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The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either…

Materials Science · Physics 2018-04-10 Tian Xie , Jeffrey C. Grossman

Small-angle X-ray scattering (SAXS) and X-ray diffraction (XRD) techniques are widely used as analytical tools in the optimization and control of nanomaterial synthesis processes. In crystalline nanoparticle systems with size distribution,…

Among the many families of nonperiodic tilings known so far, SCD tilings are still a bit mysterious. Here, we determine the diffraction spectra of point sets derived from SCD tilings and show that they have no absolutely continuous part,…

Mathematical Physics · Physics 2014-09-30 Michael Baake , Dirk Frettlöh

In a recent publication [D. P. Varn, G. S. Canright, and J. P. Crutchfield, Phys. Rev. B {\bf 66}:17, 156 (2002)] we introduced a new technique for discovering and describing planar disorder in close-packed structures (CPSs) directly from…

Materials Science · Physics 2007-05-23 D. P. Varn , G. S. Canright , J. P. Crutchfield

Speckle patterns produced by coherent X-ray have a close relationship with the internal structure of materials but quantitative inversion of the relationship to determine structure from speckle patterns is challenging. Here, we investigate…

The ability to measure small deformations or strains is useful for understanding many aspects of materials. Here, a new analysis of speckle diffraction peaks is presented in which the systematic shifts of the speckles are analyzed allowing…

Materials Science · Physics 2021-02-17 Mark Sutton , J. R. M. Lhermitte , F. Livet , F. Ehrburger-Dolle

Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of crystalline microstructure can accelerate the identification of…

Materials Science · Physics 2026-02-16 Kwanghwi Je , Ellis R. Kennedy , Sungin Kim , Yao Yang , Erik H. Thiede

Ultrafast nanocrystallography has the potential to revolutionize biology by enabling structural elucidation of proteins for which it is possible to grow crystals with 10 or fewer unit cells on the side. The success of nanocrystallography…

Optics · Physics 2012-09-24 F. R. N. C. Maia , C. Yang , S. Marchesini

Powder X-ray diffraction analysis is a critical component of materials characterization methodologies. Discerning characteristic Bragg intensity peaks and assigning them to known crystalline phases is the first qualitative step of…

Materials Science · Physics 2023-04-12 Jaimie Greasley , Patrick Hosein

Scattering methods are widely used in many research areas to analyze and resolve material structures. Given the importance, a large number of full textbooks are devoted to this topic. However, technical details in experiments and…

Soft Condensed Matter · Physics 2021-04-02 Dingning Li , Kai Zhang

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

Energy-dispersive X-ray diffraction (EDXRD) is extremely insensitive to sample morphology when implemented in a back-reflection geometry. The capabilities of this non-invasive technique for cultural heritage applications have been explored…

Instrumentation and Detectors · Physics 2021-11-19 Craig I. Hiley , Graeme M. Hansford , Nicholas Eastaugh

Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…

Biomolecules · Quantitative Biology 2016-08-02 Irem Altan , Patrick Charbonneau , Edward H. Snell

The recently developed information-theoretic approach to crystallographic symmetry classifications and quantifications in two dimensions (2D) from digital transmission electron and scanning probe microscope images is adapted for the…

Materials Science · Physics 2022-02-15 Peter Moeck , Lukas von Koch

Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…

Materials Science · Physics 2021-07-20 Alexandre Boulle , Alain Chartier , Aurélien Debelle , Xin Jin , Jean-Paul Crocombette

We report on results from an experiment at the European XFEL where we measured the x-ray Thomson scattering (XRTS) spectrum of single crystal silicon with ultrahigh resolution. Compared to similar previous experiments, we consider a more…

Since Perutz, Kendrew and colleagues unveiled the structure of hemoglobin and myoglobin based on X-ray diffraction analysis in the 1950s, X-ray crystallography has become the primary methodology used to determine the 3D structure of…

The depth dependence of crystalline structure within thin films is critical for many technological applications, but has been impossible to measure directly using common techniques. In this work, by monitoring diffraction peak intensity and…

Applied Physics · Physics 2018-05-24 Eliot Gann , Mario Caironi , Yong-Young Noh , Yun-Hi Kim , Christopher R. McNeill

The resolution of X-ray diffraction microscopy is limited by the maximum dose that can be delivered prior to sample damage. In the proposed Serial Crystallography method, the damage problem is addressed by distributing the total dose over…

High-energy X-ray diffraction methods can non-destructively map the 3D microstructure and associated attributes of metallic polycrystalline engineering materials in their bulk form. These methods are often combined with external stimuli…