Related papers: Experimental Powder X-ray Diffraction Crystal Stru…
Amorphous, glass, and glass-ceramic materials practically always include a significant number (more than eight) of crystalline phases, with the contents of the latter ranging from a few wt.% to several hundredths or tenths of wt.%. The…
The ability to synthesize and control two-dimensional (2D) crystals creates numerous opportunities for studying emergent states of matter and their novel functionalities. Freestanding films provide a particularly versatile platform for…
We have grown intermetallic ErPd$_2$Si$_2$ single crystals employing laser-diodes with the floating-zone method. The temperature-dependent crystallography was determined using synchrotron and in-house X-ray powder diffraction measurements…
High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described theoretically, real-world experimental effects are…
Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…
Diffusion-based models have shown great promise in real-world image super-resolution (Real-ISR), but often generate content with structural errors and spurious texture details due to the empirical priors and illusions of these models. To…
Structure determination is necessary to identify unknown organic molecules, such as those in natural products, forensic samples, the interstellar medium, and laboratory syntheses. Rotational spectroscopy enables structure determination by…
Crystal Structure Prediction (CSP) is crucial in various scientific disciplines. While CSP can be addressed by employing currently-prevailing generative models (e.g. diffusion models), this task encounters unique challenges owing to the…
Two-dimensional (2D) photonic crystals offer strong control over the propagation of light through their bands. Theoretical methods for computing the band structure in 2D are well-established and fast because 2D photonic crystals are…
Features of forward diffracted Parametric X-Radiation (PXR) were investigated at experiments with the 855 MeV electron beam of the Mainz Microtron MAMI employing a 410 micrometer thick tungsten single crystal. Virtual photons from the…
A flexible apparatus for calibration of the absolute flux at the focal plane of the X-ray Source of a Powder Diffractometer, based on a fast scintillator counter, is presented. The measured fluxes, depending on the high voltage on the X-ray…
The x-ray diffraction (XRD) patterns reported for starch in the literature describes it as a semicrystalline polymer that indicates that amorphous and crystalline regions form it, and this is commonly accepted. However, these patterns have…
Three-dimensional electron diffraction (3D ED) has emerged as a powerful method for solving the structures of sub-micron-sized particles down to nanoparticles. However, it faces technical challenges when applied to beam-sensitive samples or…
PCrystalX-Web is a web application developed to be easy and fast to use. The purpose of the software is that researchers from any area are able to use two methods to analyze an X-ray diffraction pattern more straightforwardly. With the full…
Generative diffusion models trained on large-scale datasets have achieved remarkable progress in image synthesis. In favor of their ability to supplement missing details and generate aesthetically pleasing contents, recent works have…
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…
Large volumes of data from material characterizations call for rapid and automatic data analysis to accelerate materials discovery. Herein, we report a convolutional neural network (CNN) that was trained based on theoretic data and very…
X-ray single particle imaging involves the measurement of a large number of noisy diffraction patterns of isolated objects in random orientations. The missing information about these patterns is then computationally recovered in order to…
In this paper, we extend a recently developed machine-learning (ML) based CREASE-2D method to analyze the entire two-dimensional (2D) scattering pattern obtained from small angle X-ray scattering measurements of supramolecular dipeptide…
Although the diffusion model has achieved remarkable performance in the field of image generation, its high inference delay hinders its wide application in edge devices with scarce computing resources. Therefore, many training-free sampling…