TY - JOUR
T1 - Real-space local self-motion of protonated and deuterated water
AU - Shinohara, Yuya
AU - Iwashita, Takuya
AU - Nakanishi, Masahiro
AU - Dmowski, Wojciech
AU - Ryu, Chae Woo
AU - Abernathy, Douglas L.
AU - Ishikawa, Daisuke
AU - Baron, Alfred Q.R.
AU - Egami, Takeshi
N1 - Publisher Copyright:
© 2024 American Physical Society.
PY - 2024/6
Y1 - 2024/6
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85196061824&partnerID=8YFLogxK
U2 - 10.1103/PhysRevE.109.064608
DO - 10.1103/PhysRevE.109.064608
M3 - Article
AN - SCOPUS:85196061824
SN - 2470-0045
VL - 109
JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
IS - 6
M1 - 064608
ER -