Related papers: Multiscale modeling and simulation for polymer mel…
The deformation and break-up of Newtonian/viscoelastic droplets are studied in confined shear flow. Our numerical approach is based on a combination of Lattice-Boltzmann models (LBM) and finite difference schemes, the former used to model…
Simulations of undulatory swimming in viscoelastic fluids with large amplitude gaits show concentration of polymer elastic stress at the tips of the swimmers.We use a series of related theoretical investigations to probe the origin of these…
The paper develops a method for the numerical simulation of a free-surface flow of incompressible viscous fluid around a streamlined body. The body is a rigid stationary construction partially submerged in the fluid. The application we are…
We explore numerically the shear rheology of soft repulsive particles at large volume fraction. The interplay between viscous dissipation and thermal motion results in multiple rheological regimes encompassing Newtonian, shear-thinning and…
We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally…
A coarse-grained bead-spring-dashpot chain model with the dashpots representing the presence of internal friction, is solved exactly numerically, for the case of chains with more than two beads. Using a decoupling procedure to remove the…
We introduce a novel toy model for shear flows, exploiting the spatial intermittency and the scale separation between large-scale flows and small-scale structures. The model is highly sparse, focusing exclusively on the most intense…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
In this work, we present a method for simulating the large-scale deformation and crumpling of thin, elastoplastic sheets. Motivated by the physical behavior of thin sheets during crumpling, two different formulations of the governing…
The flow of a colloidal solution between two parallel disks rotating with the same angular velocity about two non-coincident axes was studied. The problem has been approached from two perspectives, the first wherein the stress is expressed…
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…
The current theories on the mechanism for polymer drag-reduction (DR) are generally applicable for long-chain flexible polymers that form viscoelastic solutions. Rigid polymer solutions that generate DR seemingly lack prevalent viscoelastic…
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…
We present a modification of a recently developed volume of fluid method for multiphase problems, so that it can be used in conjunction with a fractional step-method and fast Poisson solver, and validate it with standard benchmark problems.…
We examine the profile of a liquid front of a film that is dewetting a solid substrate. Since volume is conserved, the material that once covered the substrate is accumulated in a rim close to the three phase contact line. Theoretically,…
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…
Anisotropic shear relaxation is an interesting but rarely discussed issue in polymer dynamics under confinement [Abberton et al., Macromolecules, 48, 7631, 2015]. According to the earlier study of bead spring simulations for an unentangled…
A microfluidic approach to probing the first normal stress difference from single-point pressure measurements in transient shear flows is presented. Using an original experimental design, we examine the near-zero-mean pulsatile flow of…
Molecular dynamics simulations were performed for a polymer melt. In quiescent states, the inter-chain interaction energy supported by each particle takes relatively large values persistently for long times if the particle is close to an…
The deformation and flow of disordered solids, such as metallic glasses and concentrated emulsions, involves swift localized rearrangements of particles that induce a long-range deformation field. To describe these heterogeneous processes,…