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X-ray diffraction studies of nanoporous gold face the poorly understood diffraction scenario where large coherent crystals are riddled with nanoscale holes. Theoretical considerations derived in this study show that the ligament size of the…
In some super-resolution techniques, adjacent points are illuminated at different times. Thereby, their locations and light intensities can be detected even if the images are very blurred due to diffraction. According to conventional…
Images produced by diffusion models are increasingly popular in digital artwork and visual marketing. However, such generated images might replicate content from existing ones and pose the challenge of content originality. Existing Image…
Generative AI models, such as score-based diffusion models, have recently advanced the field of computational materials science by enabling the generation of new materials with desired properties. In addition, these models could also be…
Ultrafast scattering using X-rays or electrons is an emerging method to obtain structure dynamics at the atomic length and time scales. However, directly resolving in real-space atomic motions is inherently limited by the finite detector…
The spectral region around 10 micrometer, showing prominent dust emission bands, is commonly used to derive the chemical composition of protoplanetary dust. Different analysis methods have been proposed for this purpose, but so far, no…
Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…
The discovery of new structural and functional materials is driven by phase identification, often using X-ray diffraction (XRD). Automation has accelerated the rate of XRD measurements, greatly outpacing XRD analysis techniques that remain…
We propose an application of the Angular X-ray Cross-Correlation Analysis (AXCCA) to the scattered intensity distribution measured in three-dimensional (3D) reciprocal space from a single crystalline sample. Contrary to the conventional…
Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most existing diffusion-based generative models for crystals rely…
Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a…
Three-dimensional electron diffraction (3DED) is a powerful technique providing for crystal structure solutions of sub-micron sized crystals too small for structure determination via X-ray techniques. The entry requirement, however, of a…
Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and…
The technique known as 4D-STEM has recently emerged as a powerful tool for the local characterization of crystalline structures in materials, such as cathode materials for Li-ion batteries or perovskite materials for photovoltaics. However,…
Owing to their tunability and versatility, the two-dimensional materials are an excellent platform to conduct a variety of experiments. However, laborious device fabrication procedures remain as a major experimental challenge. One…
This article presents a high-throughput computer program, called EasyDD, for batch processing, analyzing and visualizing of spectral data; particularly those related to the new generation of synchrotron detectors and X-ray powder…
Crystal truncation rods calculated in the kinematical approximation are shown to quantitatively agree with the sum of the diffracted waves obtained in the two-beam dynamical calculations for different reflections along the rod. The choice…
Resolution studies of test problems set baselines and help define minimum resolution requirements, however, resolution studies must also be performed on scientific simulations to determine the effect of resolution on the specific scientific…
Constructing a quantum description of crystals from scattering experiments is of paramount importance to explain their macroscopic properties and to evaluate the pertinence of theoretical ab-initio models. While reconstruction methods of…
Efficiently generating energetically stable crystal structures has long been a challenge in material design, primarily due to the immense arrangement of atoms in a crystal lattice. To facilitate the discovery of stable material, we present…