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Electrode-electrolyte interfaces are crucial for electrochemical energy conversion and storage. At these interfaces, the liquid electrolytes form electrical double layers (EDLs). However, despite more than a century of active research, the…

We present a simple 'shift-and-add' based improvement in the angular resolution of single electron backscatter diffraction (EBSD) patterns. Sub-pixel image registration is used to measure the (sub-pixel) difference in projection parameters…

Instrumentation and Detectors · Physics 2025-12-15 Ben Britton , Tianbi Zhang

How can diffusion models process 3D geometries in a coarse-to-fine manner, akin to our multiscale view of the world? In this paper, we address the question by focusing on a fundamental biochemical problem of generating 3D molecular…

Machine Learning · Computer Science 2024-10-29 Jiwoong Park , Yang Shen

Measuring the three-dimensional (3D) distribution of chemistry in nanoscale matter is a longstanding challenge for metrological science. The inelastic scattering events required for 3D chemical imaging are too rare, requiring high beam…

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly…

Machine Learning · Computer Science 2022-06-17 Emiel Hoogeboom , Victor Garcia Satorras , Clément Vignac , Max Welling

Electron microscopy prevalently uses energy-dispersive x-ray spectroscopy (EDS) and electron energy loss spectroscopy (EELS) for elemental analysis. EDS and EELS energy resolutions are commonly between 30-100 eV or 0.01-1 eV, respectively.…

Crystals are the elementary constituents of Laue lenses, an emerging technology which could allow the realization of a space borne telescope 10 to 100 times more sensitive than existing ones in the 100 keV - 1.5 MeV energy range. This study…

Determining the 3D structures of biological molecules is a key problem for both biology and medicine. Electron Cryomicroscopy (Cryo-EM) is a promising technique for structure estimation which relies heavily on computational methods to…

Machine Learning · Statistics 2015-01-29 Ali Punjani , Marcus A. Brubaker

Scanning transmission electron microscopy (STEM) has become the technique of choice for quantitative characterization of atomic structure of materials, where the minute displacements of atomic columns from high-symmetry positions can be…

Materials Science · Physics 2021-10-05 Kevin M. Roccapriore , Nicole Creange , Maxim Ziatdinov , Sergei V. Kalinin

With the development of high-speed electron detectors, four-dimensional scanning transmission electron microscopy (4D-STEM) has emerged as a powerful tool for characterizing microstructures in material science and life science. However, the…

Instrumentation and Detectors · Physics 2023-06-16 Yiming Hu , Si Gao , Xiaopeng Wu , Xudong Pei , Futao Huang , Wei Mao , Weiyang Zhang , Aidan Horne , Zhengbin Gu , Peng Wang

We propose an efficient algorithm to analyze $3D$ atomic resolution crystal images based on a fast $3D$ synchrosqueezed wave packet transform. The proposed algorithm can automatically extract microscopic information from $3D$ atomic…

Numerical Analysis · Mathematics 2018-11-14 Tao Zhang , Ling Li , Haizhao Yang

Three-dimensional charge density maps computed by first-principles methods provide information about atom positions and the bonds between them, data which is particularly valuable when trying to understand the properties of point defects,…

Materials Science · Physics 2008-10-22 Christoph T. Koch

Scanning Transmission Electron Microscopy (STEM) has become the main stay for materials characterization on atomic level, with applications ranging from visualization of localized and extended defects to mapping order parameter fields. In…

Instrumentation and Detectors · Physics 2019-01-15 Xin Li , Ondrej Dyck , Sergei V. Kalinin , Stephen Jesse

Crystalline materials used in technological applications are often complex assemblies composed of multiple phases and differently oriented grains. Robust identification of the phases and orientation relationships from these samples is…

Three-dimensional X-ray diffraction (3DXRD) is shown to be feasible at the I12 Joint Engineering, Environmental and Processing (JEEP) beamline of Diamond Light Source. As a demonstration, a microstructually simple low-carbon ferritic steel…

The transmission electron microscope (TEM) has become an essential tool for innovation in nanoscience, material science, and biology. Despite these instruments being widely used across both industry and academia, academics may hesitate to…

Instrumentation and Detectors · Physics 2022-12-07 Patrick McBean , Zachary Milne , Arjun Kanthawar , Cameron O'Byrne , Khalid Hattar , Lewys Jones

The recent development of electron sensitive and pixelated detectors has attracted the use of four-dimensional scanning transmission electron microscopy (4D-STEM). Here, we present a precession electron diffraction assisted 4D-STEM…

Instrumentation and Detectors · Physics 2021-10-04 Jiwon Jeong , Niels Cautaerts , Gerhard Dehm , Christian H. Liebscher

Two dimensional (2D) transition-metal dichalcogenide (TMD) based semiconductors have generated intense recent interest due to their novel optical and electronic properties, and potential for applications. In this work, we characterize the…

To engineer the next generation of advanced materials we must understand their microstructure, and this requires microstructural characterization. This can be achieved through the collection of high contrast, data rich, and insightful…

Materials Science · Physics 2024-01-09 Tianbi Zhang , T. Ben Britton

Discovering the 3D atomic structure of molecules such as proteins and viruses is a fundamental research problem in biology and medicine. Electron Cryomicroscopy (Cryo-EM) is a promising vision-based technique for structure estimation which…

Computer Vision and Pattern Recognition · Computer Science 2016-11-18 Marcus A. Brubaker , Ali Punjani , David J. Fleet