Related papers: PCrystalX -- Web Application
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…
We introduce SurfFlow, an open-source high-throughput workflow package designed for automated first-principles calculations of surface energies in arbitrary crystals. Our package offers a comprehensive solution capable of handling…
The X-ray microscopy technique at the European X-ray free-electron laser (EuXFEL), operating at a MHz repetition rate, provides superior contrast and spatial-temporal resolution compared to typical microscopy techniques at other X-ray…
X-ray reflectivity (XRR) is a powerful and popular scattering technique that can give valuable insight into the growth behavior of thin films. In this study, we show how a simple artificial neural network model can be used to predict the…
Identifying the three-dimensional (3D) crystal-plane and strain-field distributions of nanocrystals is essential for optical, catalytic, and electronic applications. Here, we developed a methodology for visualizing the 3D information of…
A spectrograph is an optical instrument that disperses photons of different energies into distinct directions and space locations, and images photon spectra on a position-sensitive detector. Spectrographs consist of collimating, angular…
The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…
The implementation of fractional differential calculations can give new possibilities for image processing tools, in particular for those that are devoted to astronomical images analysis. As discussed in arxiv:0910.2381, the fractional…
A simple scaling theory for the sintering of fractal aerogels is presented. The densification at small scales is described by an increase of the lower cut-off length $a$ accompanied by a decrease of the upper cut-off length $\xi$, in order…
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…
Molecular and polymeric crystals show a wide range of functional properties that arise from the interplay between the atomic-scale structure of their constituent molecules and the organization of these molecules within the crystal lattice…
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…
We introduce a Python framework designed to automate the most common tasks associated with the extraction and upscaling of the statistics of single-impact crater functions to inform coefficients of continuum equations describing surface…
We report the initial demonstrations of the use of single crystals in indirect x-ray imaging for x-ray phase contrast imaging at the Washington University in St. Louis Computational Bioimaging Laboratory (CBL). Based on single Gaussian peak…
The in situ synchrotron high-energy X-ray powder diffraction (XRD) technique is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices (e.g., battery materials) or in complex sample…
We report on a new x-ray imaging method, which combines the high spatial resolution of coherent diffraction imaging with the ability of dark field microscopy to map grains within thick polycrystalline specimens. An x-ray objective serves to…
A growing number of shock compression experiments, especially those involving laser compression, are taking advantage of in situ x-ray diffraction as a tool to interrogate structure and microstructure evolution. Although these experiments…
A freely available educational application (a mobile website) is presented. This provides access to educational material and drilling on selected topics within mathematics and statistics with an emphasis on tablets and mobile phones. The…
We demonstrate that a common-line method can assemble a 3D oversampled diffracted intensity distribution suitable for high-resolution structure solution from a set of measured 2D diffraction patterns, as proposed in experiments with an…
MPC (Magneto-Photonic Crystal) Optimisation is a feature-rich Windows software application designed to enable researchers to analyze the optical and magneto-optical spectral properties of multilayers containing gyrotropic constituents. A…