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The association of scanning transmission electron microscopy (STEM) and the detection of a diffraction pattern at each probe position (so-called 4D-STEM) represents one of the most promising approaches to analyze structural properties of…
Neutron scattering techniques offer a unique combination of structural and the dynamic information of atomic and molecular systems over a wide range of distances and times. The increasing complexity in science investigations driven by…
A major challenge in materials science is the determination of the structure of nanometer sized objects. Here we present a novel approach that uses a generative machine learning model based on diffusion processes that is trained on 45,229…
Precession Electron Diffraction (PED) offers a number of advantages for crystal structure analysis and solving unknown structures using electron diffraction. The current article uses many-beam simulations of PED intensities, in combination…
Transmission electron diffraction is a powerful and versatile structural probe for the characterization of a broad range of materials, from nanocrystalline thin films to single crystals. With recent developments in fast electron detectors…
Deep generative models have emerged as state-of-the-art for solving inverse problems, but applying them to inverse problems for PDEs, like electrical impedance tomography (EIT) remains challenging. Because physical domains are naturally…
Neutron reflectometry (NR) is a powerful technique to probe surfaces and interfaces. NR is inherently an indirect measurement technique, access to the physical quantities of interest (layer thickness, scattering length density, roughness),…
Computational acceleration of performance-metric-based materials discovery via high-throughput screening and machine learning methods is becoming widespread. Nevertheless, development and optimization of the opto-electronic properties that…
Synchrotron X-ray diffraction experiments and molecular dynamics simulations have been performed on simple aliphatic aldehydes, from propanal to nonanal. The performance of the OPLS all-atom interaction potential model for aldehydes has…
Analysis of distortions of the crystal lattice within individual mineral grains is central to the investigation of microscale processes that control and record tectonic events. These distortions are generally combinations of lattice…
Ultrafast measurement technology provides essential contributions to our microscopic understanding of the properties and functions of solids and nanostructures. Atomic-scale vistas with ever-growing spatial and temporal resolution are…
Representation learning often plays a critical role in reinforcement learning by managing the curse of dimensionality. A representative class of algorithms exploits a spectral decomposition of the stochastic transition dynamics to construct…
Scattering of refracting Huygens' metasurfaces is revisited. A new analytical closed-form solution is obtained for the two-dimensional problem under transverse electric (TE) plane-wave incidence -- a solution which gives the scattering for…
Development in lattice strain mapping using four-dimensional scanning transmission electron microscopy (4D-STEM) method now offers improved precision and feasibility. However, automatic and accurate diffraction analysis is still challenging…
Reconstructing the structure of thin films and multilayers from measurements of scattered X-rays or neutrons is key to progress in physics, chemistry, and biology. However, finding all structures compatible with reflectometry data is…
We introduce bidirectional edge diffraction response function (BEDRF), a new approach to model wave diffraction around edges with path tracing. The diffraction part of the wave is expressed as an integration on path space, and the wave-edge…
Understanding the local fracture resistance of microstructural features. such as brittle inclusions, coatings, and interfaces at the microscale under complex loading conditions is critical for microstructure-informed design of materials. In…
Powder X-ray diffraction (pXRD) experiments are a cornerstone for materials structure characterization. Despite their widespread application, analyzing pXRD diffractograms still presents a significant challenge to automation and a…
To investigate inelastic electron scattering, which is ubiquitous in various fields of study, we carry out ab initio study of the real-time dynamics of a one-dimensional electron wave packet scattered by a hydrogen atom using different…
Scattering by an isolated defect embedded in a dielectric medium of two dimensional periodicity is of interest in many sub-fields of electrodynamics. Present approaches to compute this scattering rely either on the Born approximation and…