Related papers: Excluded volume effect in flexible dendrimer syste…
Single partially confined collapsed polymers are studied in two dimensions. They are described by self-avoiding random walks with nearest-neighbour attractions below the $\Theta$-point, on the surface of an infinitely long cylinder. For the…
We explore the consequences of the excluded volume interaction of hard spheres at high densities and present a theory for excited granular materials. We first demonstrate that, in the presence of gravity, the granular density crosses over…
We report extensive simulations of the relaxation dynamics of a self-avoiding polymer confined inside a cylindrical pore. In particular, we concentrate on examining how confinement influences the scaling behavior of the global relaxation…
The effective pair potentials between different kinds of dendrimers in solution can be well approximated by appropriate Gaussian functions. We find that in binary dendrimer mixtures the range and strength of the effective interactions…
A simple model of a circularly closed dsDNA in a poor solvent is considered as an example of a semi-flexible polymer with self-attraction. To find the ground states, the conformational energy is computed as a sum of the bending and…
Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modelled as Gaussian threads with ring-polymer architecture in a four…
Monte Carlo computer simulations are used to study the conformational free energy of a folded polymer confined to a long cylindrical tube. The polymer is modeled as a hard-sphere chain. Its conformational free energy $F$ is measured as a…
Self-consistent field approach is used to model a single end-tethered polymer chain on a substrate subject to various forces in three dimensions. Starting from a continuous Gaussian chain model, the following perturbations are considered:…
We study the effect of fluid flow on three-dimensional (3D) dendrite growth using a phase-field model on an adaptive finite element grid. In order to simulate 3D fluid flow, we use an averaging method for the flow problem coupled to the…
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…
Understanding the dynamics of soft colloids, such as star polymers, dendrimers, and microgels, is of scientific and practical importance. It is known that the excluded volume effect plays a key role in colloidal dynamics. Here, we propose a…
Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function that is…
Randomly branching polymers with {\em annealed} connectivity are model systems for ring polymers and chromosomes. In this context, the branched structure represents transient folding induced by topological constraints. Here we present…
A phase-field model for diffusion-limited crystal growth is formulated that is capable of handling highly anisotropic interfaces. It uses a Willmore regularization that yields corners of finite size. An asymptotic analysis reveals that…
The finite volume correction for a mean-field monomer-dimer system with an attractive interaction are computed for the pressure density, the monomer density and the susceptibility. The results are obtained by introducing a two-dimensional…
Dendronized polymers consist of an elastic backbone with a set of iterated branch structures (dendrimers)attached at every base point of the backbone. The conformations of such molecules depend on the elastic deformation of the backbone and…
We present an application of Flory-type self-consistent field theory of the flexible polymer chain dissolved in the binary mixture of solvents to theoretical description of co-nonsolvency. We show that our theoretical predictions are in…
The ''polymer reference interaction site model'' (PRISM) integral equation theory is used to determine the structure factor of rigid dendrimers in solution. The theory is quite successful in reproducing experimental structure factors for…
The free energy cost of confining a star polymer where $f$ flexible polymer chains containing $N$ monomeric units are tethered to a central unit in a slit with two parallel repulsive walls a distance $D$ apart is considered, for good…
The charge on a conducting cylinder becomes uniformly distributed at large aspect ratios, albeit very slowly and with nonuniformity persisting near the ends. We show that the charge density and field magnitude are enhanced near the ends by…