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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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Detalhes bibliográficos
Publicado no:Entropy (Basel)
Autor principal: Gedeon, Ondrej
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8305701/
https://ncbi.nlm.nih.gov/pubmed/34356426
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/e23070885
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