Related papers: Micro-Macro Modeling of Polymeric Fluids with Mult…
We performed molecular dynamics simulations to study equilibrium and flow properties of a liquid in a nano-channel with confining surfaces coated with a layer of grafted semiflexible polymers. The coverage spans a wide range of grafting…
We study the bead-spring model for a polymerized phantom membrane in the overdamped limit, which is the two-dimensional generalization of the well-known Rouse model for polymers. We derive the {\it exact} eigenmodes of the membrane dynamics…
A robust non-Newtonian fluid model of dilute polyelectrolyte solutions is derived from kinetic theory arguments. Polyelectrolyte molecules are modeled as finitely elongated nonlinear elastic dumbbells, where effective charges (interacting…
Fluid transport in microfluidic systems typically is laminar due to the low Reynolds number characteristic of the flow. The inclusion of suspended polymers imparts elasticity to fluids, allowing instabilities to be excited when substantial…
We analyse the flow curves of a two-dimensional assembly of granular particles which are interacting via frictional contact forces. For packing fractions slightly below jamming, the fluid undergoes a large scale instability, implying a…
We suggest a simple model to describe polyamorphism in single-component fluids using a maximum-valence approach. The model contains three types of interactions: i) atoms attract each other by van der Waals forces that generate a liquid-gas…
In this study we have investigated into the entanglement effect and crosslinking effect in long-chain SBR rubber polymer system to model the mechanical hyperelastic behavior. The discussed methodologies are developed by a dissipative…
We consider random walk model of a semi-flexible polymer chain on a square and a cubic lattice to enumerate conformations of the polymer chain in two and three dimensions, respectively. The bending energy of the chain is assumed as the key…
We present numerical studies for finitely extensible nonlinear elastic (FENE) dumbbells which are dispersed in a turbulent plane shear flow at moderate Reynolds number. The polymer ensemble is described on the mesoscopic level by a set of…
We visualize entanglements in polymer melts using molecular dynamics simulation. A bead at an entanglement interacts persistently for long times with the non-bonded beads (those excluding the adjacent ones in the same chain). The…
The mechanical model based on beads and springs, which we recently proposed to study non-specific DNA-protein interactions [J. Chem. Phys. 130, 015103 (2009)], was improved by describing proteins as sets of interconnected beads instead of…
This paper is the second of the series of two papers, which focuses on the derivation of an averaged 1D model for compressible bubbly flows. For this, we start from a microscopic description of the interactions between a large but finite…
A microscopic model of a surface polymer network - membrane system is introduced, with contact polymer surface interactions that can be either repulsive or attractive and sliplinks of functionality four randomly distributed over the…
Chaotic flows drive mixing and efficient transport in fluids, as well as the associated beautiful complex patterns familiar to us from our every day life experience. Generating such flows at small scales where viscosity takes over is highly…
Large deformations of soft elastic beads spinning at high angular velocity in a denser background fluid are investigated theoretically, numerically, and experimentally using millimeter-size polyacrylamide hydrogel particles introduced in a…
Bead-based micro-swimmers are promising systems for payload delivery on the micro-scale. However, the principles underlying their optimal design are not yet fully understood. Here we study a simple device consisting of three…
Multiphase fluid dynamics, such as falling droplets and rising bubbles, are critical to many industrial applications. However, simulating these phenomena efficiently is challenging due to the complexity of instabilities, wave patterns, and…
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…
Trapping macromolecules is impoartant for the study of their conformations, interactions, dynamics and kinetic processes. Here, we develop a variational approach which self-consistently introduces a mean force that controls the…
Active microrheology is a valuable tool to determine viscoelastic properties of polymer networks. Observing the beads response to the excitation of a reference leads to dynamic and morphological information of the material. In this work we…