Related papers: Simulation of X-ray diffraction profiles for bent …
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…
X-ray diffraction was demonstrated from shock-compressed polycrystalline metal on nanosecond time scales. Laser ablation was used to induce shock waves in polycrystalline foils of Be, 25 to 125 microns thick. A second laser pulse was used…
The diffraction peaks of Zircaloy-2 and Zr-2.5%Nb alloys at various deformations are found to be asymmetric in nature. In order to characterize the microstructure from these asymmetric peaks of these deformed alloys, X-Ray Diffraction Line…
Recent interest in structure solution and refinement using electron diffraction (ED) has been fuelled by its inherent advantages when applied to crystals of sub-micron size, as well as a better sensitivity to light elements. Currently, data…
One highly desirable function of a diffraction grating is its ability to deflect incident light into a specific diffraction order with near-perfect efficiency. While such asymmetry can be achieved in a variety of ways, e.g., by using a…
The paper shows that silicon-based 2D photonic crystal can be a promising material for acoustooptical devices. Isotropic and anisotropic Bragg diffraction of light in photonic crystal is considered. The computational method for calculation…
Determination of orientation in the imaged sample/scene has a large application potential when the anisotropy of properties is analysed, usually, under a linearly polarised illumination. This study combined several improvements of…
We propose the use of two-dimensional photonic crystals with engineered defects for the generation of an arbitrary-profile beam from a focused input beam. The cylindrical harmonics expansion of complex-source beams is derived and used to…
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…
Determining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure has a high complexity. While recent AI…
We present an ab-initio numerical investigation of the internal conical refraction of structured light beams in a biaxial crystal. Starting from the solutions of the Fresnel equation, a theoretical analysis is developed without assuming any…
A new procedure aiming at disentangling the instrumental profile broadening and the relevant X-ray powder diffraction (XRPD) profile shape is presented. The technique consists of three steps: denoising by means of wavelet transforms,…
We present a phase-field model for simulating the solid-state dewetting of anisotropic crystalline films on non-planar substrates. This model exploits two order parameters to trace implicitly the crystal free surface and the substrate…
Sub-angstrom spatial resolution of electron density coupled with sub-femtosecond temporal resolution is required to directly observe the dynamics of the electronic structure of a molecule after photoinitiation or some other ultrafast…
The application of powder diffraction methods in two-dimensional crystallography is regarded as intractable because of the uncertainties associated with overlapping reflections. Here, we report an approach that resolves these ambiguities…
Accurate determination of crystal structures is central to materials science, underpinning the understanding of composition-structure-property relationships and the discovery of new materials. Powder X-ray diffraction is a key technique in…
An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…
We demonstrate a strategy for simulating wide-range X-ray scattering patterns, which spans the small- and wide scattering angles as well as the scattering angles typically used for Pair Distribution Function (PDF) analysis. Such simulated…
Orientation mapping is a widely used technique for revealing the microstructure of a polycrystalline sample. The crystalline orientation at each point in the sample is determined by analysis of the diffraction pattern, a process known as…
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…