Related papers: Mechanical Degradation of Unentangled Polymer Melt…
We examine the thermally-induced fracture of an unstrained polymer chain of discrete segments coupled by an anharmonic potential by means of Molecular Dynamics simulation with a Langevin thermostat. Cases of both under- and over-damped…
Nonlinear extensional flows are common in polymer processing but remain challenging theoretically because dramatic stretching of chains deforms the entanglement network far from equilibrium. Here, we present coarse-grained simulations of…
We investigated the elongational flows of the weakly entangled linear polymer melt using a coarse-grained molecular dynamics simulation. We extended the uniform extensional flow (UEF) method developed by Nicholson and Rutledge (D. A.…
We present molecular dynamics computer simulations of filaments of model non-Newtonian liquid stretched in a uniaxial deformation to the point of breaking. The liquid consists of Lennard-Jones monomers bound into chains of 100 monomers by…
We investigate the effect of flow kinematics on the extensional viscosity of dilute polymer solutions by conducting dissipative particle dynamics simulations under uniaxial, planar, and biaxial extensional flows. At high extension rates,…
The nonequilibrium dynamical behavior and structure formation of end-functionalized semiflexible polymer suspensions under flow are investigated by mesoscale hydrodynamic simulations. The hybrid simulation approach combines the…
In addition to the terminal flow (the region I) and the shear thinning (the region II), we discover two new flow regions in capillary flow at the wall stress higher than the plateau modulus of the polymer. The region III violates the…
Polymers in nonuniform flows undergo strong deformation, which in the presence of persistent stretching can result in the coil-stretch transition. This phenomenon has been characterized by using the formalism of nonequilibrium statistical…
Glassy polymers show strain hardening: at constant extensional load, their flow first accelerates, then arrests. Recent experiments under such loading have found this to be accompanied by a striking dip in the segmental relaxation time.…
Although 3D printing has the potential to transform manufacturing processes, the strength of printed parts often does not rival that of traditionally-manufactured parts. The fused-filament fabrication method involves melting a…
The COMOFLO dynamic Monte Carlo algorithm is extended to enable the simulation of steady-state extensional rheology of dense melts for the first time ever. This significant advancement provides the ability to accurately capture the…
We study the dynamics of a single polymer subject to thermal fluctuations in a linear shear flow. The polymer is modeled as a finitely extendable nonlinear elastic FENE dumbbell. Both orientation and elongation dynamics are investigated…
Progressive damage, which eventually leads to failure, is ubiquitous in biological and synthetic polymers. The simplest case to consider is that of elastomeric materials, which can undergo large reversible deformations with negligible rate…
We use nonequilibrium molecular dynamics simulations to verify recent tube-model predictions that associative polymer networks exhibit broad stretch fluctuations during elongational flow. Simulations further show that these fluctuating…
We have developed a new multiscale simulation technique to investigate history-dependent flow behavior of entangled polymer melt, using a smoothed particle hydrodynamics simulation with microscopic simulators that account for the dynamics…
Linear Elastic Fracture Mechanics (LEFM) provides a consistent framework to evaluate quantitatively the energy flux released to the tip of a growing crack. Still, the way in which the crack selects its velocity in response to this energy…
We show that non-entangled polymers display an elastic-like behaviour at a macroscopic scale (probed at some 0.100 mm thickness) up to at least hundred degrees above the glass transition temperature. This observation, found under…
Entanglement of polymer chains is ubiquitous in elastomers, gels, and biological tissues. While the effects of chain entanglement on elasticity and viscoelasticity of polymer networks have been intensively studied, it remains elusive how…
Viscosity overshoot of entangled polymer melts has been observed under shear flow and uniaxial elongational flow, but has never been observed under biaxial elongational flow. We confirmed the presence of viscosity overshoot under biaxial…
The effects of elasticity on filament thinning and breakup are investigated in microchannel cross flow. When a viscous solution is stretched by an external immiscible fluid, a low 100 ppm polymer concentration strongly affects the breakup…