Correlated atomic dynamics in liquid seen in real space and time

Egami, Takeshi; Shinohara, Yuya

doi:10.1063/5.0024013

Title: Correlated atomic dynamics in liquid seen in real space and time

Journal Article · 12 November 2020 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/5.0024013 · OSTI ID:1720231

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

In liquids, the timescales for structure, diffusion, and phonon are all similar, of the order of a pico-second. This not only makes characterization of liquid dynamics difficult but also renders it highly questionable to describe liquids in these terms. In particular, the current definition of the structure of liquids by the instantaneous structure may need to be expanded because the liquid structure is inherently dynamic. Here, we advocate describing the liquid structure through the distinct-part of the Van Hove function, which can be determined by inelastic neutron and x-ray scattering measurements as well as by simulation. It depicts the dynamic correlation between atoms in space and time, starting with the instantaneous correlation function at t = 0. The observed Van Hove functions show that the atomic dynamics is strongly correlated in some liquids, such as water. The effect of atomic correlation on various transport properties of fluid, including viscosity and diffusivity, is discussed.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1720231

Alternate ID(s):: OSTI ID: 1712812

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 18 Vol. 153; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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