Local self-motion of water through the Van Hove function

Yuya Shinohara; Wojciech Dmowski; Takuya Iwashita; Daisuke Ishikawa; Alfred Q.R. Baron; Takeshi Egami

doi:10.1103/PhysRevE.102.032604

Local self-motion of water through the Van Hove function

Yuya Shinohara, Wojciech Dmowski, Takuya Iwashita, Daisuke Ishikawa, Alfred Q.R. Baron, Takeshi Egami

Neutron & X-Ray Scattering, & Thermophys

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

We show that the self-part of the Van Hove function - the correlation function describing the dynamics of a single molecule - of water can be determined through a high-resolution inelastic x-ray scattering experiment. The measurement of inelastic x-ray scattering up to 10Å-1 makes it possible to convert the inelastic x-ray scattering spectra into the Van Hove function, and its self-part is extracted from the short-range correlations. The diffusivity estimated from the short-range dynamics of water molecules is different from the long-range diffusivity measured by other methods. This approach using the experimentally determined self-part of the Van Hove function will be useful to the study of the local dynamics of atoms and molecules in liquids.

Original language	English
Article number	032604
Journal	Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume	102
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevE.102.032604
State	Published - Sep 2020

Funding

The IXS work was supported by the U. S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Materials and Science and Engineering Division. The IXS experiments at BL43LXU, SPring-8 were carried out under the approval of RIKEN (Proposals No. 20170075 and No. 20180069).

Funders	Funder number
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Division of Materials Sciences and Engineering
RIKEN	20170075, 20180069

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10.1103/PhysRevE.102.032604

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title = "Local self-motion of water through the Van Hove function",

abstract = "We show that the self-part of the Van Hove function - the correlation function describing the dynamics of a single molecule - of water can be determined through a high-resolution inelastic x-ray scattering experiment. The measurement of inelastic x-ray scattering up to 10{\AA}-1 makes it possible to convert the inelastic x-ray scattering spectra into the Van Hove function, and its self-part is extracted from the short-range correlations. The diffusivity estimated from the short-range dynamics of water molecules is different from the long-range diffusivity measured by other methods. This approach using the experimentally determined self-part of the Van Hove function will be useful to the study of the local dynamics of atoms and molecules in liquids.",

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AU - Shinohara, Yuya

AU - Dmowski, Wojciech

AU - Iwashita, Takuya

AU - Ishikawa, Daisuke

AU - Baron, Alfred Q.R.

AU - Egami, Takeshi

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AB - We show that the self-part of the Van Hove function - the correlation function describing the dynamics of a single molecule - of water can be determined through a high-resolution inelastic x-ray scattering experiment. The measurement of inelastic x-ray scattering up to 10Å-1 makes it possible to convert the inelastic x-ray scattering spectra into the Van Hove function, and its self-part is extracted from the short-range correlations. The diffusivity estimated from the short-range dynamics of water molecules is different from the long-range diffusivity measured by other methods. This approach using the experimentally determined self-part of the Van Hove function will be useful to the study of the local dynamics of atoms and molecules in liquids.

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Local self-motion of water through the Van Hove function

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