相关论文: Compressible or incompressible blend of interactin…
We report molecular dynamics simulation results on the equilibrium properties of polymer thin films adsorbed onto flat and curved substrates. We first systematically determine the contact angle of polymer droplets on flat substrates as a…
Context: The size of the constituent particles (monomers) of dust aggregates is one of the most uncertain parameters directly affecting collisional growth of aggregates in planet-forming disks. Despite its importance, the monomer size has…
Given the wide range of length scales, the analysis of polymer systems often requires coarse-graining, for which various levels of description may be possible depending on the phenomenon under consideration. Here, we provide a super-coarse…
An infinite hierarchy of layering transitions exists for model polymers in solution under poor solvent or low temperatures and near an attractive surface. A flat histogram stochastic growth algorithm known as FlatPERM has been used on a…
We study the conformational properties of complex polymer macromolecules, consisting in general of $n$ subsequently connected chains (blocks) of different lengths and distinct chemical structure. Depending on the solvent conditions, the…
In equilibrium the interface potential that describes the interaction between two AB interfaces in a binary blend of A and B homopolymers is attractive at all distances, resulting in coarsening of the blend morphology even in the absence of…
We propose microscopic density functional theory for inhomogeneous star polymers. Our approach is based on fundamental measure theory for hard spheres, and on Wertheim's first- and second-order perturbation theory for the interparticle…
We present a systematic study of the internal mass structure of early-type galaxies (ETGs) based on 106 galaxy-scale strong gravitational lenses with background quasars, all having spectroscopic redshifts. From this parent sample, we select…
In the monomer-polymer model, a linear rigid polymer covers $k$ adjacent lattice sites, with no lattice site occupied by more than one polymer. The polymers are called $k$-mers, and those unoccupied lattice sites are called monomers. The…
Soft nanocomposites represent both a theoretical and an experimental challenge due to the high number of the microscopic constituents that strongly influence the behaviour of the systems. An effective theoretical description of such systems…
Topology of polymer profoundly influences on its behavior. However, its effect on imbibition dynamics remains poorly understood. In the present work, capillary filling (during imbibition and following full imbibition) of star polymer melts…
Polymers consisting of more than one type of monomer, known as copolymers, are vital to both living and synthetic systems. Copolymerisation has been studied theoretically in a number of contexts, often by considering a Markov process in…
We study the interplay between repulsive interaction and an almost staggered on-site potential in one-dimension. Specifically, we address the Harper model for spinless fermions with nearest-neighbor repulsion, close to half-filling. Using…
Polytropes have gained renewed interest because they account for several seemingly-disconnected observational properties of galaxies. Here we study if polytropes are also able to explain the stellar mass distribution within galaxies. We…
The collision dynamics of hard spheres and cylindrical pores is solved exactly, which is the minimal model for a regularly porous membrane. Nonequilibrium event-driven molecular dynamics simulations are used to show that the permeability…
We characterize the properties of the intergalactic medium (IGM) around a sample of galaxies extracted from state-of-the-art hydrodynamical simulations of structure formation in a cosmological volume of 25 Mpc comoving at $z\sim 2$. The…
In this paper we present simulations of a surface-adsorbed polymer subject to an elongation force. The polymer is modelled by a self-avoiding walk on a regular lattice. It is confined to a half-space by an adsorbing surface with attractions…
Hybrid molecular dynamics/Monte Carlo simulations used to study melts of unentangled, thermoreversibly associating supramolecular polymers. In this first of a series of papers, we describe and validate a model that is effective in…
Cosmological simulations of dark matter structures have identified a set of universal profiles, and similar characteristics have been seen in non-cosmological simulations. It has therefore been speculated whether these profiles of…
In polymer melts, the interaction between segments are considered to be screened and the ideal Gaussian chain statistics is recovered. The experimental fact that linear viscoelasticity of unentangled polymers can be well described by the…