This review concerns modeling studies of the fundamental problem of entangled
(reptational) homopolymer diffusion in melts and nanocomposite materials in comparison to …

Three-dimensional (3D) printing is rapidly becoming an effective means of prototyping and
creating custom consumer goods. The most common method for printing a polymer melt is …

Atomistic simulations of alkanes and polyethylenes have grown in utility and application
over a 50-year period beginning at the earliest days of molecular dynamics research. This …

Steady-state shear viscosity η (γ̇) of unconcatenated ring polymer melts as a function of the
shear rate γ̇ is studied by a combination of experiments, simulations, and theory …

We investigate the nonlinear shear and uniaxial extensional rheology of entangled
polystyrene (PS) melts and solutions having the same number Z of entanglements, hence …

Covalent adaptable networks (CANs) can be classified into dissociative (Diss-CANs) and
associative (Asso-CANs) networks according to the exchange mechanism of covalent …

We report on recent progress in our understanding of the rheological behavior of polymer
melts, resulting from the work of several investigators, mostly on fast extensional flows. They …

Long molecular dynamics simulations of the melt dynamics, glass transition and
nonisothermal crystallization of a C192 polyethylene model have been carried out. In this …

Atomistic simulations have been very useful for predicting the viscoelastic properties of
polymers but face great difficulties in accessing the dynamics of dense, well entangled long …

The startup and steady shear flow properties of an entangled, monodisperse polyethylene
liquid (C1000H2002) were investigated via virtual experimentation using nonequilibrium …