Neutron scattering is an ideal probe of the atomic structure and dynamics in solids, from fast ionic diffusion in solid electrolytes to lattice dynamics in thermoelectrics or ferroelectrics. These dynamics bridge the time-scales probed by quasielastic and inelastic neutron scattering (QENS/INS). This presentation will illustrate the complementarity of QENS -both coherent and incoherent- and...
The analysis of QENS data has historically used analytical models that describe the physics of some diffusive phenomena. However, this approach is often limited by the assumptions of these models. Classical molecular dynamics simulations offer a complementary approach to probe diffusion in materials, covering similar time and length scales to QENS. However, typically, it isn't easy to obtain...
Low lattice thermal conductivity is critical to thermoelectric materials and thermal barrier coatings. Combining first-principles calculations and neutron scattering experiments using CSNS@MPI as well as J-PARC@AMATERAS, we study the phonon dynamics properties of the recently synthesized low thermal conductivity material CsAg5Te3 [1]. Our results demonstrate that the liquid-like heat transfer...
Complex hydrides, such as Mg(BH4)2, have been studied for solid-state hydrogen storage application due to the high content of hydrogen per mass and volume in these compounds. Additionally, chemically bounded hydrogen and lower operational pressures offer significant safety advantages over the traditional storage methods in pressurized or cryogenic tanks. However, hydrogen release and...
Hydrogen diffusion plays a key role in many materials of high interest for science and society; examples are proton conducting materials for utilization in environment friendly and efficient hydrogen fuel cells, and materials that can store hydrogen or facility important, industrial catalytic processes. However, fundamental questions surrounding the mechanism of hydrogen diffusion and its...
We present recent developments in resonant spin echo techniques, focusing on Neutron Resonance Spin Echo (NRSE) and Modulation of Intensity with Zero Effort (MIEZE). These techniques have emerged as powerful tools for quasielastic neutron scattering, offering unique advantages over traditional methods such as backscattering and conventional Neutron Spin Echo (NSE). We will provide a...
A QENS study on IN16B (ILL) together with elastic and inelastic fixed-window-scans up to 380 K on humid citrate-coated iron oxide nanoparticles with a diameter of 6 nm show the presence of two diffusive species in the interface region. A comparison between hydrogenated and deuterated samples collected on EMU (ANSTO) allows for an assignment to ligand- and water dynamics. In a global fit...
Iron oxide nanoparticles (IONPs) are extensively used in many different fields ranging from heterogeneous catalysis to biochemistry. Optimizing their performance especially under humid conditions where water interactions significantly influence the functional behavior depends on an understanding of the atomic‐scale dynamics of surface‐bound species. The interface dynamics can be probed by QENS...
Cooperativity plays a crucial role in shaping the spin crossover (SCO) transition behavior, influencing its abruptness, hysteresis, and thermal response—features that are critical for applications such as solid-state barocaloric cooling. Previous studies have demonstrated a strong link between intermolecular interactions (e.g., hydrogen bonding, π–π stacking) and cooperativity. However, the...
