Related papers: DXRD, a user-friendly suite of two- and multiple-b…
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…
Photoelectron diffraction (PED) is a powerful and essential experimental technique for resolving the structure of surfaces with sub-angstrom resolution. In the high energy regime, researchers in angle-resolved photoemission spectroscopy…
This thesis develops a general theoretical and numerical framework for achieving high-contrast atom interferometry based on double Bragg diffraction (DBD). While DBD offers intrinsic symmetry, reduced sensitivity to internal-state…
Materials identification and structural understanding from powder X-ray diffraction (PXRD) data is a long-standing challenge in materials science, fundamental to discovering and characterizing novel materials. A prerequisite for full…
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…
Recently, Gaussian splatting has emerged as a robust technique for representing 3D scenes, enabling real-time rasterization and high-fidelity rendering. However, Gaussians' inherent radial symmetry and smoothness constraints limit their…
Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphase systems, remains a manual and expertise-demanding task. As…
Serial electron diffraction (SerialED) is an emerging technique, which applies the snapshot data-collection mode of serial X-ray crystallography to three-dimensional electron diffraction (3D ED), forgoing the conventional rotation method.…
X-ray imaging is a rapid and cost-effective tool for visualizing internal human anatomy. While multi-view X-ray imaging provides complementary information that enhances diagnosis, intervention, and education, acquiring images from multiple…
This work proposes an innovative approach to improve Bragg coherent diffraction imaging (BCDI) microscopy applied to time evolving crystals and/or non-homogeneous crystalline strain fields, identified as two major limitations of BCDI…
The use of digitally reconstructed radiographs (DRRs) to solve inverse problems such as slice-to-volume registration and 3D reconstruction is well-studied in preoperative settings. In intraoperative imaging, the utility of DRRs is limited…
PCrystalX-Web is a web application developed to be easy and fast to use. The purpose of the software is that researchers from any area are able to use two methods to analyze an X-ray diffraction pattern more straightforwardly. With the full…
We study X-ray diffraction in smectic liquid crystal multilayers. Such systems are fabricated as freely suspended films and have a unique layered structure. As such, they can be described as organic Bragg mirrors with sub-nanometer…
Crystal truncation rods calculated in the kinematical approximation are shown to quantitatively agree with the sum of the diffracted waves obtained in the two-beam dynamical calculations for different reflections along the rod. The choice…
Crystal structure determination from powder diffraction patterns is a complex challenge in materials science, often requiring extensive expertise and computational resources. This study introduces DiffractGPT, a generative pre-trained…
Flexible elastic structures, such as beams, rods, ribbons, plates, and shells, exhibit complex nonlinear dynamical behaviors that are central to a wide range of engineering and scientific applications, including soft robotics, deployable…
Owing to their tunability and versatility, the two-dimensional materials are an excellent platform to conduct a variety of experiments. However, laborious device fabrication procedures remain as a major experimental challenge. One…
Powder X-ray diffraction (pXRD) experiments are a cornerstone for materials structure characterization. Despite their widespread application, analyzing pXRD diffractograms still presents a significant challenge to automation and a…
Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density…
Development generating diffraction-related valuable expressions and formulas capable of initiating new era for diffraction and for scientific domains that use it provided. The main expression, among these, gives diffracted intensity as…