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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…

We extend our previously proposed image reconstruction method, which allows confocal microscopes to capture periodically moving objects at frequencies beyond their frame rates, to three-dimensional and two-dimensional wide-field imaging.…

Optics · Physics 2026-03-03 Kanta Adachi , Soyoka Hemmi , Nobutomo Nakamura

Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…

Computational Physics · Physics 2020-09-03 Markus Kühbach , Matthew Kasemer , Baptiste Gault , Andrew Breen

A unified method for three-dimensional reconstruction of objects from transmission images collected at multiple illumination directions is described. The method may be applicable to experimental conditions relevant to absorption-based,…

Medical Physics · Physics 2022-12-07 Timur E. Gureyev , Hamish G. Brown , Harry M. Quiney , Leslie J. Allen

A routine crystallography technique, crystal structure analysis, is rarely performed in computational condensed matter research. The lack of methods to identify and characterize crystal structures reliably in particle simulation data…

Materials Science · Physics 2021-06-29 Michael Engel

We report the efficient and fast ($\sim 2\mathrm{Hz}$) preparation of randomly loaded 1D chains of individual $^{87}$Rb atoms and of dense atomic clouds trapped in optical tweezers using a new experimental platform. This platform is…

Three-dimensional particle tracking is an essential tool in studying dynamics under the microscope, namely, fluid dynamics in microfluidic devices, bacteria taxis, cellular trafficking. The 3d position can be determined using 2d imaging…

Computer Vision and Pattern Recognition · Computer Science 2015-09-08 Eldad Afik

Amorphous solids such as glass are ubiquitous in our daily life and have found broad applications ranging from window glass and solar cells to telecommunications and transformer cores. However, due to the lack of long-range order, the…

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

Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…

Computational Engineering, Finance, and Science · Computer Science 2026-02-11 Zhenzhong Wang , Haowei Hua , Wanyu Lin , Ming Yang , Kay Chen Tan

Imaging techniques are essential tools for inquiring a number of properties from different materials. Liquid crystals are often investigated via optical and image processing methods. In spite of that, considerably less attention has been…

Data Analysis, Statistics and Probability · Physics 2019-01-30 H. Y. D. Sigaki , R. F. de Souza , R. T. de Souza , R. S. Zola , H. V. Ribeiro

Suspended specimens of 2D crystals and their heterostructures are required for a range of studies including transmission electron microscopy (TEM), optical transmission experiments and nanomechanical testing. However, investigating the…

Efficient, reliable and easy-to-use structure recognition of atomic environments is essential for the analysis of atomic scale computer simulations. In this work, we train two neuronal network (NN) architectures, namely PointNet and dynamic…

Materials Science · Physics 2025-04-16 Linus C. Erhard , Daniel Utt , Arne J. Klomp , Karsten Albe

The core theme of X-ray crystallography is reconstructing the electron density distribution of crystals under the constraints of observed diffraction data. Nevertheless, the reconstruction of electron density distribution by straightforward…

Materials Science · Physics 2015-07-14 Hui Li , Meng He , Ze Zhang

Atomic resolution imaging is key to understanding thin film growth and how a particular set of conditions influences properties. Whilst such imaging in the scanning transmission electron microscope (STEM) has had transformative impact in…

Materials property predictions have improved from advances in machine learning algorithms, delivering materials discoveries and novel insights through data-driven models of structure-property relationships. Nearly all available models rely…

Materials Science · Physics 2022-04-13 Yiqun Wang , Xiao-Jie Zhang , Fei Xia , Elsa A. Olivetti , Ram Seshadri , James M. Rondinelli

Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph…

Machine Learning · Computer Science 2024-03-19 Keqiang Yan , Cong Fu , Xiaofeng Qian , Xiaoning Qian , Shuiwang Ji

Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…

Materials Science · Physics 2022-04-05 Heejung Chung , Rodrigo Freitas , Gowoon Cheon , Evan J. Reed

Two new algorithms are described for matching two dimensional coordinate lists of point sources that are signifcantly faster than previous methods. By matching rarely occurring triangles (or more complex shapes) in the two lists, and by…

Astrophysics · Physics 2009-11-13 V. Tabur

Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…

Machine Learning · Computer Science 2019-09-04 Jordan Hoffmann , Louis Maestrati , Yoshihide Sawada , Jian Tang , Jean Michel Sellier , Yoshua Bengio