Literature DB >> 33495319

Universal law for the vibrational density of states of liquids.

Alessio Zaccone1,2,3, Matteo Baggioli4,5,6.   

Abstract

An analytical derivation of the vibrational density of states (DOS) of liquids, and, in particular, of its characteristic linear in frequency low-energy regime, has always been elusive because of the presence of an infinite set of purely imaginary modes-the instantaneous normal modes (INMs). By combining an analytic continuation of the Plemelj identity to the complex plane with the overdamped dynamics of the INMs, we derive a closed-form analytic expression for the low-frequency DOS of liquids. The obtained result explains, from first principles, the widely observed linear in frequency term of the DOS in liquids, whose slope appears to increase with the average lifetime of the INMs. The analytic results are robustly confirmed by fitting simulations data for Lennard-Jones liquids, and they also recover the Arrhenius law for the average relaxation time of the INMs, as expected.
Copyright © 2021 the Author(s). Published by PNAS.

Entities:  

Keywords:  instantaneous normal modes; liquids; unstable states; vibrational properties

Year:  2021        PMID: 33495319      PMCID: PMC7865170          DOI: 10.1073/pnas.2022303118

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  10 in total

1.  Energy landscape of a lennard-jones liquid: statistics of stationary points.

Authors:  K Broderix; K K Bhattacharya; A Cavagna; A Zippelius; I Giardina
Journal:  Phys Rev Lett       Date:  2000-12-18       Impact factor: 9.161

2.  Instantaneous normal mode analysis of supercooled water

Authors: 
Journal:  Phys Rev Lett       Date:  2000-05-15       Impact factor: 9.161

3.  Saddles in the energy landscape: extensivity and thermodynamic formalism.

Authors:  M Scott Shell; Pablo G Debenedetti; Athanassios Z Panagiotopoulos
Journal:  Phys Rev Lett       Date:  2004-01-23       Impact factor: 9.161

4.  Phonon interpretation of the 'boson peak' in supercooled liquids.

Authors:  T S Grigera; V Martín-Mayor; G Parisi; P Verrocchio
Journal:  Nature       Date:  2003-03-20       Impact factor: 49.962

5.  Collective nature of the boson peak and universal transboson dynamics of glasses.

Authors:  A I Chumakov; I Sergueev; U van Bürck; W Schirmacher; T Asthalter; R Rüffer; O Leupold; W Petry
Journal:  Phys Rev Lett       Date:  2004-06-18       Impact factor: 9.161

6.  Parameter-free predictions of the viscoelastic response of glassy polymers from non-affine lattice dynamics.

Authors:  Vladimir V Palyulin; Christopher Ness; Rico Milkus; Robert M Elder; Timothy W Sirk; Alessio Zaccone
Journal:  Soft Matter       Date:  2018-10-31       Impact factor: 3.679

7.  Statistics and Properties of Low-Frequency Vibrational Modes in Structural Glasses.

Authors:  Edan Lerner; Gustavo Düring; Eran Bouchbinder
Journal:  Phys Rev Lett       Date:  2016-07-12       Impact factor: 9.161

8.  Dynamics, thermodynamics and structure of liquids and supercritical fluids: crossover at the Frenkel line.

Authors:  Yu D Fomin; V N Ryzhov; E N Tsiok; J E Proctor; C Prescher; V B Prakapenka; K Trachenko; V V Brazhkin
Journal:  J Phys Condens Matter       Date:  2018-02-14       Impact factor: 2.333

9.  What does the instantaneous normal mode spectrum tell us about dynamical heterogeneity in glass-forming fluids?

Authors:  Wengang Zhang; Jack F Douglas; Francis W Starr
Journal:  J Chem Phys       Date:  2019-11-14       Impact factor: 3.488

  10 in total
  3 in total

1.  The ω3 scaling of the vibrational density of states in quasi-2D nanoconfined solids.

Authors:  Yuanxi Yu; Chenxing Yang; Matteo Baggioli; Anthony E Phillips; Alessio Zaccone; Lei Zhang; Ryoichi Kajimoto; Mitsutaka Nakamura; Dehong Yu; Liang Hong
Journal:  Nat Commun       Date:  2022-06-25       Impact factor: 17.694

2.  Data-driven reaction coordinate discovery in overdamped and non-conservative systems: application to optical matter structural isomerization.

Authors:  Shiqi Chen; Curtis W Peterson; John A Parker; Stuart A Rice; Andrew L Ferguson; Norbert F Scherer
Journal:  Nat Commun       Date:  2021-05-05       Impact factor: 14.919

3.  Modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media.

Authors:  Walter Schirmacher; Taras Bryk; Giancarlo Ruocco
Journal:  Proc Natl Acad Sci U S A       Date:  2022-02-22       Impact factor: 11.205

  3 in total

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