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A Coarse-Grained Force Field for Silica–Polybutadiene Interfaces and Nanocomposites

We present a coarse-grained force field for modelling silica–polybutadiene interfaces and nanocomposites. The polymer, poly(cis-1,4-butadiene), is treated with a previously published united-atom model. Silica is treated as a rigid body, using one Si-centered superatom for each SiO [Formula: see text...

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Detalles Bibliográficos
Autores principales:	David, Alessio, Pasquini, Marta, Tartaglino, Ugo, Raos, Guido
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7407278/ https://www.ncbi.nlm.nih.gov/pubmed/32630822 http://dx.doi.org/10.3390/polym12071484

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