相关论文: Conformations of amphiphilic diblock star copolyme…
We study, by Monte Carlo simulations, a coarse-grained model of a water monolayer between hydrophobic walls at partial hydration, with a wall-to-wall distance of about 0.5 nm. We analyze how the diffusion constant parallel to the walls,…
We use numerical simulations to understand how random deviations from the ideal spherical shape affect the ability of hard particles to form fcc crystalline structures. Using a system of hard spheres as a reference, we determine the…
The structural phase behavior of polymer brushes, single-component linear homopolymers grafted onto a planar substrate, is studied using the molecular Monte Carlo method in 3 dimensions. When simulation parameters of the system are set in…
In this paper we study a model describing a copolymer in a micro-emulsion. The copolymer consists of a random concatenation of hydrophobic and hydrophilic monomers, the micro-emulsion consists of large blocks of oil and water arranged in a…
We have studied structure formation in a confined block copolymer melt by means of dynamic density functional theory (DDFT). The confinement is two-dimensional, and the confined geometry is that of a cylindrical nanopore. Although the…
Confinement can have a considerable effect on the behavior of particle systems, and is therefore an effective way to discover new phenomena. A notable example is a system of identical bosons at low temperature under an external field…
We model gravitational collapse leading to star formation in a wide range of isolated disk galaxies using a three-dimensional, smoothed particle hydrodynamics code. The model galaxies include a dark matter halo and a disk of stars and…
We study instabilities and pattern formation in reaction-diffusion layers that are diffusively coupled. For two-layer systems of identical two-component reactions, we analyze the stability of homogeneous steady states by exploiting the…
Several recent imaging experiments access the equilibrium density profiles of interacting particles confined to a two-dimensional substrate. When these particles are in a fluid phase, we show that such data yields precise information…
We have used neutron scattering to investigate the influence of concentration on the conformation of a star polymer. By varying the contrast between the solvent and isotopically labeled stars, we obtain the distributions of polymer and…
We investigate the collapse of a trapped dipolar Bose-Einstein condensate. This is performed by numerical simulations of the Gross-Pitaevskii equation and the novel application of the Thomas-Fermi hydrodynamic equations to collapse. We…
We study the role of topological restrictions for the conformational structure of a nonphantom homopolymer chain in a lattice Monte Carlo model. In the athermal regime we find that the standard Metropolis algorithm violates the detailed…
The collapse and swelling behavior of a generic homopolymer is studied using implicit-solvent, explicit-cosolvent Langevin dynamics computer simulations for varying interaction strengths. The systematic investigation reveals that polymer…
In this paper we review some recent results, obtained jointly with Stu Whittington, for a mathematical model describing a copolymer in an emulsion. The copolymer consists of hydrophobic and hydrophilic monomers, concatenated randomly with…
Understanding the formation of binary and multiple stellar systems largely comes down to studying the circumstances for the fragmentation of a condensing core during the first stages of the collapse. However, the probability of…
We study a two-dimensional fluid of dipolar hard disks by Monte Carlo simulations in a square with periodic boundary conditions and on the surface of a sphere. The theory of the dielectric constant and the asymptotic behaviour of the…
We investigate the structure of a dilute mixture of amphiphilic dimers and spherical particles, a model relevant to the problem of encapsulating globular "guest" molecules in a dispersion. Dimers and spheres are taken to be hard particles,…
The microphase separated morphology of a melt of a specific class of comb-coil diblock copolymers, consisting of an AB comb block and a linear homopolymer A block, is analyzed in the weak segregation limit. On increasing the length of the…
The time evolution of a set of 22 Mo unstable charged stars that collapse is computed integrating the Einstein-Maxwell equations. The model simulate the collapse of an spherical star that had exhausted its nuclear fuel and have or acquires…
Amphiphilic block copolymers self-assemble into diverse nanoscale morphologies with significant implications for drug delivery. This work presents systematic Brownian dynamics simulations of multi-chain diblock and triblock copolymers…