Related papers: Effect of shear flow on the transverse thermal con…
We use nonequilibrium molecular dynamics (NEMD) to explore the effect of shear flow on heat flux. By simulating a simple fluid in a channel bounded by tethered atoms, the heat flux is computed for two systems: a temperature driven one with…
We successfully extend a multiscale simulation (MSS) method to nonisothermal well-entangled polymer melt flows between two coaxial cylinders. In the multiscale simulation, the macroscopic flow system is connected to a number of microscopic…
The rheological behavior of polymer melts is strongly influenced by parameters such as chain length, chain stiffness, and architecture. In particular, shear thinning, characterized by a power-law decrease in shear viscosity with increasing…
Although the reverse non-equilibrium molecular dynamics (RNEMD) simulation method has been widely employed, the range of applicability is yet to be discussed. In this study, for the first time, we systematically examine the method against…
We study the dynamics of the phase behavior of a polymer blend in the presence of shear flow. By adopting a two fluid picture and using a generalization of the concept of material derivative, we construct kinetic equations that describe the…
The nonequilibrium structural and dynamical properties of semiflexible active polar polymers subject to linear flow are studied by numerical simulations. Filaments are confined in two dimensions and immersed in a fluid described by the…
Using molecular dynamics simulations, we study dynamics of a model polymer melt composed of short chains with bead number N=10 in supercooled states. In quiescent conditions, the stress relaxation function $G(t)$ is calculated, which…
We performed a series of molecular dynamics simulations on monodisperse polymer melts to investigate the formation of shear banding. Under high shear rates, shear banding occurs, which is accompanied with the entanglement heterogeneity…
We investigate numerically the dynamics of a single polymer in a linear shear flow. The effects of thermal fluctuations and randomly fluctuating velocity gradients are both analyzed. Angular, elongation and tumbling time statistics are…
We analyze the shear response of grafted polymer chains in shear flow via coarse-grained molecular dynamics simulations. Our simulations confirm that the shear response is dominated by the brush's outermost correlation volume, which depends…
Both entangled and unentangled polymer melts exhibit stress overshoots when subject to shearing flow. The size of the overshoot depends on the applied shear rate and is related to relaxation mechanisms such as reptation, chain stretch and…
In turbulent wall sheared thermal convection, there are three different flow regimes, depending on the relative relevance of thermal forcing and wall shear. In this paper we report the results of direct numerical simulations of such sheared…
Despite the desirability of polymers for use in many products due to their flexibility, light weight, and durability, their status as thermal insulators has precluded their use in applications where thermal conductors are required. However,…
We perform direct numerical simulations of wall sheared Rayleigh-B\'enard (RB) convection for Rayleigh numbers up to $Ra=10^8$, Prandtl number unity, and wall shear Reynolds numbers up to $Re_w=10000$. Using the Monin-Obukhov length…
In the shear flow of liquid crystalline polymers (LCPs) the nematic director orientation can align with the flow direction for some materials, but continuously tumble in others. The nematic dumbbell (ND) model was originally developed to…
The competition between the drive and stabilization of plasma microinstabilities by sheared flow is investigated, focusing on the ion temperature gradient mode. Using a twisting mode representation in sheared slab geometry, the…
A non-Newtonian flow of a polymer melt is discussed. The description of the exponential decrease of the apparent viscosity by the well-known Eyring formula with an activation energy reduction proportional to the shear stress does not take…
The interaction of polymers with turbulent shear flows is examined. We focus on the structure of the elastic stress tensor, which is proportional to the polymer conformation tensor. We examine this object in turbulent flows of increasing…
We use numerical simulations to study the flow of athermal, frictionless, soft-core two dimensional spherocylinders driven by a uniform steady-state simple shear applied at a fixed volume and a fixed finite strain rate $\dot\gamma$. Energy…
The shear rate dependence of the slip length in thin polymer films confined between atomically flat surfaces is investigated by molecular dynamics simulations. The polymer melt is described by the bead-spring model of linear flexible…