Related papers: Conformations of dendrimers in dilute solution
We study a single flexible chain molecule grafted to a membrane which has pores of size slightly larger than the monomer size. On both sides of the membrane there is the same solvent. When this solvent is good, i.e. when the polymer is…
We employ molecular dynamics simulations to explore how internal flexibility affects phase transitions in soft-matter systems composed of dimers interacting via a core-softened potential with two characteristic length scales. Monomers are…
Supercooled liquids are characterized by relaxation times that increase dramatically by cooling or compression. Many liquids have been shown to obey power-law density scaling, according to which the relaxation time is a function of density…
The behaviour of rod-coil diblock copolymers close to a surface is discussed by using extended scaling methods. The copolymers are immersed in selective solvent such that the rods are likely to aggregate to gain energy. The rods are assumed…
Solutions of semiflexible polymers confined by repulsive planar walls are studied by density functional theory and Molecular Dynamics simulations, to clarify the competition between the chain alignment favored by the wall and the depletion…
When two types of side chains (A,B) are densely grafted to a (stiff) backbone and the resulting bottle-brush polymer is in a solution under poor solvent conditions, an incompatibility between A and B leads to microphase separation in the…
We present a unified scaling theory for the dynamics of monomers for dilute solutions of semiflexible polymers under good solvent conditions in the free draining limit. Our theory encompasses the well-known regimes of mean square…
A binary mixture of particles interacting with spherically-symmetric potentials leading to microsegregation is studied by theory and molecular dynamics (MD) simulations. We consider spherical particles with equal diameters and volume…
We investigate by the use of the Martin - Siggia - Rose generating functional technique and the self - consistent Hartree approximation, the dynamics of the ring homopolymer collapse (swelling) following an instantaneous change into a poor…
The Landauer scattering approach to 4-probe resistance is revisited for the case of a d-dimensional disordered resistor in the presence of decoherence. Our treatment is based on an invariant-embedding equation for the evolution of the…
Molecular dimers are widely utilized as a tool to investigate the structure-property relationships behind the complex photophysical processes of condensed-phase systems, where structural tuning remains a challenge. This approach often…
In this study, we explore an overdamped system of a dimer in a bistable potential immersed in a heat bath. The monomers interact via the combination of the Lennard-Jones potential and the harmonic potential. We have introduced a short-range…
We perform extensive monomer-resolved computer simulations of suitably-designed amphiphilic dendritic macromolecules over a broad range of densities, proving the existence and stability of cluster crystals formed in these systems, as…
Scaling relationships have been proposed to describe shear-driven size segregation based on intruder experiments and simulations. While these models have shown agreement with experimental and numerical results under uniform shear rate,…
This study uses a coarse-grained Monte Carlo algorithm to model and simulate the coadsorption of a binary mixture of counterionic colloids in Gibbs monolayers. These monolayers form at a idealized air-water interface, with one non-soluble…
Microcanonical Monte Carlo simulations of a polydisperse soft-spheres model for liquids and colloids have been performed for very large polydispersity, in the region where a phase-separation is known to occur when the system (or part of it)…
Studies of the structure and kinematics of cores associated with the regions of massive star and star cluster formation are necessary for constructing scenario for the evolution of these objects. We analyzed spectral maps of the massive…
Conformations of a single semiflexible polymer chain dissolved in a low molecular weight liquid crystalline solvents (nematogens) are examined by using a mean field theory. We takes into account a stiffness and partial orientational…
For a conformal theory it is natural to seek the conformal moduli space, M_c to which it belongs, generated by the exactly marginal deformations. By now we should have the tools to determine M_c in the presence of enough supersymmetry. Here…
In this paper, we employ Molecular Dynamics computer simulations to study and compare the statics and dynamics of linear and circular (ring) polymer chains in entangled solutions of different densities. While we confirm that linear chain…