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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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| Publicado no: | Polymers (Basel) |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7407278/ https://ncbi.nlm.nih.gov/pubmed/32630822 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/polym12071484 |
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