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Efficient Hybrid Particle-Field Coarse-Grained Model of Polymer Filler Interactions: Multiscale Hierarchical Structure of Carbon Black Particles in Contact with Polyethylene

[Image: see text] In the present study, we propose, validate, and give first applications for large-scale systems of coarse-grained models suitable for filler/polymer interfaces based on carbon black (CB) and polyethylene (PE). The computational efficiency of the proposed approach, based on hybrid p...

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Detalles Bibliográficos
Autores principales:	Caputo, Stefano, Hristov, Velichko, Nicola, Antonio De, Herbst, Harald, Pizzirusso, Antonio, Donati, Greta, Munaò, Gianmarco, Albunia, Alexandra Romina, Milano, Giuseppe
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8023654/ https://www.ncbi.nlm.nih.gov/pubmed/33577311 http://dx.doi.org/10.1021/acs.jctc.0c01095

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