Real-space local self-motion of protonated and deuterated water

ORAL

Abstract

We report on the self-part of the Van Hove correlation function of water and deuterated water. The Van Hove correlation function was determined by transforming inelastic scattering spectra of neutrons or x-rays over a wide range of momentum transfer and energy transfer to space and time. The short-range diffusivity was estimated from the Van Hove correlation function in the framework of the Gaussian approximation. The diffusivity was found to be different from the long-range macroscopic diffusivity in the hydrodynamic regime, providing information about the local atomic dynamics.

*Work by Y.S., W.D. C.W.R. and T.E. was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Science, Materials Science and Engineering Division under Contract No. DE-AC05-00OR22725.

–

Publication: Phys. Rev. E 109, 064608 (2024).

Presenters

  • Yuya Shinohara

    • Materials Science and Technology Division, Oak Ridge National Laboratory, USA.
    • Oak Ridge National Laboratory

Authors

  • Yuya Shinohara

    • Materials Science and Technology Division, Oak Ridge National Laboratory, USA.
    • Oak Ridge National Laboratory

  • Takuya Iwashita

    • Oita University

  • Masahiro Nakanishi

    • Fukuoka Institute of Technology

  • Wojciech Dmowski

    • Department of Materials Science and Engineering, The University of Tennessee, Knoxville, USA.
    • University of Tennessee, Knoxville

  • Chae Woo Ryu

    • Department of Materials Science and Engineering, Hongik University, Seoul 04066, South Korea.
    • Hongik University

  • Douglas L Abernathy

    • Oak Ridge National Laboratory

  • Daisuke Ishikawa

    • Japan Synchrotron Radiation Research Institute

  • Alfred Q R Baron

    • RIKEN SPring-8 Center

  • Takeshi Egami

    • Department of Physics, and Materials Science and Engineering, The University of Tennessee, Knoxville, USA.
    • University of Tennessee