English
Related papers

Related papers: Solution of the crystallographic phase problem by …

200 papers

Three-dimensional phase contrast imaging of multiply-scattering samples in X-ray and electron microscopy is extremely challenging, due to small numerical apertures, the unavailability of wavefront shaping optics, and the highly nonlinear…

Computational Physics · Physics 2021-06-02 Philipp M Pelz , Hamish G Brown , Jim Ciston , Scott D Findlay , Yaqian Zhang , Mary Scott , Colin Ophus

Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developing models for interface and grain boundary structures. In…

Materials Science · Physics 2020-02-21 Félix Therrien , Peter Graf , Vladan Stevanović

The projected electrostatic potential of a thick crystal is reconstructed at atomic-resolution from experimental scanning transmission electron microscopy data recorded using a new generation fast- readout electron camera. This practical…

Materials Science · Physics 2019-01-02 Hamish G. Brown , Zhen Chen , Matthew Weyland , Colin Ophus , Jim Ciston , Les J. Allen , Scott D. Findlay

Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…

Materials Science · Physics 2022-04-05 Heejung Chung , Rodrigo Freitas , Gowoon Cheon , Evan J. Reed

The calculation of crystal structure from X-ray diffraction data requires that the phases of the ``structure factors'' (Fourier coefficients) determined by scattering be deduced from the absolute values of those structure factors. Motivated…

Commutative Algebra · Mathematics 2009-07-06 Joe Buhler , Zinovy Reichstein

Multi-technique high resolution X-ray mapping enhanced by the recent advent of 4th generation synchrotron facilities can produce colossal datasets, challenging traditional analysis methods. Such difficulty is clearly materialized when…

A new phasing algorithm has been used to determine the phases of diffuse elastic X-ray scattering from a non-periodic array of gold balls of 50 nm diameter. Two-dimensional real-space images, showing the charge-density distribution of the…

Crystalline phase structure is essential for understanding the performance and properties of a material. Therefore, this study identified and quantified the crystalline phase structure of a sample based on the diffraction pattern observed…

Materials Science · Physics 2023-09-27 Ryo Murakami , Yoshitaka Matsushita , Kenji Nagata , Hayaru Shouno , Hideki Yoshikawa

We present detailed elaboration and first generally applicable linearization routines of the \textit{Parameter Space Concept} (PSC) for determining 1-dimensionally projected structures of $m$ independent scatterers. This crystal…

Computational Physics · Physics 2024-11-14 Muthu Vallinayagam , Melanie Nentwich , Dirk C. Meyer , Matthias Zschornak

We present a comprehensive review of the emerging crystal structure determination method Parameter Space Concept (PSC), which solves and refines either partial or complete crystal structures by mapping each experimental or theoretical…

Computational Physics · Physics 2025-10-06 Matthias Zschornak , Muthu Vallinayagam , Melanie Nentwich , Dirk C. Meyer , Karl Fischer

The algebraic approach to the phase problem for the case of X-ray scattering from an ideal crystal is extended to the case of the neutron scattering, overcoming the difficulty related to the non-positivity of the scattering density. In this…

Mathematical Physics · Physics 2007-05-23 A. Cervellino , S. Ciccariello

One of the most powerful approaches to imaging at the nanometer or subnanometer length scale is coherent diffraction imaging using X-ray sources. For amorphous (non-crystalline) samples, the raw data can be interpreted as the modulus of the…

Numerical Analysis · Mathematics 2020-04-02 Alexander Barnett , Charles L. Epstein , Leslie Greengard , Jeremy Magland

This paper considers the question of recovering the phase of an object from intensity-only measurements, a problem which naturally appears in X-ray crystallography and related disciplines. We study a physically realistic setup where one can…

Information Theory · Computer Science 2013-11-08 Emmanuel Candes , Xiaodong Li , Mahdi Soltanolkotabi

We report on a new algorithm for detection of crystallographic information in 3D, as retained in Atom Probe Tomography (APT), with improved robustness and signal detection performance. The algorithm is underpinned by 1D distribution…

Materials Science · Physics 2019-05-22 Daniel Haley , Paul A. J. Bagot , Michael P. Moody

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…

Materials Science · Physics 2023-11-21 S. V. Gabielkov , I. V. Zhyganiuk , A. D. Skorbun

Coherent Diffractive Imaging is a lensless technique that allows imaging of matter at a spatial resolution not limited by lens aberrations. This technique exploits the measured diffraction pattern of a coherent beam scattered by periodic…

Computational Physics · Physics 2025-08-27 Alessandro Colombo , Davide Emilio Galli , Liberato De Caro , Francesco Scattarella , Elvio Carlino

In coherent X-ray diffraction microscopy the diffraction pattern generated by a sample illuminated with coherent x-rays is recorded, and a computer algorithm recovers the unmeasured phases to synthesize an image. By avoiding the use of a…

We experimentally demonstrate how to solve the phase problem of diffraction using multi-wave interference with standard diffraction experimental setups without the need for taking any auxiliary data. In particular, we show that the phases…

Optics · Physics 2021-05-04 M. Fally , Y. Tomita , A. Fimia , R. F. Madrigal , J. Guo , J. Kohlbrecher , J. Klepp

Digital images from crystals, as projected from the third spatial dimension and recorded in atomic resolution with any kind of real-world microscope, feature necessarily broken symmetries of the translation-periodicity-restricted Euclidean…

Materials Science · Physics 2025-11-25 Tyler Bortel , Peter Moeck

Modern imaging techniques at the molecular scale rely on utilizing novel coherent light sources like X-ray free electron lasers for the ultimate goal of visualizing such objects as individual biomolecules rather than crystals. Here, unlike…