Chemical approaches to materials synthesis and modification, including sol-gel processing, self-assembly, surface chemistry, catalytic materials, and chemically derived nanomaterials
3 papersThis paper introduces JANA2020, a significantly updated version of the crystallographic software JANA. Key improvements include a new graphical interface, enhanced tools for twinned and magnetic structures, and advanced analysis based on electron diffraction data.
This study identifies "truly chiral phonons" in the 3D chiral crystal α-HgS, these phonons propagate while rotating, and their behavior is linked to the crystal's chirality. The research utilizes circularly polarized Raman scattering and first-principles calculations, demonstrating a conservation law between the pseudo-angular momentum of light and these chiral phonons.
This study uses convolutional neural networks (CNNs) trained on synthetic XRD data to identify constituent phases in multiphase inorganic compounds. The models achieved near-perfect accuracy on simulated and some real XRD data for phase identification, and reasonable accuracy for a simplified three-level phase fraction prediction.