Related papers: Simulation of X-ray diffraction profiles for bent …
There is today a growing need to accurately model the angular scattering response of metasurfaces for optical analog processing applications. However, the current metasurface modeling techniques are not well suited for such a task since…
State-of-the-art computational methods combined with common idealized structural models provide an incomplete understanding of experiments on real nanostructures, since manufacturing introduces unavoidable deviations from the design. We…
Quantitative phase analysis is one of the major applications of X-ray powder diffraction. The essential principle of quantitative phase analysis is that the diffraction intensity of a component phase in a mixture is proportional to its…
Structural rearrangement of polystyrene colloidal crystals under dry sintering conditions has been revealed by in situ grazing incidence X-ray scattering. Measured diffraction patterns were analysed using distorted wave Born approximation…
We demonstrate an isotropic depolarizing channel with a controllable degree of depolarization. The depolarizer is composed of four birefringent crystals and half-wave plates. Quantum process tomography results of the depolarization effect…
The NCrystal library provides a range of models for simulation of both elastic and inelastic scattering of thermal neutrons in a range of material structures. This article presents the available models for elastic scattering, and includes…
Crystal structure prediction for a given chemical composition has long been a challenge in condensed-matter science. We have recently shown that experimental powder X-ray diffraction (XRD) data are helpful in a crystal structure search…
In this article, we derive a theoretical formalism that unifies the rigorous coupled wave analysis and the dynamical diffraction theory. Based on this formalism, we design a computational approach for the diffraction calculation for the…
In this paper, we present a simple, yet versatile, analytical model of one-dimensional photonic crystal (1D PC). In our theoretical model, we take into account direction of propagation and therefore do not neglect anisotropic nature of…
In this work we present an alternative way to look at electron diffraction in a transmission electron microscope. In stead of writing the scattering amplitude in Fourier space as a set of plane waves, we use the cylindrical Fourier…
Based on the convex hull construction algorithm, a new geometrical model of ice crystals is proposed to investigate the scattering properties of cirrus clouds particles. Light scattering matrices involving complete polarization information…
This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…
We propose a simple cluster-based method with application to calculations of Compton profile anisotropies of ice. The convergence of the method is checked with respect to Crystal95 results. Increasing both basis-set quality and cluster…
We propose an application of the Angular X-ray Cross-Correlation Analysis (AXCCA) to the scattered intensity distribution measured in three-dimensional (3D) reciprocal space from a single crystalline sample. Contrary to the conventional…
The objective of this article is to study the behavior of electromagnetic field under X-ray diffraction by time-dependent deformed crystals. Derived system of differential equations looks like the Takagi equations in the case of…
A new real space quantum mechanical approach with local field effects included is applied to the calculation of the optical properties of silicon nanocrystals. Silicon ellipsoids are studied and the role of surface polarization is discussed…
Smectic liquid crystals can be viewed as model systems for lamellar structures for which there has been extensive theoretical development. We demonstrate that a nonlinear energy description is required with respect to the usual Landau-de…
Corrections to elastic moduli, including the effective shear modulus, of a solid neutron star crust due to electron screening are calculated. At any given mass density, the crust is modelled as a body-centred cubic Coulomb crystal of fully…
While the implementation of single particle coherent diffraction imaging for non-crystalline particles is complicated by current limitations in photon flux, hit rate, and sample delivery a concept of many-particle coherent diffraction…
X-ray diffractometers primarily designed for surface x-ray diffraction are often used to measure the diffraction from powders, textured materials, and fiber-texture samples in so-called $2\theta$ scans. Unlike high-energy powder diffraction…