DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Real-Space Description of Dynamics of Liquids

Abstract

In strongly disordered matter, such as liquids and glasses, atomic and magnetic excitations are heavily damped and partially localized by disorder. Thus, the conventional descriptions in terms of phonons and magnons are inadequate, and we have to consider spatially correlated atomic and spin dynamics in real-space and time. Experimentally this means that the usual representation of dynamics in terms of the dynamic structure factor, S(Q, E), where Q and E are the momentum and energy exchanges in scattering, is insufficient. Here, we propose a real-space description in terms of the dynamic pair-density function (DyPDF) and the Van Hove function (VHF) as an alternative, and discuss recent results on superfluid 4He by inelastic neutron scattering and water by inelastic X-ray scattering. Today much of the objects of research in condensed-matter physics and materials science are highly complex materials. To characterize the dynamics of such complex materials, the real-space approach is likely to become the mainstream method of research.

Authors:
ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Shull-Wollan Center, Joint-Inst. for Neutron Sciences; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1482439
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Quantum Beam Science
Additional Journal Information:
Journal Volume: 2; Journal Issue: 4; Journal ID: ISSN 2412-382X
Country of Publication:
United States
Language:
English
Subject:
liquids; inelastic scattering; real-space dynamics; Van Hove function

Citation Formats

Egami, Takeshi. Real-Space Description of Dynamics of Liquids. United States: N. p., 2018. Web. doi:10.3390/qubs2040022.
Egami, Takeshi. Real-Space Description of Dynamics of Liquids. United States. https://doi.org/10.3390/qubs2040022
Egami, Takeshi. Sun . "Real-Space Description of Dynamics of Liquids". United States. https://doi.org/10.3390/qubs2040022. https://www.osti.gov/servlets/purl/1482439.
@article{osti_1482439,
title = {Real-Space Description of Dynamics of Liquids},
author = {Egami, Takeshi},
abstractNote = {In strongly disordered matter, such as liquids and glasses, atomic and magnetic excitations are heavily damped and partially localized by disorder. Thus, the conventional descriptions in terms of phonons and magnons are inadequate, and we have to consider spatially correlated atomic and spin dynamics in real-space and time. Experimentally this means that the usual representation of dynamics in terms of the dynamic structure factor, S(Q, E), where Q and E are the momentum and energy exchanges in scattering, is insufficient. Here, we propose a real-space description in terms of the dynamic pair-density function (DyPDF) and the Van Hove function (VHF) as an alternative, and discuss recent results on superfluid 4He by inelastic neutron scattering and water by inelastic X-ray scattering. Today much of the objects of research in condensed-matter physics and materials science are highly complex materials. To characterize the dynamics of such complex materials, the real-space approach is likely to become the mainstream method of research.},
doi = {10.3390/qubs2040022},
journal = {Quantum Beam Science},
number = 4,
volume = 2,
place = {United States},
year = {Sun Oct 28 00:00:00 EDT 2018},
month = {Sun Oct 28 00:00:00 EDT 2018}
}

Works referenced in this record:

Time-dependent, four-point density correlation function description of dynamical heterogeneity and decoupling in supercooled liquids
journal, January 2000

  • Glotzer, Sharon C.; Novikov, Vladimir N.; Schrøder, Thomas B.
  • The Journal of Chemical Physics, Vol. 112, Issue 2
  • DOI: 10.1063/1.480541

The λ-Phenomenon of Liquid Helium and the Bose-Einstein Degeneracy
journal, April 1938


A Geometrical Approach to the Structure Of Liquids
journal, January 1959


Inelastic X-ray scattering and the high-frequency dynamics of disordered systems
journal, June 2002


Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments
journal, November 2014

  • Arnold, O.; Bilheux, J. C.; Borreguero, J. M.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764
  • DOI: 10.1016/j.nima.2014.07.029

Neutron Spin Echo Study of Dynamic Correlations Near Liquid-Glass Transition
journal, January 1987


The Spallation Neutron Source in Oak Ridge: A powerful tool for materials research
journal, November 2006


