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(Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of devices due to its time-intensive…

The MechElastic Python package evaluates the mechanical and elastic properties of bulk and 2D materials using the elastic coefficient matrix ($C_{ij}$) obtained from any ab-initio density-functional theory (DFT) code. The current version of…

The reduced dimensionality in two-dimensional materials leads a wealth of unusual properties, which are currently explored for both fundamental and applied sciences. In order to study the crystal structure, edge states, the formation of…

Mesoscale and Nanoscale Physics · Physics 2021-01-04 Felix Kern , Martin Linck , Daniel Wolf , Nasim Alem , Himani Arora , Sibylle Gemming , Artur Erbe , Alex Zettl , Bernd Büchner , Axel Lubk

Microstructure characterisation has been greatly enhanced through the use of electron backscatter diffraction (EBSD), where rich maps are generated through analysis of the crystal phase and orientation in the scanning electron microscope…

Materials Science · Physics 2018-11-15 Vivian S Tong , Alexander J Knowles , David Dye , T Ben Britton

We introduce PyChEst, a Python package which provides tools for the simultaneous estimation of multiple changepoints in the distribution of piece-wise stationary time series. The nonparametric algorithms implemented are provably consistent…

Computation · Statistics 2021-12-21 Azadeh Khaleghi , Lukas Zierahn

Single molecule F\"orster resonance energy transfer (smFRET) is a powerful experimental technique for studying the properties of individual biological molecules in solution. However, as adoption of smFRET techniques becomes more widespread,…

Computational Engineering, Finance, and Science · Computer Science 2014-12-22 Rebecca R. Murphy , Sophie E. Jackson , David Klenerman

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…

Optoelectronic devices based on graphene and other two-dimensional (2D) materials, such as transition metal dichalcogenides (TMDs) are the focus of wide research interest. The characterization these emerging atomically thin materials and…

Instrumentation and Detectors · Physics 2017-05-09 Adolfo De Sanctis , Gareth F. Jones , Nicola J. Townsend , Monica F. Craciun , Saverio Russo

Scanning Electron Microscopy (SEM) is indispensable in modern materials science, enabling high-resolution imaging across a wide range of structural, chemical, and functional investigations. However, SEM imaging remains constrained by…

We propose a new scanning transmission electron microscopy (STEM) technique that can realize the three-dimensional (3D) characterization of vacancies, lighter and heavier dopants with high precision. Using multislice STEM imaging and…

Materials Science · Physics 2016-07-12 Jared M. Johnson , Soohyun Im , Jinwoo Hwang

Atomic-resolution scanning transmission electron microscopy (STEM) characterization requires precise tilting of the specimen to high symmetric zone axis, which is usually processed in reciprocal space by following the diffraction patterns.…

Materials Science · Physics 2024-06-04 Jiake Wei , Zhangze Xu , Wenjie Shen , Bin Feng , Ryo Ishikawa , Naoya Shibata , Yuichi Ikuhara , Xuedong Bai

Automated analysis of high-resolution transmission electron microscopy (HRTEM) images is increasingly essential for advancing research in organic electronics, where precise characterization of nanoscale crystal structures is crucial for…

Computational Engineering, Finance, and Science · Computer Science 2024-12-25 Dhruv Gamdha , Ryan Fair , Adarsh Krishnamurthy , Enrique Gomez , Baskar Ganapathysubramanian

Cryogenic electron microscopy (cryo-EM) is an invaluable technique for determining high-resolution three-dimensional structures of biological macromolecules using transmission particle images. The inherent symmetry in these macromolecules…

Optimization and Control · Mathematics 2024-11-06 Qi Zhang , Chenglong Bao , Hai Lin , Mingxu Hu

Physical vapor deposition can be used to prepare highly stable organic glass systems where the molecules show orientational and translational ordering at the nanoscale. We have used low-dose four-dimensional scanning transmission electron…

4D-STEM-based orientation and phase mapping has enabled rapid microstructure quantification that can be directly combined with standard TEM- and STEM-based imaging modes. Typically, orientation mapping is coupled with beam precession (i.e.…

Materials Science · Physics 2026-04-01 Yichen Yang , Olivier Pierron , Josh Kacher , David Rowenhorst

A recently developed Projection-based Digital Image Correlation (P-DVC) method is here extended to 4D (space and time) displacement field measurement and mechanical identification based on a single radiograph per loading step instead of…

Computational Physics · Physics 2019-05-23 Clément Jailin , Ante Buljac , Amine Bouterf , François Hild , Stéphane Roux

We present spd-metrics-id, a Python package for computing distances and divergences between symmetric positive-definite (SPD) matrices. Unlike traditional toolkits that focus on specific applications, spd-metrics-id provides a unified,…

Computation · Statistics 2025-10-07 Kaosar Uddin

Electron ptychography has recently achieved unprecedented resolution, offering valuable insights across diverse material systems, including in three dimensions. However, high-quality ptychographic reconstruction is computationally expensive…

Materials Science · Physics 2025-08-07 Chia-Hao Lee , Steven E. Zeltmann , Dasol Yoon , Desheng Ma , David A. Muller

We demonstrate a combination of computational tools and experimental 4D-STEM methods to image the local magnetic moment in antiferromagnetic Fe$_2$As with 6 angstrom spatial resolution. Our techniques utilize magnetic diffraction peaks,…

Nanotechnology research requires the routine use of characterization methods with high spatial resolution. These experiments are rather costly, not only from the point of view of the expensive microscopes, but also considering the need of a…

Materials Science · Physics 2015-10-12 M. J. Lagos , P. C. da Silva , D. Ugarte