan cameras are a low-cost solution that enhance confidence in anomaly detection over…

Image and Video Processing · Electrical Eng. & Systems 2024-12-25 Samuel Garske , Bradley Evans , Christopher Artlett , KC Wong

Magnetic Resonance Imaging (MRI) is a crucial diagnostic tool, but high-resolution scans are often slow and expensive due to extensive data acquisition requirements. Traditional MRI reconstruction methods aim to expedite this process by…

Image and Video Processing · Electrical Eng. & Systems 2025-11-11 Emmanuelle Bourigault , Abdullah Hamdi , Amir Jamaludin

Resonant inelastic x-ray scattering (RIXS) has become a powerful tool in the study of the electronic structure of condensed matter. Although the linewidths of many RIXS features are narrow, the experimental broadening can often hamper the…

Strongly Correlated Electrons · Physics 2012-02-13 J. Laverock , A. R. H. Preston , D. Newby , K. E. Smith , S. B. Dugdale

In modern display technology and visualization tools, downscaling images is one of the most important activities. This procedure aims to maintain both visual authenticity and structural integrity while reducing the dimensions of an image at…

Image and Video Processing · Electrical Eng. & Systems 2025-10-29 Suvrojit Mitra , G B Kevin Arjun , Sanjay Ghosh

We applied the clustering technique using DTW (dynamic time wrapping) analysis to XRD (X-ray diffraction) spectrum patterns in order to identify the microscopic structures of substituents introduced in the main phase of magnetic alloys. The…

X-ray tomography is a reliable tool for determining the inner structure of 3D object with penetrating X-rays. However, traditional reconstruction methods such as FDK require dense angular sampling in the data acquisition phase leading to…

With the continuing advances in scientific instrumentation, scanning microscopes are now able to image physical systems with up to sub-atomic-level spatial resolutions and sub-picosecond time resolutions. Commensurately, they are generating…

In the field of transmission electron microscopy, data interpretation often lags behind acquisition methods, as image processing methods often have to be manually tailored to individual datasets. Machine learning offers a promising approach…

Image and Video Processing · Electrical Eng. & Systems 2021-07-07 C. K. Groschner , Christina Choi , M. C. Scott

Ptychography is a computational imaging technique that has risen in popularity in the x-ray and electron microscopy communities in the past half decade. One of the reasons for this success is the development of new high performance electron…

Computational Physics · Physics 2023-09-26 Anton Gladyshev , Thomas C. Pekin , Marcel Schloz , Benedikt Haas , Johannes Müller , Christoph T. Koch

The importance of plastic waste recycling is undeniable. In this respect, computer vision and deep learning enable solutions through the automated analysis of short-wave-infrared hyper-spectral images of plastics. In this paper, we offer an…

Computer Vision and Pattern Recognition · Computer Science 2022-03-23 Klaas Dijkstra , Maya Aghaei , Femke Jaarsma , Martin Dijkstra , Rudy Folkersma , Jan Jager , Jaap van de Loosdrecht

We demonstrate that powder diffraction data can be collected from sub-micron crystals of a mbrane protein with nearly two orders of magnitude more atoms than the molecules commonly used for powder diffraction. The crystals of photosystem-1…

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