Related papers: PCrystalX -- Web Application
Spectropolarimetry, the observation of polarization and intensity as a function of wavelength, is a powerful tool in stellar astrophysics. It is particularly useful for characterizing stars and circumstellar material, and for tracing the…
We present PyWolf, an open-source software capable of performing numerical simulations of partially coherent light propagation from two-dimensional light sources. PyWolf computes the evolution of a user-defined cross-spectral density…
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…
Having a need to perform differential photometry for tens of thousands stars in a several square degrees field, we developed Astrokit program. The software corrects the star brightness variations caused by variations of atmospheric…
X-ray crystallography is the predominant method for obtaining atomic-scale information about biological macromolecules. Despite the success of the technique, obtaining well diffracting crystals still critically limits going from protein to…
Visualizing and navigating through large astronomy images from a remote location with current astronomy display tools can be a frustrating experience in terms of speed and ergonomics, especially on mobile devices. In this paper, we present…
X-ray fluorescence holography (XFH) is a method for obtaining diffraction-limited images of the local atomic structure around a given type of emitter. The reconstructed wave-field represents a distorted image of the scatterer electron…
The spectrum of laser-plasma-generated X-rays is very important as it can characterize electron dynamics and also be useful for applications, and nowadays with the forthcoming high-repetition-rate laser-plasma experiments, there is a…
The fractal dimension of a surface allows its degree of roughness to be characterized quantitatively. However, limited effort is attempted to calculate the fractal dimension of surfaces computed from precisely known atomic coordinates from…
The depth dependence of crystalline structure within thin films is critical for many technological applications, but has been impossible to measure directly using common techniques. In this work, by monitoring diffraction peak intensity and…
Detection of crystal structures from particle positions of crystalline assemblies formed in computer simulations is an unsolved problem. The standard protocol, formulated in the reciprocal space, for structure determination from…
X-ray diffraction (XRD) peak broadening analysis remains a cornerstone for quantifying crystallite size and lattice microstrain in materials. Among various approaches, the Size Strain Plot (SSP) method is widely employed for its conceptual…
Version 14 of XtalOpt, an evolutionary multi-objective global optimization algorithm for crystal structure prediction, is now available for download from its official website https://xtalopt.github.io, and the Computer Physics…
This paper explores optimal methods for obtaining one-dimensional (1D) powder pattern intensities from two-dimensional (2D) planar detectors with good estimates of their standard deviations. We describe methods to estimate uncertainties…
PDFgetX3 is a new software application for converting X-ray powder diffraction data to atomic pair distribution function (PDF). PDFgetX3 has been designed for ease of use, speed and automated operation. The software can readily process…
Solving crystal structures from kinematical X-ray or electron diffraction patterns of single crystals requires many more diffracted beams to be recorded than there are atoms in the structure, since the phases of the structure factors can…
Web mining is the nontrivial process to discover valid, novel, potentially useful knowledge from web data using the data mining techniques or methods. It may give information that is useful for improving the services offered by web portals…
The pair-angle distribution function (PADF) is a three- and four-atom correlation function that can characterise the local angular structure of disordered materials, particles or nanocrystalline materials. The PADF can be measured by x-ray…
We introduce HexaLab: a WebGL application for real time visualization, exploration and assessment of hexahedral meshes. HexaLab can be used by simply opening www.hexalab.net. Our visualization tool targets both users and scholars.…
Novel materials drive advancements in fields ranging from energy storage to electronics, with crystal structure characterization forming a crucial yet challenging step in materials discovery. In this work, we introduce \emph{deCIFer}, an…