相关论文: On the Dynamics and Disentanglement in Thin and Tw…

Confined geometries offer useful and experimentally amenable mechanical testing arrangements in which to study the molecular and micro-structural processes which govern plastic yield in stress environments dominated by hydrostatic pressure…

Free surfaces in glassy polymer films are known to induce surface mobile layers with enhanced dynamics. Using molecular dynamics simulations of a bead-spring model, we study a wide variety of layer-resolved structural and dynamical…

Dimerization and subsequent aggregation of polymers and biopolymers often occur under nonequilibrium conditions. When the initial state of the polymer is not collapsed or the final folded native state, the dynamics of dimerization can…

When a thin film moderately adherent to a substrate is subjected to residual stress, the cooperation between fracture and delamination leads to unusual fracture patterns, such as spirals, alleys of crescents and various types of strips, all…

In this paper, we construct an effective model for the dynamics of an excluded-volume chain under confinement, by extending the formalism of Rouse modes. We make specific predictions about the behavior of the modes for a single polymer…

Based on non-equilibrium molecular dynamics simulations of entangled polymer melts, a recent Letter [Phys. Rev. Lett. $\textbf{121}$, 047801 (2018), arXiv:1806.09509] claims that the rising extensional stress is quantitatively consistent…

We perform drainage experiments of a linear alkane fluid (n-hexadecane) down to molecular thicknesses, and focus on the role played by the confinement rate. We show that molecular layering is strongly influenced by the velocity at which the…

We consider quantum particle or Gaussian polymer confinement between two surfaces and in cylinders with sinusoidal undulations. In terms of the variational method, we show that the quantum mechanical wave equations have lower ground state…

The adhesion between a polymer melt and substrate is studied in the presence of chemically attached chains on the substrate surface. Extensive molecular dynamics simulations have been carried out to study the effect of temperature, tethered…

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…

Using Monte Carlo simulation, we studied the electrical conductance of two-dimensional films. The films consisted of a poorly conductive host matrix and highly conductive rodlike fillers (rods). The rods were of various lengths, obeying a…

Nanometer-thick supported lms of polymer melts spontaneously form and spread around sessile droplets that are deposited on oxidized silicon wafers. At steady state, the lms become dense and adopt a uniform thickness which is equal to twice…

We have simulated the dynamics of a 2D gas of hard needles by event-oriented molecular dynamics. Various quantities namely translational and rotational diffusion constants and intermediate self scattering function have been explored and…

Complex flow fields govern the deformation of polymers in various manufacturing processes. However, high flow rates may trigger reaction events (i.e., bond breaking or undesirable reaction of mechanophores) in raw polymeric materials,…

The instability, dynamics and morphological transitions of patterns in thin liquid films on periodic striped surfaces (consisting of alternating less and more wettable stripes) are investigated based on 3-D nonlinear simulations that…

It has been revealed by mean-field theories and computer simulations that the nature of the collapse transition of a polymer is influenced by its bending stiffness $\epsilon_{\rm b}$. In two dimensions, a recent analytical work demonstrated…

We present an extensive experimental study of birefringence and velocity-gradient components for a series of high molecular weight, flexible, entangled polystyrene solutions subjected to transient start-up flows in a co-rotating two-mill to…

Dewetting of ultra-thin polymer films near the glass transition exhibits unexpected front morphologies [G. Reiter, Phys. Rev. Lett., 87, 186101 (2001)]. We present here the first theoretical attempt to understand these features, focusing on…

Experiments have investigated shape changes of polymer films induced by asymmetric swelling by a chemical vapor. Inspired by recent work on the shaping of elastic sheets by non-Euclidean metrics [Y. Klein, E. Efrati, and E. Sharon, Science…

The reptation concept in polymer dynamics is studied for model chains with added stiffness. The main idea of a chain diffusing inside a tube can be transferred from fully flexible chains. However, the picture, which renormalizes the chain…