Chirality and accurate structure models by exploiting dynamical effects in continuous-rotation 3D ED data

Dynamical diffraction effects are usually considered a nuisance for structure analysis from continuous-rotation 3D electron diffraction (3D ED) data like cRED and MicroED. Here we demonstrate that by accounting for these effects during the structure refinement, significantly improved models can be obtained in terms of accuracy and reliability with up to four-fold reduction of the noise level in difference Fourier maps in comparison to the standard structure determination routines that ignore dynamical diffraction. As dynamical diffraction effects break the inversion symmetry of the diffraction, they allow a quick, easy, and reliable determination of the absolute structure of chiral crystals.

EXPRESS: Determination and Monitoring of Quality Parameters: A Detailed Study of Optical Elements of a Lens-Based Raman Spectrometer

A lens-based Raman spectrometer is characterized by studying the optical elements in the optical path and we study the measure of aberration/diffraction effects. This is achieved by measuring the spectral resolution (SR) thus encompassing almost all optical elements of a spectrometer that are mostly responsible for such effects. An equation for SR is used to determine the quality factor Q which measures aberration/diffraction effects occurring in a spectrometer. We show how the quality factor changes with different spectrometer parameters such as grating groove density, the wavelength of excitation, pinhole width, CCD pixel density, etc. This work provides an insight into the quality of a spectrometer and helps to monitor the performance of the spectrometer over a certain period. Commercially available spectrometers or home-built spectrometers are prone to misalignment in optical elements and can benefit from this work that allows maintaining the overall quality of the setup. Performing such experiments over a period helps to minimize the aberration/diffraction effects occurring as a result of time and maintaining the quality of measurements.

Caustics of Non-Paraxial Perfect Optical Vortices Generated by Toroidal Vortex Lenses

In this paper, we consider the comparative formation of perfect optical vortices in the non-paraxial mode using various optical elements: non-paraxial and parabolic toroidal vortex lenses, as well as a vortex axicon in combination with a parabolic lens. The theoretical analysis of the action of these optical elements, as well as the calculation of caustic surfaces, is carried out using a hybrid geometrical-optical and wave approach. Numerical analysis performed on the basis of the expansion in conical waves qualitatively confirms the results obtained and makes it possible to reveal more details associated with diffraction effects. Equations of 3D-caustic surfaces are obtained and the conditions of the ring radius dependence on the order of the vortex phase singularity are analyzed. In the non-paraxial mode, when small light rings (several tens of wavelengths) are formed, a linear dependence of the ring radius on the vortex order is shown. The revealed features should be taken into account when using the considered optical elements forming the POV in various applications.

Symmetry Reduction in FEM Optics Modeling of Single and Periodic Nanostructures

Numerical optics modeling is an invaluable tool in the design of nanostructures for nanophotonics applications where diffraction effects often lead to complex dependency between the nanostructure geometry and its optical properties and response. In order to analyze, design, and optimize such nanostructures, computationally efficient numerical optics modeling methods are required. One way to improve the numerical performance is to exploit symmetries found in many optics problems. By identifying equivalencies and restrictions arising from symmetry, it can be possible to simplify the problem at hand, which is the essence of symmetry reduction. However, applying symmetry reduction in optics modeling problems is not trivial. To the best of our knowledge, symmetry reduction has so-far been applied in finite element method (FEM) optics models only in those specific cases where an incident plane wave shares symmetries with the nanostructure geometry. In this work, we show how to extend the symmetry reduction of FEM optics models to the case of nonsymmetric plane-wave incidence, demonstrate such reduction with numerical examples of incident plane wave absorption in a single nanowire and a periodic nanowire array, and discuss the achieved gains in computational efficiency.

Researching on the Deterministic Channel Models for Urban Microcells Considering Diffraction Effects

Deterministic channel models, such as the three-dimensional (3D) ray launching method, can yield wireless channel parameters. In the non-line-of-sight (NLOS) propagation, the outdoor 3D ray launching method that considers diffraction effects is more accurate than the one that does not. While considering the diffraction effect, obtaining the diffraction point is challenging. This paper proposed a method for determining diffracted rays using the receiving sphere method in 3D ray launching. The diffraction point is determined using the shortest distance method between two straight lines, and the signal loss from the transmitting to receiving antennas is obtained. Furthermore, experiments on a millimeter wave in a microcell scenario were performed. The test results of the wireless channel parameters were compared with theoretical calculations. The results obtained via the 3D ray launching method that only considers the specular reflection and direct rays agree with the experimental results in the line-of-sight (LOS); furthermore, they generate larger errors compared with the experimental results in the NLOS. The results obtained via the 3D ray launching method that considers the direct ray, reflected rays, and diffracted rays agree with the experimental results both in the LOS and NLOS. Therefore, the 3D ray launching method that considers the diffraction effect can improve the prediction accuracy of the millimeter wave channel parameters in a microcell.

A comparative study of the method of Williamson Hall and the pattern of cadmium oxide nanoparticles for X-rays

X-ray difraction (XRD) is an effective non-destructive instrument used in the determination and analysis of amorphous and crystalline materials. Three basic elements are the X-ray diffractometers: the X-ray tube, a retention of samples and an X-ray detector. In many industries such as diodes, transistors, detectors, solar and photovoltaic cells, cadmium oxide CdO nanoparticles are used. For this analysis, CdO nanoparticles are semi-conductors (type) and band-gaps of 2.5 eV and 1.98 eV in direct and indirect bands using cadmium oxide. Several temperatures, effects and parameters such as texture coefficient (TC), dislocation density(μ), special area (SSA), and micro strain were measured and determined (S). The peaks of the analysis were the extension of the nano structure, crystal size and grid pressure of the CdO and were measured using the Size Train Plot of Williamson-Hall (SSP). The composition of the particle is the cubic fluorite and spatial group Fm-3m (225). In the peaks resulting from the calcination process, strain enlargement was observed. Accordingly, the above procedure determined all physical parameters as a result of the diffraction effects.

High-accuracy computation of hard X-ray focusing and imaging for refractive optics

A mathematical apparatus for solving problems of X-ray wave propagation through complex optical systems, when the lens thickness can change with jumps, is developed and presented. The developed method is based on the use of the superposition of oriented Gaussian beams, which satisfy the Helmholtz equation with high accuracy. The wave propagation in air and through kinoform and ordinary lenses is considered. Focusing and imaging properties are compared for both types of X-ray optics. The diffraction effects arising due to thickness jumps in the kinoform lenses and the influence of these jumps on the X-ray focusing and imaging are investigated. The prospect of using the developed theory for X-ray optics applications is discussed.