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

Yuya Shinohara, Takuya Iwashita, Masahiro Nakanishi, Wojciech Dmowski, Chae Woo Ryu, Douglas L. Abernathy, Daisuke Ishikawa, Alfred Q.R. Baron, Takeshi Egami

Research output: Contribution to journalArticlepeer-review

Abstract

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

Original languageEnglish
Article number064608
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume109
Issue number6
DOIs
StatePublished - Jun 2024

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