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We demonstrate the use of the Fast Fourier Transform Beam Propagation Method (FFT BPM) to simulate dynamic diffraction effects, including scattering from deformed crystals with arbitrary shapes in Bragg, Laue, and asymmetric geometries. The…

Optics · Physics 2026-01-13 Jacek Krzywinski , Aliaksei Halavanau

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…

Computational Physics · Physics 2007-05-23 Svetlana Sytova

Free-electron lasers (FELs) can now generate temporally short, high power x-ray pulses of unprecedented brightness, even though their longitudinal coherence is relatively poor. The longitudinal coherence can be potentially improved by…

Accelerator Physics · Physics 2013-05-30 Ryan R. Lindberg , Yuri V. Shvyd'ko

Visualization of internal deformation fields in crystalline materials helps bridge the gap between theoretical models and practical applications. Applying Bragg coherent diffraction imaging under X-ray dynamical diffraction conditions…

Applied Physics · Physics 2025-12-29 Longlong Wu , David Yang , Wei Wang , Shinjae Yoo , Ross J. Harder , Wonsuk Cha , Aiguo Li , Ian K. Robinson

The spatiotemporal response of crystals in x-ray Bragg diffraction resulting from excitation by an ultra-short, laterally confined x-ray pulse is studied theoretically. The theory presents an extension of the analysis in symmetric…

Optics · Physics 2012-10-22 Yuri Shvyd'ko , Ryan Lindberg

We develop a theory for the trajectory of an x ray in the presence of a crystal deformation. A set of equations of motion for an x-ray wave packet including the dynamical diffraction is derived, taking into account the Berry phase as a…

Materials Science · Physics 2007-05-23 Kei Sawada , Shuichi Murakami , Naoto Nagaosa

The time-dependent Bragg diffraction by multilayer gratings working by reflection or by transmission is investigated. The study is performed by generalizing the time-dependent coupled-wave theory previously developed for one-dimensional…

Other Condensed Matter · Physics 2015-11-26 Jean-Michel André , Philippe Jonnard

The use of strongly bent crystals in spectrometers for pulses of a hard x-ray free-electron laser is explored theoretically. Diffraction is calculated in both dynamical and kinematical theories. It is shown that diffraction can be treated…

Instrumentation and Detectors · Physics 2019-05-28 Vladimir Kaganer , Ilia Petrov , Liubov Samoylova

We present simulations of Bragg Coherent X-ray Diffractive Imaging (CXDI) data from finite crystals in the frame of the dynamical theory of x-ray diffraction. The developed approach is based on numerical solution of modified Takagi-Taupin…

Materials Science · Physics 2017-08-30 A. G. Shabalin , O. M. Yefanov , V. L. Nosik , V. A. Bushuev , I. A. Vartanyants

The time evolution of the electron density and the resulting time dependence of X-ray diffraction peak intensity in a crystal irradiated by highly intense femtosecond pulses of an XFEL is investigated theoretically on the basis of rate…

Atomic Physics · Physics 2013-11-26 A. Leonov , D. Ksenzov , A. Benediktovitch , I. Feranchuk , U. Pietsch

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…

Mesoscale and Nanoscale Physics · Physics 2024-07-12 T. Zhou , M. J. Cherukara , S. Kandel , M. Allain , N. Hua , O. Shpyrko , Y. Takamura , Z. Cai , S. O. Hruszkewycz , M. V. Holt

The time-dependence of the Bragg diffraction by one-dimensional photonic crystals and its influence on the short pulse reflection are studied in the framework of the coupled- wave theory. The indicial response of the photonic crystal is…

Optics · Physics 2015-09-02 Jean-michel André , Philippe Jonnard

Dark-Field X-ray Microscopy (DFXM) is a diffraction-based synchrotron imaging techique capable of imaging defects in the bulk of extended crystalline samples. We present numerical simulations of image-formation in such a microscope using…

Materials Science · Physics 2022-02-24 Mads Carlsen , Carsten Detlefs , Can Yildirim , Trygve Ræder , Hugh Simons

X-ray free-electron lasers (XFELs) of high brightness have opened new opportunities for exploring ultrafast dynamical processes in matter, enabling imaging and movies of single molecules and particles at atomic resolution. In this paper, we…

Solving crystal structures from kinematical X-ray or electron diffraction patterns of single crystals requires many more diffracted beams to be recorded than there are atoms in the structure, since the phases of the structure factors can…

Materials Science · Physics 2023-02-13 Christoph T. Koch

We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units.…

Atomic and Molecular Clusters · Physics 2017-08-24 Malik Muhammad Abdullah , Zoltan Jurek , Sang-Kil Son , Robin Santra

We present a general analytic approach to spatially resolve the nano-scale lattice distortion field of strained and defected compact crystals with Bragg coherent x-ray diffraction imaging (BCDI). Our approach relies on fitting a…

In this theoretical study, the author firstly discusses the wave interference of Bragg diffraction inside 3D crystal, followed by quantum mechanical interpretation on the diffraction process, and proves that the interference fringe between…

Optics · Physics 2021-05-11 Tsumoru Shintake

Sub-angstrom spatial resolution of electron density coupled with sub-femtosecond temporal resolution is required to directly observe the dynamics of the electronic structure of a molecule after photoinitiation or some other ultrafast…

An FFT-based algorithm is developed to simulate the propagation of elastic waves in heterogeneous $d$-dimensional rectangular shape domains. The method allows one to prescribe the displacement as a function of time in a subregion of the…

Numerical Analysis · Mathematics 2022-12-21 R. Sancho , V. Rey de Pedraza , P. Lafourcade , R. A. Lebensohn , J. Segurado
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