Influence of solvent quality on effective pair potentials between polymers in solution

Solutions of interacting linear polymers are mapped onto a system of ``soft'' spherical particles interacting via an effective pair potential. This coarse-graining reduces the individual monomer-level description to a problem involving only the centers of mass (CM) of the polymer coils. The effective pair potentials are derived by inverting the CM pair distribution function, generated in Monte Carlo simulations, using the hypernetted chain (HNC) closure. The method, previously devised for the self-avoiding walk model of polymers in good solvent, is extended to the case of polymers in solvents of variable quality by adding a finite nearest-neighbor monomer-monomer attraction to the previous model and varying the temperature. The resulting effective pair potential is found to depend strongly on temperature and polymer concentration. At low concentration the effective interaction becomes increasingly attractive as the temperature decreases, eventually violating thermodynamic stability criteria. However, as polymer concentration is increased at fixed temperature, the effective interaction reverts to mostly repulsive behavior. These issues help illustrate some fundamental difficulties encountered when coarse-graining complex systems via effective pair potentials.Comment: 15 pages, 12 figures (one added in revised version), revTeX

Relating monomer to centre-of-mass distribution functions in polymer solutions

A relationship between the measurable monomer-monomer structure factor, and the centre-of-mass (CM) structure factor of dilute or semi-dilute polymer solutions is derived from Ornstein-Zernike relations within the ``polymer reference interaction site model'' (PRISM) formalism, by considering the CM of each polymer as an auxiliary site and neglecting direct correlations between the latter and the CM and monomers of neighbouring polymers. The predictions agree well with Monte Carlo data for self-avoiding walk polymers, and are considerably more accurate than the predictions of simple factorization approximations.Comment: uses eps.cls, v2 is close to final published versio

Switching the sign of photon induced exchange interactions in semiconductor microcavities with finite quality factors

We investigate coupling of localized spins in a semiconductor quantum dot embedded in a microcavity with a finite quality factor. The lowest cavity mode and the quantum dot exciton are coupled forming a polariton, whereas excitons interact with localized spins via exchange. The finite quality of the cavity Q is incorporated in the model Hamiltonian by adding an imaginary part to the photon frequency. The Hamiltonian, which treats photons, spins and excitons quantum mechanically, is solved exactly. Results for a single polariton clearly demonstrate the existence of a resonance, sharper as the temperature decreases, that shows up as an abrupt change between ferromagnetic and antiferromagnetic indirect anisotropic exchange interaction between localized spins. The origin of this spin-switching finite-quality-factor effect is discussed in detail remarking on its dependence on model parameters, i.e., light-matter coupling, exchange interaction between impurities, detuning and quality factor. For parameters corresponding to the case of a (Cd,Mn)Te quantum dot, the resonance shows up for Q around 70 and detuning around 10 meV. In addition, we show that, for such a quantum dot, and the best cavities actually available (quality factors better than 200) the exchange interaction is scarcely affected.Comment: 7 figures, submitted to PR

Coarse-graining polymers as soft colloids

We show how to coarse grain polymers in a good solvent as single particles, interacting with density-independent or density-dependent interactions. These interactions can be between the centres of mass, the mid-points or end-points of the polymers. We also show how to extend these methods to polymers in poor solvents and mixtures of polymers. Treating polymers as soft colloids can greatly speed up the simulation of complex many-polymer systems, including polymer-colloid mixtures.Comment: to appear in Physica A, special STATPHYS 2001 edition. Content of invited talk by AA

Particle Topology, Braids, and Braided Belts

Recent work suggests that topological features of certain quantum gravity theories can be interpreted as particles, matching the known fermions and bosons of the first generation in the Standard Model. This is achieved by identifying topological structures with elements of the framed Artin braid group on three strands, and demonstrating a correspondence between the invariants used to characterise these braids (a braid is a set of non-intersecting curves, that connect one set of $N$ points with another set of $N$ points), and quantities like electric charge, colour charge, and so on. In this paper we show how to manipulate a modified form of framed braids to yield an invariant standard form for sets of isomorphic braids, characterised by a vector of real numbers. This will serve as a basis for more complete discussions of quantum numbers in future work.Comment: 21 pages, 16 figure

Hole Pairs in the Two-Dimensional Hubbard Model

The interactions between holes in the Hubbard model, in the low density, intermediate to strong coupling limit, are investigated. Dressed spin polarons in neighboring sites have an increased kinetic energy and an enhanced hopping rate. Both effects are of the order of the hopping integral and lead to an effective attraction at intermediate couplings. Our results are derived by systematically improving mean field calculations. The method can also be used to derive known properties of isolated spin polarons.Comment: 4 page

Stick boundary conditions and rotational velocity auto-correlation functions for colloidal particles in a coarse-grained representation of the solvent

We show how to implement stick boundary conditions for a spherical colloid in a solvent that is coarse-grained by the method of stochastic rotation dynamics. This allows us to measure colloidal rotational velocity auto-correlation functions by direct computer simulation. We find quantitative agreement with Enskog theory for short times and with hydrodynamic mode-coupling theory for longer times. For aqueous colloidal suspensions, the Enskog contribution to the rotational friction is larger than the hydrodynamic one when the colloidal radius drops below 35nm.Comment: new version with some minor change

Free fields via canonical transformations of matter-coupled 2D dilaton gravity models

It is shown that the 1+1-dimensional matter-coupled Jackiw-Teitelboim model and the model with an exponential potential can be converted by means of appropriate canonical transformations into a bosonic string theory propagating on a flat target space with an indefinite signature. This makes it possible to consistently quantize these models in the functional Schroedinger representation thus generalizing recent results on CGHS theory.Comment: 15 pages, Late

A contiuum model for low temperature relaxation of crystal steps

High and low temperature relaxation of crystal steps are described in a unified picture, using a continuum model based on a modified expression of the step free energy. Results are in agreement with experiments and Monte Carlo simulations of step fluctuations and monolayer cluster diffusion and relaxation. In an extended model where mass exchange with neighboring terraces is allowed, step transparency and a low temperature regime for unstable step meandering are found.Comment: Submitted to Phys.Rev.Let

Phase diagram of model anisotropic particles with octahedral symmetry

We computed the phase diagram for a system of model anisotropic particles with six attractive patches in an octahedral arrangement. We chose to study this model for a relatively narrow value of the patch width where the lowest-energy configuration of the system is a simple cubic crystal. At this value of the patch width, there is no stable vapour-liquid phase separation, and there are three other crystalline phases in addition to the simple cubic crystal that is most stable at low pressure. Firstly, at moderate pressures, it is more favourable to form a body-centred cubic crystal, which can be viewed as two interpenetrating, and almost non-interacting, simple cubic lattices.Secondly, at high pressures and low temperatures, an orientationally ordered face-centred cubic structure becomes favourable. Finally, at high temperatures a face-centred cubic plastic crystal is the most stable solid phase.Comment: 12 pages,10 figure