Related papers: Conformational dynamics of charged polymers intera…
We focus on polymer-grafted nanoparticles (PGNP). A PGNP is composed of two different layers: the hard core of a nanoparticle and the soft corona of grafted polymers on the surface. It is predicted that PGNPs with these two distinct layers…
The conformational and rheological properties of active polar linear polymers (APLPs) under linear shear flow are studied analytically. We describe a discrete APLP as an inextensible flexible Gaussian bead-spring chain supplemented by…
We investigate the impact of the addition of nanoparticles (NP) on the fragility of a model glass-forming polymer melt by molecular dynamics simulations. We find significant changes in fragility for nanoparticle volume fractions $\phi$…
We study an undirected polymer chain living on the 1-dimensional integer lattice and carrying i.i.d.\ random charges. Each self-intersection of the polymer contributes to the Hamiltonian an energy that is equal to the product of the charges…
The shear $\eta$ and bulk $\zeta$ viscous coefficients have been calculated in a hot and chirally asymmetric quark matter quantified in terms of a chiral chemical potential (CCP) using the two-flavor Nambu-Jona--Lasinio (NJL) model. This is…
Simple homogeneous shear flows of frictionless, deformable particles are studied by particle simulations at large shear rates and for differently soft, deformable particles. The particle stiffness sets a time-scale that can be used to scale…
We map out the solid-state morphologies formed by model soft-pearl-necklace polymers as a function of bending stiffness $k_b$ spanning the range from fully flexible to rodlike chains. The ratio of Kuhn length to bead diameter ($l_K/r_0$)…
Polymer-coated pores play a crucial role in nucleo-cytoplasmic transport and in a number of biomimetic and nanotechnological applications. Here we present Monte Carlo and Density Functional Theory approaches to identify different collective…
We consider a polymer, with monomer locations modeled by the trajectory of a Markov chain, in the presence of a potential that interacts with the polymer when it visits a particular site 0. We assume that probability of an excursion of…
Both the dispersion state of nanoparticles (NPs) within polymer nanocomposites (PNCs) and the dynamical state of the polymer altered by the presence of the NP/polymer interfaces have a strong impact on the macroscopic properties of PNCs. In…
The non-equilibrium structural and dynamical properties of semiflexible polymers confined to two dimensions are investigated by molecular dynamics simulations. Three different scenarios are considered: The force-extension relation of…
The effect of excluded volume interactions on the structure of a polymer in shear flow is investigated by Brownian Dynamics simulations for chains with size $30\leq N\leq 300$. The main results concern the structure factor $S({\bf q})$ of…
We develop further a statistical model coupling denaturation and chain conformations in DNA (Palmeri J, Manghi M and Destainville N 2007 Phys. Rev. Lett. 99 088103). Our Discrete Helical Wormlike Chain model takes explicitly into account…
von Willebrand Factor is a mechano-sensitive protein circulating in blood that mediates platelet adhesion to subendothelial collagen and platelet aggregation at high shear rates. Its hemostatic function and thrombogenic effect, as well as…
Cell dynamics simulation is used to investigate the phase behavior of block copolymer/homopolymer mixture subjected to a steady shear flow. Phase transitions occur from transverse to parallel and then to perpendicular lamellar structure…
We study critical behavior in the classical cubic dimer model (CDM) in the presence of a finite density of monomers. With attractive interactions between parallel dimers, the monomer-free CDM exhibits an unconventional transition from a…
We use a coarse-grained molecular dynamics simulation to investigate the interaction between neutral or charged nanoparticles (NPs) and a vesicle consisting of neutral and negatively charged lipids. We focus on the interaction strengths of…
We propose a scaling ansatz for the elastic energy of a system near the critical jamming transition in terms of three relevant fields: the compressive strain $\Delta \phi$ relative to the critical jammed state, the shear strain $\epsilon$,…
We present Monte Carlo simulations of semidilute solutions of long self-attracting chain polymers near their Ising type critical point. The polymers are modeled as monodisperse self-avoiding walks on the simple cubic lattice with attraction…
Considering the dynamics of a polymer with finite extensibility placed in a chaotic flow with large mean shear, we explain how the statistics of polymer extension changes with Weissenberg number, ${\it Wi}$, defined as the product of the…