A Coarse-Grained Force Field for Silica–Polybutadiene Interfaces and Nanocomposites
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DOI: 10.3390/polym12071484
Abstract: 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… read more here.
Keywords: force field; interfaces nanocomposites; polybutadiene interfaces; coarse grained ... See more keywords