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Modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media
We study the instantaneous normal mode (INM) spectrum of a simulated soft-sphere liquid at different equilibrium temperatures T. We find that the spectrum of eigenvalues [Formula: see text] has a sharp maximum near (but not at) [Formula: see text] and decreases monotonically with [Formula: see text]...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
National Academy of Sciences
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8872781/ https://www.ncbi.nlm.nih.gov/pubmed/35169078 http://dx.doi.org/10.1073/pnas.2119288119 |
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author | Schirmacher, Walter Bryk, Taras Ruocco, Giancarlo |
author_facet | Schirmacher, Walter Bryk, Taras Ruocco, Giancarlo |
author_sort | Schirmacher, Walter |
collection | PubMed |
description | We study the instantaneous normal mode (INM) spectrum of a simulated soft-sphere liquid at different equilibrium temperatures T. We find that the spectrum of eigenvalues [Formula: see text] has a sharp maximum near (but not at) [Formula: see text] and decreases monotonically with [Formula: see text] on both the stable and unstable sides of the spectrum. The spectral shape strongly depends on temperature. It is rather asymmetric at low temperatures (close to the dynamical critical temperature) and becomes symmetric at high temperatures. To explain these findings we present a mean-field theory for [Formula: see text] , which is based on a heterogeneous elasticity model, in which the local shear moduli exhibit spatial fluctuations, including negative values. We find good agreement between the simulation data and the model calculations, done with the help of the self-consistent Born approximation (SCBA), when we take the variance of the fluctuations to be proportional to the temperature T. More importantly, we find an empirical correlation of the positions of the maxima of [Formula: see text] with the low-frequency exponent of the density of the vibrational modes of the glasses obtained by quenching to [Formula: see text] from the temperature T. We discuss the present findings in connection to the liquid to glass transformation and its precursor phenomena. |
format | Online Article Text |
id | pubmed-8872781 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | National Academy of Sciences |
record_format | MEDLINE/PubMed |
spelling | pubmed-88727812022-02-25 Modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media Schirmacher, Walter Bryk, Taras Ruocco, Giancarlo Proc Natl Acad Sci U S A Physical Sciences We study the instantaneous normal mode (INM) spectrum of a simulated soft-sphere liquid at different equilibrium temperatures T. We find that the spectrum of eigenvalues [Formula: see text] has a sharp maximum near (but not at) [Formula: see text] and decreases monotonically with [Formula: see text] on both the stable and unstable sides of the spectrum. The spectral shape strongly depends on temperature. It is rather asymmetric at low temperatures (close to the dynamical critical temperature) and becomes symmetric at high temperatures. To explain these findings we present a mean-field theory for [Formula: see text] , which is based on a heterogeneous elasticity model, in which the local shear moduli exhibit spatial fluctuations, including negative values. We find good agreement between the simulation data and the model calculations, done with the help of the self-consistent Born approximation (SCBA), when we take the variance of the fluctuations to be proportional to the temperature T. More importantly, we find an empirical correlation of the positions of the maxima of [Formula: see text] with the low-frequency exponent of the density of the vibrational modes of the glasses obtained by quenching to [Formula: see text] from the temperature T. We discuss the present findings in connection to the liquid to glass transformation and its precursor phenomena. National Academy of Sciences 2022-02-15 2022-02-22 /pmc/articles/PMC8872781/ /pubmed/35169078 http://dx.doi.org/10.1073/pnas.2119288119 Text en Copyright © 2022 the Author(s). Published by PNAS. https://creativecommons.org/licenses/by-nc-nd/4.0/This open access article is distributed under Creative Commons Attribution-NonCommercial-NoDerivatives License 4.0 (CC BY-NC-ND) (https://creativecommons.org/licenses/by-nc-nd/4.0/) . |
spellingShingle | Physical Sciences Schirmacher, Walter Bryk, Taras Ruocco, Giancarlo Modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media |
title | Modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media |
title_full | Modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media |
title_fullStr | Modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media |
title_full_unstemmed | Modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media |
title_short | Modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media |
title_sort | modeling the instantaneous normal mode spectra of liquids as that of unstable elastic media |
topic | Physical Sciences |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8872781/ https://www.ncbi.nlm.nih.gov/pubmed/35169078 http://dx.doi.org/10.1073/pnas.2119288119 |
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