Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Thermally triggered phononic gaps in liquids at THz scale

Abstract

In this study we present inelastic X-ray scattering experiments in a diamond anvil cell and molecular dynamic simulations to investigate the behavior of phononic excitations in liquid Ar. The spectra calculated using molecular dynamics were found to be in a good agreement with the experimental data. Furthermore, we observe that, upon temperature increases, a low-frequency transverse phononic gap emerges while high-frequency propagating modes become evanescent at the THz scale. The effect of strong localization of a longitudinal phononic mode in the supercritical phase is observed for the first time. The evidence for the high-frequency transverse phononic gap due to the transition from an oscillatory to a ballistic dynamic regimes of motion is presented and supported by molecular dynamics simulations. This transition takes place across the Frenkel line thermodynamic limit which demarcates compressed liquid and non-compressed fluid domains on the phase diagram and is supported by calculations within the Green-Kubo phenomenological formalism. These results are crucial to advance the development of novel terahertz thermal devices, phononic lenses, mirrors, and other THz metamaterials.

Authors:
 [1];  [1];  [2];  [3];  [1];  [1]
+ Show Author Affiliations
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Volgograd State Technical Univ., Volgograd (Russia)
  3. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1240873
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 6; Journal Issue: 108; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; acoustics; structure of solids and liquids; thermodynamics

Citation Formats

Bolmatov, Dima, Zhernenkov, Mikhail, Zavyalov, Dmitry, Stoupin, Stanislav, Cunsolo, Alessandro, and Cai, Yong Q. Thermally triggered phononic gaps in liquids at THz scale. United States: N. p., 2016. Web. doi:10.1038/srep19469.
Copy to clipboard
Bolmatov, Dima, Zhernenkov, Mikhail, Zavyalov, Dmitry, Stoupin, Stanislav, Cunsolo, Alessandro, & Cai, Yong Q. Thermally triggered phononic gaps in liquids at THz scale. United States. https://doi.org/10.1038/srep19469
Copy to clipboard
Bolmatov, Dima, Zhernenkov, Mikhail, Zavyalov, Dmitry, Stoupin, Stanislav, Cunsolo, Alessandro, and Cai, Yong Q. Thu . "Thermally triggered phononic gaps in liquids at THz scale". United States. https://doi.org/10.1038/srep19469. https://www.osti.gov/servlets/purl/1240873.
Copy to clipboard
@article{osti_1240873,
title = {Thermally triggered phononic gaps in liquids at THz scale},
author = {Bolmatov, Dima and Zhernenkov, Mikhail and Zavyalov, Dmitry and Stoupin, Stanislav and Cunsolo, Alessandro and Cai, Yong Q.},
abstractNote = {In this study we present inelastic X-ray scattering experiments in a diamond anvil cell and molecular dynamic simulations to investigate the behavior of phononic excitations in liquid Ar. The spectra calculated using molecular dynamics were found to be in a good agreement with the experimental data. Furthermore, we observe that, upon temperature increases, a low-frequency transverse phononic gap emerges while high-frequency propagating modes become evanescent at the THz scale. The effect of strong localization of a longitudinal phononic mode in the supercritical phase is observed for the first time. The evidence for the high-frequency transverse phononic gap due to the transition from an oscillatory to a ballistic dynamic regimes of motion is presented and supported by molecular dynamics simulations. This transition takes place across the Frenkel line thermodynamic limit which demarcates compressed liquid and non-compressed fluid domains on the phase diagram and is supported by calculations within the Green-Kubo phenomenological formalism. These results are crucial to advance the development of novel terahertz thermal devices, phononic lenses, mirrors, and other THz metamaterials.},
doi = {10.1038/srep19469},
journal = {Scientific Reports},
number = 108,
volume = 6,
place = {United States},
year = {Thu Jan 14 00:00:00 EST 2016},
month = {Thu Jan 14 00:00:00 EST 2016}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1038/srep19469
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 26 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Collective excitations in liquid water at low frequency and large wave vector
journal, November 1991

  • Sastry, Srikanth; Sciortino, Francesco; Stanley, H. Eugene
  • The Journal of Chemical Physics, Vol. 95, Issue 10
  • DOI: 10.1063/1.461354

Unified phonon-based approach to the thermodynamics of solid, liquid and gas states
journal, December 2015

Revealing the Mechanism of the Viscous-to-Elastic Crossover in Liquids
journal, July 2015

