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Serial snapshot crystallography for materials science with SwissFEL

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Why are materials with specific characteristics more abundant than others? This is a fundamental question in materials science and one that is traditionally difficult to tackle, given the vastness of compositional and configurational space. We highlight he ...

Nature Portfolio2024

A data-driven interpretation of the stability of organic molecular crystals

Michele Ceriotti, Edgar Albert Engel, Maria Pakhnova

Due to the subtle balance of intermolecular interactions that govern structure-property relations, predicting the stability of crystal structures formed from molecular building blocks is a highly non-trivial scientific problem. A particularly active and fr ...

ROYAL SOC CHEMISTRY2023

Although W. L. Bragg's law can be easily derived for beginners in the field of crystallography, its interpretation however seems to cause some difficulties which lies essentially in the relation between the concept of lattice planes and the unit cell const ...

2022

Comparing crystal structures with symmetry and geometry

Anirudh Raju Natarajan

Measuring the similarity between two arbitrary crystal structures is a common challenge in crystallography and materials science. Although there are an infinite number of ways to mathematically relate two crystal structures, only a few are physically meani ...

2021

Continuous pathways that connect different crystal structures can play a crucial role in determining the mechanisms with which structural phase transformations occur. The number of known pathways connecting metallic phases, such as the Bain path and the Bu ...

2021

Characterizing crystalline defects in single nanoparticles from angular correlations of single-shot diffracted X-rays

Christoph Bostedt, Alessandro Colombo, Giorgio Rossi

Characterizing and controlling the uniformity of nanoparticles is crucial for their application in science and technology because crystalline defects in the nanoparticles strongly affect their unique properties. Recently, ultra-short and ultra-bright X-ray ...

INT UNION CRYSTALLOGRAPHY2020

Convergent beam electron diffraction of multilayer Van der Waals structures

Tatiana Latychevskaia

Convergent beam electron diffraction is routinely applied for studying deformation and local strain in thick crystals by matching the crystal structure to the observed intensity distributions. Recently, it has been demonstrated that CBED can be applied for ...

2020

Discovering hierarchies among intermetallic crystal structures

Anirudh Raju Natarajan

The crystal structure of a compound plays an important role in determining its properties. Here we analyze over 4000 intermetallic compounds, and we identify a hierarchical relationship between their crystal structures. By considering each intermetallic co ...

2020

Strain glass transition of cobalt phase in a cemented carbide

Daniele Mari, Samy Adjam

Cemented carbides are hard materials used for the fabrication of cutting tools. They consist of hard micron or sub-micron carbide grains held together in a matrix of a tough metallic binder such as cobalt. The understanding and control of cobalt characteri ...

ELSEVIER SCI LTD2020

Characterizing crystalline defects in single Xe nanoparticles from angular correlations of single-shot diffracted X-rays

Yiming Li, Christoph Bostedt

We performed a wide-angle X-ray scattering experiment of single Xe nanoparticles using an X-ray free electron laser. We developed a novel analysis method that focuses on the angular correlation between plural Bragg spots in single-shot diffraction patterns ...

IOP PUBLISHING LTD2020