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Characterisation of rare microstructural features in scanning electron microscopy (SEM) requires imaging large areas at high resolution. This leads to prohibitively long acquisition times. We present an open-source Python framework that…

Ptychography provides highly efficient imaging in scanning transmission electron microscopy (STEM), but questions have remained over its applicability to strongly scattering samples such as those most commonly seen in materialsscience.…

Applied Physics · Physics 2022-09-07 C. Gao , C. Hofer , D. Jannis , A. Béché , J. Verbeeck , T. J. Pennycook

We demonstrate spatial mapping of the local and nano-scale structure of thin film objects using spatially resolved PDF analysis of synchrotron x-ray diffraction data. This is demonstrated in a lab-on-chip combinatorial array of sample spots…

We present a novel Python tool for the analysis of Geant4 simulations that enhances our understanding of coherent phenomena occurring during the interaction of charged particles with crystal planes. This tool compares the total energy of…

With the development of affordable aberration-correctors, analytical scanning transmission electron microscopy (STEM) studies of complex interfaces can now be conducted at high spatial resolution at laboratories worldwide. Energy-dispersive…

Materials Science · Physics 2017-04-10 Steven R. Spurgeon , Yingge Du , Scott A. Chambers

Epitaxial growth has become a promising route to achieve highly crystalline continuous two-dimensional layers. However, high-quality layer production with expected electrical properties is still challenging due to the defects induced by the…

Determining the local symmetry of luminescent centers in crystals is critical for understanding and controlling their optical transitions, yet current methods are limited by stringent experimental requirements and ambiguous symmetry…

Modeling should play a central role in K-12 STEM education, where it could make classes much more engaging. A model underlies every scientific theory, and models are central to all the STEM disciplines (Science, Technology, Engineering,…

Computers and Society · Computer Science 2014-04-28 Kelsey D'Souza

We demonstrate a novel approach to the reconstruction of scanning probe x-ray diffraction tomography data with anisotropic poly crystalline samples. The method involves reconstructing a voxel map containing an orientation distribution…

Understanding the architecture of the human heart requires analysis of its microstructural organization across scales. With the advent of high-resolution imaging techniques such as synchrotron-based tomography, it has become possible to…

Computational Engineering, Finance, and Science · Computer Science 2025-08-12 Joseph Brunet , Lisa Chestnutt , Matthieu Chourrout , Hector Dejea , Vaishnavi Sabarigirivasan , Peter D. Lee , Andrew C. Cook

The real-space imaging of small molecules is always challenging under the electron microscopes, but highly demanded for investigating various nanoscale interactions, such as hydrogen bond and van der Waals (vdW) force. Especially,…

Materials Science · Physics 2020-01-28 Boyuan Shen , Xiao Chen , Dali Cai , Hao Xiong , Shifeng Jin , Xin Liu , Yu Han , Fei Wei

In four-dimensional scanning transmission electron microscopy (4D STEM) a focused beam is scanned over a specimen and a diffraction pattern is recorded at each position using a pixelated detector. During the experiment, it must be ensured…

Automatic crystal orientation determination and orientation mapping are important tools for research on polycrystalline materials. The most common methods of automatic orientation determination rely on detecting and indexing individual…

Materials Science · Physics 2023-05-15 Adam Morawiec

Analysis of XRD diffraction patterns is one of the keystones of materials science and materials research. With the advancement of data-driven methods for materials design, candidate materials can be quickly screened for the study of a…

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…

Background: We describe an informatics framework for researchers and clinical investigators to efficiently perform parameter sensitivity analysis and auto-tuning for algorithms that segment and classify image features in a large dataset of…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-12-13 George Teodoro , Tahsin Kurc , Luis F. R. Taveira , Alba C. M. A. Melo , Jun Kong , Joel Saltz

The local arrangement of atoms is one of the most important predictors of mechanical and functional properties of materials. However, algorithms for identifying the geometrical arrangements of atoms in complex materials systems are lacking.…

Materials Science · Physics 2019-04-15 Arash Dehghan Banadaki , Jason J. Maldonis , Paul M. Voyles , Srikanth Patala

Understanding lattice deformations is crucial in determining the properties of nanomaterials, which can become more prominent in future applications ranging from energy harvesting to electronic devices. However, it remains challenging to…

Resolving how defects emerge and interact within the hierarchical structure of polycrystalline materials remains a core challenge in materials science. Grain-mapping methods such as three-dimensional X-ray diffraction (3DXRD) and…

Three-dimensional topology optimization (TO) is a powerful technique in engineering design, but readily usable, open-source implementations remain limited within the popular Python scientific environment. This paper introduces PyTopo3D, a…

Graphics · Computer Science 2025-04-09 Jihoon Kim , Namwoo Kang