Related papers: Simulation of X-ray diffraction profiles for bent …
Randomly textured polycrystalline materials of constituents with highly anisotropic nature of grains can be considered globally isotropic. In order to determine the isotropic properties, like elasticity or conductivity, we propose a theory…
Crystalline materials used in technological applications are often complex assemblies composed of multiple phases and differently oriented grains. Robust identification of the phases and orientation relationships from these samples is…
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…
Evolution of composition patterns in the annealed, single-crystal surface alloy film is considered in the presence of the spinodal decomposition, the compositional stress and the diffusion anisotropy. While the former two effects contribute…
Synchrotron radiation facilities provide highly polarized X-ray beams across a wide energy range. However, the exact type and degree of polarization varies according to the beamline and experimental setup. To accurately determine the angle…
An easily accessible method is presented that permits to calculate spectra involving atomic multiplets relevant to X-ray Absorption Spectroscopy (XAS) and Resonant Inelastic X-ray Scattering (RIXS) experiments. We present specific examples…
Despite the huge advancement in knowledge discovery and data mining techniques, the X-ray diffraction (XRD) analysis process has mostly remained untouched and still involves manual investigation, comparison, and verification. Due to the…
Solving crystal structures from powder X-ray diffraction (XRD) is a central challenge in materials characterization. In this work, we study the powder XRD-to-structure mapping using gradient descent optimization, with the goal of recovering…
We consider the multiple scattering of light by fluctuations of the director in a nematic liquid crystal. Using methods of numerical simulation the peak of the coherent backscattering and the coefficients of anisotropic diffusion are…
We experimentally address the wave-vector and polarization dependence of the internal conical refraction phenomenon by demonstrating that an input light beam of elliptical transverse profile refracts into two beams after passing along one…
The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the…
We present a new approach for simulating x-ray nanobeam Bragg coherent diffraction patterns based on the Takagi-Taupin equations. Compared to conventional methods, the current approach can be universally applied to any weakly strained…
We present spectral calculations of non-LTE accretion disk models appropriate for high luminosity stellar mass black hole X-ray binary systems. We first use a dissipation profile based on scaling the results of shearing box simulations of…
Phase-field models of microstructural pattern formation during alloy solidification are commonly solved numerically using the finite-difference method, which is ideally suited to carry out computationally efficient simulations on massively…
It is shown that the diffraction on a polycrystal can be used for investigation and diagnostics of X-ray radiation emitted in a forward direction by relativistic charged particles moving in crystalline or other targets or fields. Methods…
An investigation on stochastic deflection of high-energy charged particles in a bent crystal was carried out. In particular, we investigated the deflection efficiency under axial confinement of both positively and negatively charged…
A general spherical harmonics method is described for extracting anisotropic pair distribution functions (PDF) in this work. In the structural study of functional crystallized materials, the investigation of the local structures under the…
Refraction and diffraction of waves in natural crystals and artificial crystals formed by anisotropically scattering centers are considered. A detailed study of the electromagnetic wave refraction in a two-dimensional photonic crystal…
This paper describes how to efficiently solve time-dependent x-ray dynamic diffraction problems in distorted crystals with an FFT-based beam propagation method (FFT BPM). We show examples of using the technique to simulate the propagation…
The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we…