(Nanowerk News) The surface properties of complex crystalline materials can be calculated reliably and automatically using only the fundamental laws of physics, thanks to a new computer-based method.

Researchers developed a method that gradually adds and removes atoms in simulations, enabling realistic modeling of crystal defects that affect material strength.

Researchers and industries have been using transmission electron microscopy (TEM) to study semiconductors' stacking and dislocation faults. This article considers the analysis of crystal structures.

Quantum engineers have spent years trying to tame the fragility of qubits, only to be thwarted by the tiniest imperfections in the materials they use. Now a new line of research flips that problem on ...

Defect bits: representation of two n-bits along a defect line (shown in black). Shown are the orientations of the rod-like molecules that comprise liquid crystals. (Courtesy: Žiga Kos and Jörn ...

Using hard X-ray photoemission spectroscopy, researchers revealed how oxygen vacancies and structural disorder influence subgap state formation. The figure shows the InGaZnO 4 crystal structure, the ...

Based on a small amount of basic information about a crystal's structure, the Oldenburg researchers' programme calculates the properties of complex new materials. Computer-based methods are becoming ...