Hybrid Particle-Field Molecular Dynamics: A Primer

Effect of Bidispersity on Polymer-Bound Layers of Carbon Black Primary Particles: Combining Large-Scale Simulations and Experiments

“…Using models described and validated in ref , the interfaces between CB as well as planar graphite (GR) and bidisperse PE, are investigated to characterize the PBL and the role of the primary particle curvature and of its surface disorder on the polymer/particle interaction mechanism. A full description of the hPF-MD method can be found in refs ,, , while a short overview is provided in the next section along with the mapping of atoms into CG beads. The list of simulated systems is reported in Table .…”