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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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Detalles Bibliográficos
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
Descripción
Sumario: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.