Related papers: Simulation package for solving dynamic diffraction…
In this paper, we study the mathematical imaging problem of optical diffraction tomography (ODT) for the scenario of a microscopic rigid particle rotating in a trap created, for instance, by acoustic or optical forces. Under the influence…
A large share of today's HPC workloads is used for Ab-Initio Molecular Dynamics (AIMD) simulations, where the interatomic forces are computed on-the-fly by means of accurate electronic structure calculations. They are computationally…
X-ray Bragg coherent diffraction imaging has been demonstrated as a powerful three-dimensional (3D) microscopy approach for the investigation of sub-micrometer-scale crystalline particles. It is based on the measurement of a series of…
The numerical analysis of the diffraction features rendered by transmission electron microscopy (TEM) typically relies either on classical approximations (Monte Carlo simulations) or quantum paraxial tomography (the multislice method and…
We introduce a diffusion-transformer (DiT) framework for single-image reflection removal that leverages the generalization strengths of foundation diffusion models in the restoration setting. Rather than relying on task-specific…
We analyze the transfer function of a three-dimensional atomic Bragg beamsplitter formed by two counterpropagating pulsed Gaussian laser beams. Even for ultracold atomic ensembles, the transfer efficiency depends significantly on the…
The effects of thermal diffuse scattering on the transmission and eventual diffraction of highly accelerated electrons are investigated with a method that incorporates the frozen phonon approximation to the exact numerical solution of the…
Coherent acoustic phonons, whose damping sets the upper bound of quality factors in acoustic resonators, play a critical role in advanced telecommunication and quantum information technologies. Yet, probing their decay in the GHz regime…
We discuss efficient algorithms for the accurate forward and reverse evaluation of the discrete Fourier-Bessel transform (dFBT) as numerical tools to assist in the 2D polar convolution of two radially symmetric functions, relevant, e.g., to…
We present a treatise on solving the Takagi-Taupin equations in the case of a strain field with an additional, spatially slowly varying component (owing to \emph{e.g.}~heat expansion or angular compression). We show that the presence of…
We present a formalism of x-ray dynamical diffraction from volume diffractive optics with large numerical aperture and high aspect ratio, in an analogy to the Takagi-Taupin equations for strained single crystals. We derive a set of basic…
In this paper we investigate x-ray and $\gamma$-ray propagation in crystals having a constant strain gradient and flat or cylindrical surfaces. When a displacement field is present, we solve the Takagi-Taupin equations either by the…
Using the FDTD method, we investigate the electromagnetic propagation in two-dimensional photonic crystals, formed by parallel air cylinders in a dielectric medium. The corresponding frequency band structure is computed using the standard…
We study the diffraction produced by a $PT$-symmetric volume Bragg grating that combines modulation of refractive index and gain/loss of the same periodicity with a quarter-period shift between them. Such a complex grating has a directional…
In this work, the fast-convolving reproducing kernel particle method (FC-RKPM) is introduced. This method is hundreds to millions of times faster than the traditional RKPM for 3D meshfree simulations. In this approach, the meshfree…
This work outlines a diffuse interface method for the study of fracture and fragmentation in ductile metals at high strain-rates in Eulerian finite volume simulations. The work is based on an existing diffuse interface method capable of…
Coherent X-ray beams with energies $\geq 50$ keV can potentially enable three-dimensional imaging of atomic lattice distortion fields within individual crystallites in bulk polycrystalline materials through Bragg coherent diffraction…
Image computation is a fundamental tool for performance assessment of astronomical instrumentation, usually implemented by Fourier transform techniques. We review the numerical implementation, evaluating a direct implementation of the…
Elastically bent single-crystal Laue case diffraction crystals provide interesting new opportunities for imaging and spectroscopy applications. The diffraction properties are well understood, however, the ability to easily model the…
Bragg Coherent Diffraction Imaging (BCDI) is a powerful strain imaging tool, often limited by beam-induced sample instability for small particles and high power densities. Here, we devise and validate an adapted diffraction volume assembly…