Dynamical X-ray diffraction describes the full interaction of incident and scattered wavefields within a crystal, accounting for multiple scattering events that the simpler kinematical theory neglects ...

Organic molecular crystals can respond to external stimuli such as heat, light, and mechanical force, making them attractive candidates for next-generation functional materials. However, predicting ...

A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has developed a new computational method that can efficiently determine the crystal structures of multiphase ...

Intermetallic compounds are ordered alloys of two or more metallic elements that adopt discrete crystal structures and exhibit distinctive physical properties. Crystal structure analysis of these ...

For thousands of these materials, X-ray diffraction patterns exist but remain unsolved. To try to crack the structures of these materials, Freedman and her colleagues trained a machine-learning model ...

A software workflow automates X-ray analysis to spot crystal defects in diamond and advanced semiconductors, helping improve ...

What is X-Ray Crystallography? X-ray crystallography is a powerful analytical technique used to determine the atomic and molecular structure of crystalline materials. It involves directing a beam of X ...

XRD works by directing X-rays onto a crystalline material and analyzing the angles and intensities of the diffracted beams. The atomic planes within the crystal act as a three-dimensional grating, ...

For decades, chemists have relied on boron-bound nitrenes as fleeting intermediates in synthesis, but no one has been able to ...

The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...