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Enhanced vibrational stability in glass droplets

We show through simulations of amorphous solids prepared in open-boundary conditions that they possess significantly fewer low-frequency vibrational modes compared to their periodic boundary counterparts. Specifically, using measurements of the vibrational density of states, we find that the [Formul...

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Autores principales: Chakraborty, Surajit, Krishnan, Vishnu V, Ramola, Kabir, Karmakar, Smarajit
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10516527/
https://www.ncbi.nlm.nih.gov/pubmed/37746327
http://dx.doi.org/10.1093/pnasnexus/pgad289
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author Chakraborty, Surajit
Krishnan, Vishnu V
Ramola, Kabir
Karmakar, Smarajit
author_facet Chakraborty, Surajit
Krishnan, Vishnu V
Ramola, Kabir
Karmakar, Smarajit
author_sort Chakraborty, Surajit
collection PubMed
description We show through simulations of amorphous solids prepared in open-boundary conditions that they possess significantly fewer low-frequency vibrational modes compared to their periodic boundary counterparts. Specifically, using measurements of the vibrational density of states, we find that the [Formula: see text] law changes to [Formula: see text] with [Formula: see text] in two dimensions and [Formula: see text] in three dimensions. Crucially, this enhanced stability is achieved when utilizing slow annealing protocols to generate solid configurations. We perform an anharmonic analysis of the minima corresponding to the lowest frequency modes in such open-boundary systems and discuss their correlation with the density of states. A study of various system sizes further reveals that small systems display a higher degree of localization in vibrations. Lastly, we confine open-boundary solids in order to introduce macroscopic stresses in the system, which are absent in the unconfined system and find that the [Formula: see text] behavior is recovered.
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spelling pubmed-105165272023-09-23 Enhanced vibrational stability in glass droplets Chakraborty, Surajit Krishnan, Vishnu V Ramola, Kabir Karmakar, Smarajit PNAS Nexus Physical Sciences and Engineering We show through simulations of amorphous solids prepared in open-boundary conditions that they possess significantly fewer low-frequency vibrational modes compared to their periodic boundary counterparts. Specifically, using measurements of the vibrational density of states, we find that the [Formula: see text] law changes to [Formula: see text] with [Formula: see text] in two dimensions and [Formula: see text] in three dimensions. Crucially, this enhanced stability is achieved when utilizing slow annealing protocols to generate solid configurations. We perform an anharmonic analysis of the minima corresponding to the lowest frequency modes in such open-boundary systems and discuss their correlation with the density of states. A study of various system sizes further reveals that small systems display a higher degree of localization in vibrations. Lastly, we confine open-boundary solids in order to introduce macroscopic stresses in the system, which are absent in the unconfined system and find that the [Formula: see text] behavior is recovered. Oxford University Press 2023-09-05 /pmc/articles/PMC10516527/ /pubmed/37746327 http://dx.doi.org/10.1093/pnasnexus/pgad289 Text en © The Author(s) 2023. Published by Oxford University Press on behalf of National Academy of Sciences. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Physical Sciences and Engineering
Chakraborty, Surajit
Krishnan, Vishnu V
Ramola, Kabir
Karmakar, Smarajit
Enhanced vibrational stability in glass droplets
title Enhanced vibrational stability in glass droplets
title_full Enhanced vibrational stability in glass droplets
title_fullStr Enhanced vibrational stability in glass droplets
title_full_unstemmed Enhanced vibrational stability in glass droplets
title_short Enhanced vibrational stability in glass droplets
title_sort enhanced vibrational stability in glass droplets
topic Physical Sciences and Engineering
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10516527/
https://www.ncbi.nlm.nih.gov/pubmed/37746327
http://dx.doi.org/10.1093/pnasnexus/pgad289
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