From Static Structures to Molecular Dynamics: Emerging Directions in X-Ray and Electron Materials Characterization
Abstract
Structural analysis using X-rays and electron beams has long provided the average arrangement of atoms and molecules-that is, "structural information"-with high precision. By contrast, static measurements cannot directly yield dynamic information on how a material changes over time; instead, information on motion is convolved into a single numerical value such as the B-factor (atomic displacement parameter). Taking this limitation as its starting point, this review surveys the recent trend of introducing a time axis into measurements to observe material dynamics directly. First, we outline the technological foundations that have made the transition from static to time-resolved measurement possible. It rests on the dramatic shortening of exposure times, enabled by the increased brilliance of X-ray and electron sources and by advances in detection technology such as direct photon-counting detectors. Next, we survey dynamic measurement techniques, including time-resolved X-ray crystallography, coherent X-ray scattering, neutron scattering, and time-resolved electron microscopy. We also point out the essential limitation that most of them still return ensemble or volume averages. Building on this, we systematically describe diffracted X-ray tracking (DXT), diffracted X-ray blinking (DXB), small-angle X-ray blinking (SAXB), transmitted X-ray blinking (TXB), and electron-beam molecular dynamics (EBMD), which use gold nanocrystals and gold nanoparticles as motion probes. We…
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