  • Bolmatov, Dima; Zhernenkov, Mikhail; Zav’yalov, Dmitry
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 15
  • DOI: 10.1021/acs.jpclett.5b01338

Sound and heat revolutions in phononics
journal, November 2013

Engineering particle trajectories in microfluidic flows using particle shape
journal, November 2013

  • Uspal, William E.; Burak Eral, H.; Doyle, Patrick S.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms3666

Tuning and Switching the Hypersonic Phononic Properties of Elastic Impedance Contrast Nanocomposites
journal, May 2010

  • Sato, Akihiro; Pennec, Yan; Shingne, Nitin
  • ACS Nano, Vol. 4, Issue 6
  • DOI: 10.1021/nn100519h

A new class of tunable hypersonic phononic crystals based on polymer-tethered colloids
journal, September 2015

  • Alonso-Redondo, E.; Schmitt, M.; Urbach, Z.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms9309

Markoff Random Processes and the Statistical Mechanics of Time‐Dependent Phenomena. II. Irreversible Processes in Fluids
journal, March 1954

  • Green, Melville S.
  • The Journal of Chemical Physics, Vol. 22, Issue 3
  • DOI: 10.1063/1.1740082

Symmetry breaking gives rise to energy spectra of three states of matter
journal, September 2013

  • Bolmatov, Dima; Musaev, Edvard T.; Trachenko, K.
  • Scientific Reports, Vol. 3, Issue 1
  • DOI: 10.1038/srep02794

The phonon theory of liquid thermodynamics
journal, May 2012

  • Bolmatov, D.; Brazhkin, V. V.; Trachenko, K.
  • Scientific Reports, Vol. 2, Issue 1
  • DOI: 10.1038/srep00421

Helium at elevated pressures: Quantum liquid with non-static shear rigidity
journal, March 2013

  • Bolmatov, D.; Brazhkin, V. V.; Trachenko, K.
  • Journal of Applied Physics, Vol. 113, Issue 10
  • DOI: 10.1063/1.4795340

Liquid heat capacity in the approach from the solid state: Anharmonic theory
journal, August 2011

Thermodynamic behaviour of supercritical matter
journal, August 2013

  • Bolmatov, Dima; Brazhkin, V. V.; Trachenko, K.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms3331

The Frenkel Line: a direct experimental evidence for the new thermodynamic boundary
journal, November 2015

  • Bolmatov, Dima; Zhernenkov, Mikhail; Zav’yalov, Dmitry
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep15850

Fingerprints of order and disorder on the high-frequency dynamics of liquids
journal, December 2010

  • Giordano, V. M.; Monaco, G.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 51
  • DOI: 10.1073/pnas.1006319107

Evidence for structural crossover in the supercritical state
journal, December 2013

  • Bolmatov, Dima; Brazhkin, V. V.; Fomin, Yu. D.
  • The Journal of Chemical Physics, Vol. 139, Issue 23
  • DOI: 10.1063/1.4844135

Structural Evolution of Supercritical CO 2 across the Frenkel Line
journal, August 2014

  • Bolmatov, Dima; Zav’yalov, D.; Gao, M.
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 16
  • DOI: 10.1021/jz5012127

Exposing a dynamical signature of the freezing transition through the sound propagation gap
journal, November 2014

  • Martinez, V. A.; Zaccarelli, E.; Sanz, E.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms6503

Widom line and dynamical crossovers as routes to understand supercritical water
journal, December 2014

  • Gallo, P.; Corradini, D.; Rovere, M.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms6806

Superlattices assembled through shape-induced directional binding
journal, April 2015

  • Lu, Fang; Yager, Kevin G.; Zhang, Yugang
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7912

BX90: A new diamond anvil cell design for X-ray diffraction and optical measurements
journal, December 2012

  • Kantor, I.; Prakapenka, V.; Kantor, A.
  • Review of Scientific Instruments, Vol. 83, Issue 12, Article No. 125102
  • DOI: 10.1063/1.4768541

The COMPRES/GSECARS gas-loading system for diamond anvil cells at the Advanced Photon Source
journal, September 2008

Temperature-induced ruby fluorescence shifts up to a pressure of 15 GPa in an externally heated diamond anvil cell
journal, January 1999

  • Rekhi, Sandeep; Dubrovinsky, Leonid; Saxena, Surendra
  • High Temperatures-High Pressures, Vol. 31, Issue 3
  • DOI: 10.1068/htrt161

