Structural defects are abundant in solids, and vital to the macroscopic materials properties. However, a defect-property linkage typically requires significant efforts from experiments or simulations, ...

For more than 100 years, scientists have been using X-ray crystallography to determine the structure of crystalline materials such as metals, rocks, and ceramics. This technique works best when the ...

X-ray diffraction (XRD) is one of the most widely used structural characterization techniques for inorganic crystalline materials. Since Bragg’s law was first proposed in 1912, X-ray crystallography ...

Researchers at New York University have devised a mathematical approach to predict the structures of crystals—a critical step in developing many medicines and electronic devices—in a matter of hours ...