The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …

A predictive multiscale computational framework has been proposed to study the
viscoelastic properties of polymeric materials. Using the Inverse Boltzmann Method, both the …

Addition of nanoparticles into a polymer matrix can significantly alter its structure, dynamics
as well as viscosity. In this paper, we study the structural, dynamical and viscous behaviors …

Using a benchtop NMR spectrometer, we performed proton multiple-quantum NMR
experiments to study the dynamics of well-entangled linear poly (butadiene), poly …

A recently proposed hierarchical triple-scale simulation methodology (Behbahani et al.,
Macromolecules, 2021, 54, 2740–2762) is applied to cis-1, 4 polyisoprene melts of a broad …

In this paper, the polymer chain packing and primitive path (PP) network of uncrosslinked
and crosslinked cis-polyisoprene (PI) polymer are analyzed upon employing coarse-grained …

Our experimental data unambiguously show (i) a damping behavior (the appearance of an
undershoot following the overshoot) in the transient shear viscosity of a concentrated …

We present a method to map the full equilibrium distribution of the primitive-path (PP) length,
obtained from multi-chain simulations of polymer melts, onto a single-chain mean …

We present atomistic molecular dynamics simulations of two Polyethylene systems where all
entanglements are trapped: a perfect network, and a melt with grafted chain ends. We …

Based on the Generalized bracket, or Beris–Edwards, formalism of non-equilibrium
thermodynamics, we recently proposed a new differential constitutive model for the …