With substantial progresses in reinforcement mechanism of nanoparticle filled polymers
(NPFPs) beyond the hydrodynamic limit, now is the time to reconsider this topic …

Metropolis Monte Carlo has been employed with remarkable success over the years to
simulate the dense phases of polymer systems. Owing, in particular, to the freedom it …

The terminal structures of cis-1, 4-polyisoprene (PI) chains play a vital role in the excellent
comprehensive performance of Hevea natural rubber (NR) with properties such as high …

Multiscale modeling of polymers exchanges information between coarse and fine
representations of molecules to capture material properties over a wide range of spatial and …

A hierarchical (triple scale) simulation methodology is presented for the prediction of the
dynamical and rheological properties of high molecular-weight entangled polymer melts …

To characterize the nature of the interface between styrene-butadiene rubber (SBR) and
carbon black (CB) in a filled rubber compound, we introduce an extraction protocol that uses …

Natural rubber (NR), containing nonrubber constituents such as proteins, exhibits
exceptional characteristics including high toughness, tear resistance, and wet skid …

Hevea natural rubber (NR) consists of 99% cis-polyisoprene with dimethyl allyl-(trans-1, 4-
isoprene) 2 (ω) and α terminal groups. These terminal groups provide excellent mechanical …

The purpose of this study is to investigate-at nanoscale-cis-Polyisoprene (cis-PI), the main
component of natural rubber. This system is vulcanized by adding elemental sulfur to cis-PI …

Following the substantial progress in molecular simulations of polymer-matrix
nanocomposites, now is the time to reconsider this topic from a critical point of view. A …