相关论文: Automatic physical phasing X-ray crystallography
Determining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure has a high complexity. While recent AI…
The invariant is one of central topics in science, technology and engineering. The differential invariant is essential in understanding or describing some important phenomena or procedures in mathematics, physics, chemistry, biology or…
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…
Dynamical diffraction effects always play a role when working with perfect single crystals. The penetration of X-rays respect to the surface normal during diffraction (extinction depth, $1/\sigma_e$) in perfect single crystals does not have…
Machine learning has been applied to the problem of X-ray diffraction phase prediction with promising results. In this paper, we describe a method for using machine learning to predict crystal structure phases from X-ray diffraction data of…
The phase variation with angle of hadronic amplitudes is studied with a view to understanding the underlying physical quantities which control it and how well it can be determined in free space. We find that unitarity forces a moderately…
Iterative phase retrieval algorithms are widely used in digital optics for their efficiency and simplicity. Conventionally, these algorithms do not consider aberrations as they assume an ideal, aberration-free optical system. Here, we…
The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…
Electric and magnetic multipole densities in crystalline solids, including the familiar electric dipole density in ferroelectrics and the magnetic dipole density in ferromagnets, are of central importance for our understanding of ordered…
Quantum mechanical wave functions have phases. These phases either initial or acquired during time evolution usually do not enter the final expressions for observable physical quantities. Nevertheless in many cases the observable physical…
Quantum phase is not a direct observable and is usually determined by interferometric methods. We present a method to map complete electron wave functions, including internal quantum phase information, from measured single-state probability…
AMORPH utilizes a new Bayesian statistical approach to interpreting X-ray diffraction results of samples with both crystalline and amorphous components. AMORPH fits X-ray diffraction patterns with a mixture of narrow and wide components,…
Experimental quantum simulators have become large and complex enough that discovering new physics from the huge amount of measurement data can be quite challenging, especially when little theoretical understanding of the simulated model is…
Discrete time crystals are a special phase of matter in which time translational symmetry is broken through a periodic driving pulse. Here, we first propose and characterize an effective mechanism to generate a stable discrete time crystal…
Theoretical aspects of x-ray standing wave method for investigation of the real structure of crystals are considered in this review paper. Starting from the general approach of the secondary radiation yield from deformed crystals this…
X-ray crystallography (XC) is an experimental technique used to determine three-dimensional crystalline structures. The acquired data in XC, called diffraction patterns, is the Fourier magnitudes of the unknown crystalline structure. To…
Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…
Topological phases of matter are often understood and predicted with the help of crystal symmetries, although they don't rely on them to exist. In this chapter we review how topological phases have been recently shown to emerge in amorphous…
We apply a pulsed-light interferometer to measure both the intensity and the phase of light that is transmitted through a strongly scattering disordered material. From a single set of measurements we obtain the time-resolved intensity,…
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking…