Related papers: Simulation of X-ray diffraction profiles for bent …
We develop a model for the reflection and transmission of plane waves by an isotropic layer sandwiched between two uniaxial crystals of arbitrary orientation. In the laboratory frame, reflection and transmission coefficients corresponding…
In this paper, we revisit computational methods to obtain an angular profile of optical scattering from a smooth surface, given a two-dimensional map of topographic height errors of the surface. Quick derivations of some traditional…
Imaging of the Bragg reflected x-ray beam is proposed and validated as an in-situ method for characterization of performance of double-crystal monochromators under the heat load of intense synchrotron radiation. A sequence of images is…
This paper considers the refraction and diffraction of waves in three-dimensional crystals formed by anisotropically scattering centers. The partial wave expansion method is used to consider the effect of multiple rescattering of waves by…
Dendritic crystal growth in a pure undercooled melt is simulated quantitatively in three dimensions using a phase-field approach. The full non-axisymmetric morphology of the steady-state dendrite tip and $\sigma^*$ are determined as a…
A method for estimating the relative content of crystalline phases of a multiphase sample, based on probabilistic analysis of the intensities of the diffraction pattern reflexes, has been developed. The method is based on the introduction…
The DXRD program suite consisting of a series of dynamical-theory programs is introduced for computing dynamical X-ray diffraction from single crystals. Its interactive graphic user interfaces (GUIs) allow general users to make complicated…
Dense packing of particles has provided important models to study the structure of matter in various systems such as liquid, glassy and crystalline phase, etc. The simplest sphere packing models are able to represent and capture salient…
Progressive deformation of upper mantle rocks via dislocation creep causes their constituent crystals to take on a non-random orientation distribution (crystallographic preferred orientation or CPO) whose observable signatures include…
We present a new approach to computing multiplets for core spectroscopies, whereby the crystal field is constructed explicitly from the positions and charges of surrounding atoms. The simplicity of the input allows the consideration of…
The pulse shapes simulated in the accompanying paper Part $-$ I are compared with observations of a model binary accreting X-ray pulsar, Centaurus X-3. With known Cen X-3 inclination angles provided as input to the $\texttt{AXP4}$ code, the…
The model of nonlinear interaction of proper waves of photonic crystal with plane acoustic wave was developed. The formulation of the model is reduced to the eigenvalue problem, which can be solved by computer simulations. By means of the…
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…
Determining the atomic-level structure of crystalline solids is critically important across a wide array of scientific disciplines. The challenges associated with obtaining samples suitable for single-crystal diffraction, coupled with the…
A widespread, intuitive and computationally inexpensive method to analyze light guidance through waveguide bends is by introducing an equivalent straight waveguide with refractive index profile modified to account for actual waveguide bend.…
The anisotropic phase-field crystal model recently proposed and used by Prieler et al. [J. Phys.: Condens. Matter 21, 464110 (2009)] is derived from microscopic density functional theory for anisotropic particles with fixed orientation.…
The refractive index of a y-cut SiO$_2$ crystal surface is reconstructed from polarization dependent soft X-ray reflectometry measurements in the energy range from 45 eV to 620 eV. Due to the anisotropy of the crystal structure in the (100)…
Quantitative measurements of extended defects in crystalline materials are important in understanding material behaviour. X-ray line profile analysis provides a complement to direct counting in the electron microscope, but is an indirect…
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 presents simulations of the trajectories of high-energy ions through several bent crystal layers. At certain layer alignments volume reflection occurs from each layer and the resultant multiple volume reflection angle is…