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

Shinohara, Yuya; Iwashita, Takuya; Nakanishi, Masahiro; Dmowski, Wojciech; Ryu, Chae Woo; Abernathy, Douglas L; Ishikawa, Daisuke; Baron, Alfred Q R et al. · Phys Rev E · 2024

basic_science · Level V

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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.