The anharmonic phenomena in Zirconium Hydrides and Deuterides, including {epsilon}-ZrH2, {gamma}-ZrH, and {gamma}-ZrD, have been investigated from aspects of inelastic neutron scattering (INS) and lattice dynamics calculations within the framework of
density functional theory (DFT). The observed multiple sharp peaks below harmonic multi-phonon bands in the experimental spectra of all three materials did not show up in the simulated INS spectra based on the harmonic approximation, indicating the existence of strong anharmonicity in those materials and the necessity of further explanations. We present a detailed study on the anharmonicity of zirconium hydrides/deuterides by exploring the 2D potential energy surface of hydrogen/deuterium atoms, and solving the corresponding 2D single-particle Schrodinger equation to get the eigenfrequencies. The obtained results well describe the experimental INS spectra and show harmonic behavior in the fundamental modes and strong anharmonicity at higher energies.
The first eight years of operation of the Cold Neutron Chopper Spectrometer (CNCS) at the Spallation Neutron Source in Oak Ridge is being reviewed. The instrument has been part of the facility user program since 2009, and more than 250 individual use
r experiments have been performed to date. CNCS is an extremely powerful and versatile instrument and offers leading edge performance in terms of beam intensity, energy resolution, and flexibility to trade one for another. Experiments are being routinely performed with the sample at extreme conditions: T~0.05K, p>=2GPa and B=8T can be achieved individually or in combination. In particular, CNCS is in a position to advance the state of the art with inelastic neutron scattering under pressure, and some of the recent accomplishments in this area will be presented in more detail.