The origin of viscosity as seen through atomic level stress correlation function
journal, January 2013

  • Levashov, V. A.; Morris, J. R.; Egami, T.
  • The Journal of Chemical Physics, Vol. 138, Issue 4
  • DOI: 10.1063/1.4789306

A dynamic correlation function for amorphous solids
journal, November 1992

  • Hannon, Alex C.; Arai, Masatoshi; Sinclair, Roger N.
  • Journal of Non-Crystalline Solids, Vol. 150, Issue 1-3
  • DOI: 10.1016/0022-3093(92)90129-8

Neutron-diffraction study of the static structure factor and pair correlations in liquid He 4
journal, April 1980


Condensate, momentum distribution, and final-state effects in liquid 4 He
journal, December 2000


Coherent neutron scattering and collective dynamics on mesoscale
journal, April 2013

  • Novikov, V. N.; Schweizer, K. S.; Sokolov, A. P.
  • The Journal of Chemical Physics, Vol. 138, Issue 16
  • DOI: 10.1063/1.4802771

Van Hove correlation functions from coherent neutron inelastic scattering
journal, September 1989

  • Dahlborg, U.; Gudowski, W.; Davidovic, M.
  • Journal of Physics: Condensed Matter, Vol. 1, Issue 35
  • DOI: 10.1088/0953-8984/1/35/016

Stringlike Cooperative Motion in a Supercooled Liquid
journal, March 1998


Local structural fluctuations in amorphous and liquid metals: a simple theory of the glass transition
journal, October 1982


Stabilization of Polar Nanoregions in Pb-free Ferroelectrics
journal, May 2018


Anomaly of structural relaxation in complex liquid metal of bismuth - Dynamic correlation function of coherent quasi-elastic neutron scattering
journal, December 2018


Observation of dynamic atom-atom correlation in liquid helium in real space
journal, May 2017

  • Dmowski, W.; Diallo, S. O.; Lokshin, K.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15294

Hydration Dynamics at Femtosecond Time Scales and Angstrom Length Scales from Inelastic X-Ray Scattering
journal, December 2009


Dynamic correlation function studies of the medium-range order in materials
journal, December 1995


Viscosity of Liquid Helium below the λ-Point
journal, January 1938


Inelastic neutron scattering from amorphous solids. II. Interpretation of measurements
journal, September 1975


Revealing the fast atomic motion of network glasses
journal, May 2014

  • Ruta, B.; Baldi, G.; Chushkin, Y.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms4939

Dynamic structure factor of liquid He 4 across the normal-superfluid transition
journal, March 2016


Atomic Theory of Liquid Helium Near Absolute Zero
journal, September 1953


Structural defects in amorphous solids A computer simulation study
journal, June 1980


Theory of the Superfluidity of Helium II
journal, August 1941


Seeing real-space dynamics of liquid water through inelastic x-ray scattering
journal, December 2017


Structural relaxation, viscosity, and network connectivity in a hydrogen bonding liquid
journal, January 2017

  • Perticaroli, Stefania; Mostofian, Barmak; Ehlers, Georg
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 38
  • DOI: 10.1039/C7CP04013J

High-intensity double-pulse X-ray free-electron laser
journal, March 2015

  • Marinelli, A.; Ratner, D.; Lutman, A. A.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7369

Imaging Density Disturbances in Water with a 41.3-Attosecond Time Resolution
journal, June 2004


A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS
journal, August 2011

  • Mamontov, E.; Herwig, K. W.
  • Review of Scientific Instruments, Vol. 82, Issue 8
  • DOI: 10.1063/1.3626214

Predicting the Long-Time Dynamic Heterogeneity in a Supercooled Liquid on the Basis of Short-Time Heterogeneities
journal, May 2006


Local structural fluctuations in amorphous and liquid metals: a simple theory of the glass transition
journal, April 1983


Stabilization of Polar Nano Regions in Pb-free ferroelectrics
text, January 2017


Imaging density disturbances in water with 41.3 attosecond time resolution
text, January 2003