相关论文: Elongational viscosity of weakly entangled polymer…
The rheology of pressure-driven flows of two-dimensional dense monodisperse emulsions in neutral wetting microchannels is investigated by means of mesoscopic lattice simulations, capable of handling large collections of droplets, in the…
An enthalpy-based uniform lattice Boltzmann flux solver (EULBFS) is proposed in this paper for simulating liquid solidification, incorporating the effects of volume expansion and shrinkage caused by density differences between liquid and…
This article focuses on a preaveraging description of polymer nonequilibrium stretching, where a single polymer undergoes a transient process from equilibrium to nonequilibrium steady state by pulling one chain end. The preaveraging method…
Nonlinear elastic responses of short and stiff polyelectrolytes are investigated by dynamic simulations on a single molecule level. When a polyelectrolyte condensate undergoes a mechanical unfolding, two types of force-extension curves,…
In this paper, a three-dimensional numerical solver is developed for suspensions of rigid and soft particles and droplets in viscoelastic and elastoviscoplastic (EVP) fluids. The presented algorithm is designed to allow for the first time…
By combining molecular dynamics simulations and topological analyses with scaling arguments, we obtain analytic expressions that quantitatively predict the entanglement length $N_e$, the plateau modulus $G$, and the tube diameter $a$ in…
The variational principle of minimum free energy (MFEVP) has been widely used in the study of soft matter statics. MFEVP can be used not only to derive equilibrium equations (including both bulk equations and boundary conditions), but also…
We present an extensive analysis of the relaxation dynamics of entangled linear polymer melts via long-time molecular dynamics simulations of a generic bead-spring model. We study the mean-squared displacements, the autocorrelation function…
Lagrangian techniques, such as the finite-time Lyapunov exponent (FTLE) and hyperbolic Lagrangian coherent structures (LCS), have become popular tools for analyzing unsteady fluid flows. These techniques identify regions where particles…
As is well known, the extrusion rate of polymers from a cylindrical tube or slit (a ``die'') is in practice limited by the appearance of ``melt fracture'' instabilities which give rise to unwanted distortions or even fracture of the…
The Empirical Valence Bond (EVB) method offers a suitable framework to obtain reactive potentials through the coupling of non-reactive force fields. However, most of the implemented functional forms for the coupling terms depend on complex…
In this paper, we consider the wave propagations of viscoelastic materials, which has been derived by Taiping-Liu to approximate the viscoelastic dynamic system with fading memory (see [T.P.Liu(1988)\cite{LiuTP}]) by the Chapman-Enskog…
In this paper, we will provide the the finite element method for the electro-osmotic flow in micro-channels, in which a convection-diffusion type equation is given for the charge density $\rho^e$. A time-discrete method based on the…
Modeling dispersed solid phases in fluids still represents a computational challenge when considering a small-scale coupling in wide systems, such as the atmosphere or industrial processes at high Reynolds numbers. A numerical method is…
Many coarse-grained models have been developed for equilibrium studies of lipid bilayer membranes. To achieve in simulations access to length-scales and time-scales difficult to attain in fully atomistic molecular dynamics, these…
Turbulent flows have been used for millennia to mix solutes; a familiar example is stirring cream into coffee. However, many energy, environmental, and industrial processes rely on the mixing of solutes in porous media where confinement…
The viscoelastic behavior of liquid polymers changes depending on the microstructure of the polymer chains. To investigate the unsteady structural changes induced by polymer chain morphology under stress, we develop a simple rheo-optical…
We present a new reduced-order computational method for the molecular dynamics simulation of entangled polymer systems. The polymer chains are modeled as continuous Gaussian chains. Our algorithm is based on the application of the molecular…
Exact relaxation times and eigenfunctions for a simple mechanical model of polymer dynamics are obtained using supersymmetry methods of quantum mechanics. The model includes the finite extensibility of the molecule and does not make use of…
Common modal decomposition techniques for flowfield analysis, data-driven modeling and flow control, such as proper orthogonal decomposition (POD) and dynamic mode decomposition (DMD) are usually performed in an Eulerian (fixed) frame of…