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Configurational Entropy Relaxation of Silica Glass—Molecular Dynamics Simulations

Vitreous silica was modelled using molecular dynamics (MD). The glass structure was transferred into an undirected graph and decomposed into disjoint structural units that were ideally mixed to calculate the configurational entropy. The Debye relaxation model was suggested to simulate the evolution...

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Detalles Bibliográficos
Autor principal: Gedeon, Ondrej
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8305701/
https://www.ncbi.nlm.nih.gov/pubmed/34356426
http://dx.doi.org/10.3390/e23070885