J. Brandon Keith1, Justin Purewal1, Channing Ahn1, Brent Fultz1, and Nicholas D. Souza2. (1) Division of Engineering and Applied Science, California Institute of Technology, 1200 E California Blvd, Pasadena, CA 91125, (2) Intense Pulsed Neutron Source, Argonne National Labs, 9700 S. Cass Avenue, Argonne, IL 60439
Understanding hydrogen's interactivity with storage materials is essential to a hydrogen economy. Using neutron diffraction, isotherm measurements, and inelastic and quasielastic neutron scattering from hydrogen in stage II potassium graphite intercalated graphite, we have made a comprehensive study of hydrogen self- and host-interaction at a range of temperatures (10-120 K) and pressures. We have identified rotational and translational quantum states and have modeled these using phonon-generated simulated neutron scattering and diffusive scattering from quantum-corrected or delocalized molecular dynamics. We have also modeled hydrogen's hydrodynamics and predict a large elevation of the melting temperature due to nanoconfinement.