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Strain engineering enables the direct modification of the atomic bonding and is currently an active area of research aimed at improving the electrocatalytic activity. However, directly measuring the lattice strain of individual catalyst…
Despite recent advances in active metaoptics, wide dynamic range combined with high-speed reconfigurable solutions is still elusive. Phase-change materials (PCMs) offer a compelling platform for metasurface optical elements, owing to the…
In this work, we have investigated a number of unsupervised learning methods for material segmentation in projection x-ray imaging with a spectral detector. A phantom containing two hard materials (glass, steel) and three soft materials…
Multi-component chalcogenides, such as quasi-binary GeTe-Sb$_{2}$Te$_{3}$ alloys, are widely used in optical data storage media in the form of rewritable optical discs. Ge$_{2}$Sb$_{2}$Te$_{5}$ (GST) in particular has proven to be one of…
This paper presents a new clustering algorithm for symmetric positive semi-definite (SPSD) matrices, called K-Tensors. The method identifies structured subsets of the SPSD cone characterized by common principal component (CPC)…
Four-dimensional scanning transmission electron microscopy (4D-STEM) is one of the most rapidly growing modes of electron microscopy imaging. The advent of fast pixelated cameras and the associated data infrastructure have greatly…
Scanning transmission electron microscopy (STEM) allows for imaging, diffraction, and spectroscopy of materials on length scales ranging from microns to atoms. By using a high-speed, direct electron detector, it is now possible to record a…
We use computer simulations to study the microscopic dynamics of an athermal assembly of soft particles near the fluid-to-solid, jamming transition. Borrowing tools developed to study dynamic heterogeneity near glass transitions, we…
The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation. It is found that the initial thermal stability and earliest…
Minerals, metals, and plastics are indispensable for a functioning modern society. Yet, their supply is limited causing a need for optimizing ore extraction and recuperation from recyclable materials.Typically, those processes must be…
Spectral Clustering is a popular technique to split data points into groups, especially for complex datasets. The algorithms in the Spectral Clustering family typically consist of multiple separate stages (such as similarity matrix…
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…
Molecular electronics studies have advanced from early, simple single-molecule experiments at cryogenic temperatures to complex and multifunctional molecules under ambient conditions. However, room-temperature environments increase the risk…
Amorphous solids exhibit structural short-range order despite lacking long-range crystalline order, with this structural descriptor found to be important for determining mechanical properties. Nanobeam electron diffraction offers a…
The 4D scanning transmission electron microscopy (STEM) method has enabled mapping of the structure and functionality of solids on the atomic scale, yielding information-rich data sets containing information on the interatomic electric and…
The topotactic intercalation of transition-metal dichalcogenides with atomic or molecular ions acts as an efficient knob to tune the electronic ground state of the host compound. A representative material in this sense is 1$T$-TiSe$_{2}$,…
Atomic resolution imaging in transmission electron microscopy (TEM) and scanning TEM (STEM) of light elements in electron-transparent materials has long been a challenge. Biomolecular materials, for example, are rapidly altered when…
A quantitative first-principles description of complex substitutional materials like alloys is challenging due to the vast number of configurations and the high computational cost of solving the quantum-mechanical problem. Therefore,…
Cadmium selenide (CdSe) is an inorganic semiconductor with unique optical and electronic properties that made it useful in various applications, including solar cells, light-emitting diodes, and biofluorescent tagging. In order to…
The nature of the atomic defects on the hydrogen passivated Si (100) surface is analyzed using deep learning and scanning tunneling microscopy (STM). A robust deep learning framework capable of identifying atomic species, defects, in the…