Liquid heat capacity in the approach from the solid state: anharmonic theory
text, January 2011

The phonon theory of liquid thermodynamics
text, January 2012

The Frenkel Line: a direct experimental evidence for the new thermodynamic boundary
text, January 2015

Unified phonon-based approach to the thermodynamics of solid, liquid and gas states
text, January 2015

Tuning and Switching the Hypersonic Phononic Properties of Elastic Impedance Contrast Nanocomposites
journal, May 2010

  • Sato, Akihiro; Pennec, Yan; Shingne, Nitin
  • ACS Nano, Vol. 4, Issue 6
  • DOI: 10.1021/nn100519h

Sound and heat revolutions in phononics
journal, November 2013

Engineering particle trajectories in microfluidic flows using particle shape
journal, November 2013

  • Uspal, William E.; Burak Eral, H.; Doyle, Patrick S.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms3666

Widom line and dynamical crossovers as routes to understand supercritical water
journal, December 2014

  • Gallo, P.; Corradini, D.; Rovere, M.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms6806

Symmetry breaking gives rise to energy spectra of three states of matter
journal, September 2013

  • Bolmatov, Dima; Musaev, Edvard T.; Trachenko, K.
  • Scientific Reports, Vol. 3, Issue 1
  • DOI: 10.1038/srep02794

The Frenkel Line: a direct experimental evidence for the new thermodynamic boundary
journal, November 2015

  • Bolmatov, Dima; Zhernenkov, Mikhail; Zav’yalov, Dmitry
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep15850

Collective excitations in liquid water at low frequency and large wave vector
journal, November 1991

  • Sastry, Srikanth; Sciortino, Francesco; Stanley, H. Eugene
  • The Journal of Chemical Physics, Vol. 95, Issue 10
  • DOI: 10.1063/1.461354

BX90: A new diamond anvil cell design for X-ray diffraction and optical measurements
journal, December 2012

  • Kantor, I.; Prakapenka, V.; Kantor, A.
  • Review of Scientific Instruments, Vol. 83, Issue 12, Article No. 125102
  • DOI: 10.1063/1.4768541

Evidence for structural crossover in the supercritical state
journal, December 2013

  • Bolmatov, Dima; Brazhkin, V. V.; Fomin, Yu. D.
  • The Journal of Chemical Physics, Vol. 139, Issue 23
  • DOI: 10.1063/1.4844135

Temperature-induced ruby fluorescence shifts up to a pressure of 15 GPa in an externally heated diamond anvil cell
journal, January 1999

  • Rekhi, Sandeep; Dubrovinsky, Leonid; Saxena, Surendra
  • High Temperatures-High Pressures, Vol. 31, Issue 3
  • DOI: 10.1068/htrt161

Structural changes in supercritical fluids at high pressures
journal, June 2008

Collective Hypersonic Excitations in Strongly Multiple Scattering Colloids
journal, April 2011

Defect-Controlled Hypersound Propagation in Hybrid Superlattices
journal, October 2013

Topological Acoustics
journal, March 2015

Helium at elevated pressures: Quantum liquid with non-static shear rigidity
text, January 2013

    Sort by:
    [ × clear filter / sort ]

    Works referencing / citing this record:

    Continuum mechanics and thermodynamics in the Hamilton and the Godunov-type formulations
    journal, January 2018

    • Peshkov, Ilya; Pavelka, Michal; Romenski, Evgeniy
    • Continuum Mechanics and Thermodynamics, Vol. 30, Issue 6
    • DOI: 10.1007/s00161-018-0621-2

    Continuum mechanics with torsion
    journal, April 2019

    • Peshkov, Ilya; Romenski, Evgeniy; Dumbser, Michael
    • Continuum Mechanics and Thermodynamics, Vol. 31, Issue 5
    • DOI: 10.1007/s00161-019-00770-6

    Revealing the mechanism of passive transport in lipid bilayers via phonon-mediated nanometre-scale density fluctuations
    journal, May 2016

    • Zhernenkov, Mikhail; Bolmatov, Dima; Soloviov, Dmitry
    • Nature Communications, Vol. 7, Issue 1
    • DOI: 10.1038/ncomms11575

    Emergence and Evolution of the k Gap in Spectra of Liquid and Supercritical States
    journal, May 2017

    Continuum mechanics with torsion
    text, January 2018

      Sort by:
      [ × clear filter / sort ]

      Similar Records in DOE PAGES and OSTI.GOV collections: