相关论文: On the diffraction pattern of C60 peapods
We extend a modal theory of diffraction by a set of parallel fibers to deal with the case of a hard boundary: that is a structure made for instance of air-holes inside a dielectric matrix. Numerical examples are given concerning some…
Precise knowledge of X-ray diffraction profile shape is crucial in the investigation of the properties of matter in crystals powder. Line-broadening analysis is a pre-processing step in most of the full powder pattern fitting softwares.…
Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…
This paper concerns diffraction-tomographic reconstruction of an object characterized by its scattering potential. We establish a rigorous generalization of the Fourier diffraction theorem in arbitrary dimension, giving a precise relation…
The formalism of the scattering matrix is applied to describe the transmission properties of multilayered structures with deep variations of the refractive index and arbitrary arrangements of the layers. We show that there is an exact…
We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units.…
Powder X-ray Diffraction (PXRD) and Pair Distribution Function (PDF) analysis are well-established techniques for investigation of atomic configurations in crystalline materials, and the two are related by a Fourier transformation. In PXRD…
The availability of neutron spallation-source instruments that provide total scattering powder diffraction has led to an increased application of real-space structure analysis using the pair distribution function. Currently, the analytical…
We investigate numerically the scattering of waves on discrete graphs. An efficient algorithm is developed to compute the reflection and transmission (spectral) coefficients. We then explore various configurations of input and output leads,…
The current paper presents the second part of the study devoted to composites formed by fullerene C60 and single-walled carbon nanotube ([C60-(4,4)] carbon nanobud). The formation of composites is considered from the basic points related to…
Scattering methods are widely used in many research areas to analyze and resolve material structures. Given the importance, a large number of full textbooks are devoted to this topic. However, technical details in experiments and…
The structural investigations of nanomaterials motivated by their large variety and diverse set of applications have attracted considerable attention. In particular, the ever-improving machinery, both in laboratory and at large scale…
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…
Determination of lattice misfit and microstructural parameters of the coherent precipitates in Ni based alloy Inconel-625 is a challenging problem as their peaks are completely overlapping among themselves and also with the matrix. We have…
Accurate crystal structure determination is critical across all scientific disciplines involving crystalline materials. However, solving and refining inorganic crystal structures from powder X-ray diffraction (PXRD) data is traditionally a…
Diffraction images with continuous rotation symmetry arise from amorphous systems, but also from regular crystals when investigated by powder diffraction. On the theoretical side, pinwheel patterns and their higher dimensional…
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…
Determining crystal structures from experimental powder X-ray diffraction data remains challenging because peak overlap, preferred orientation, and impurity phases obscure atomic arrangements. We present RealPXRD-Solver, a generative model…
Emerging coherent X-ray scattering patterns of single-particles have shown dominant morphological signatures in agreement with predictions of the scattering model used for conventional protein crystallography. The key question is if and to…
As in the available literature there are still misconceptions about powder diffraction phenomena observed for small nanocrystals ($D<10$ nm), we propose here a systematic and concise review of the involved issues that can be approached by…