Crystallization and phase-separation in non-additive binary hard-sphere mixtures

We calculate for the first time the full phase-diagram of an asymmetric non-additive hard-sphere mixture. The non-additivity strongly affects the crystallization and the fluid-fluid phase-separation. The global topology of the phase-diagram is controlled by an effective size-ratio y_{eff}, while the fluid-solid coexistence scales with the depth of the effective potential well.Comment: 4 pages, 4 figures, to appear in Phys. Rev.

The structure of colloid-polymer mixtures

We investigate the structure of colloid-polymer mixtures by calculating the structure factors for the Asakura-Oosawa model in the PY approximation. We discuss the role of potential range, polymer concentration and polymer-polymer interactions on the colloid-colloid structure. Our results compare reasonably well with the recent experiments of Moussa\"{i}d et. al. for small wavenumber $k$, but we find that the Hansen-Verlet freezing criterion is violated when the liquid phase becomes marginal.Comment: 7 pages, 4 figures, to appear in EuroPhys. Let

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

Self-consistent Ornstein-Zernike approximation for molecules with soft cores

The Self-Consistent Ornstein-Zernike Approximation (SCOZA) is an accurate liquid state theory. So far it has been tied to interactions composed of hard core repulsion and long-range attraction, whereas real molecules have soft core repulsion at short distances. In the present work, this is taken into account through the introduction of an effective hard core with a diameter that depends upon temperature only. It is found that the contribution to the configurational internal energy due to the repulsive reference fluid is of prime importance and must be included in the thermodynamic self-consistency requirement on which SCOZA is based. An approximate but accurate evaluation of this contribution relies on the virial theorem to gauge the amplitude of the pair distribution function close to the molecular surface. Finally, the SCOZA equation is transformed by which the problem is reformulated in terms of the usual SCOZA with fixed hard core reference system and temperature-dependent interaction

A density--functional study of interfacial properties of colloid--polymer mixtures

Interfacial properties of colloid--polymer mixtures are examined within an effective one--component representation, where the polymer degrees of freedom are traced out, leaving a fluid of colloidal particles interacting via polymer--induced depletion forces. Restriction is made to zero, one and two--body effective potentials, and a free energy functional is used which treats colloid excluded volume correlations within Rosenfeld's Fundamental Measure Theory, and depletion--induced attraction within first--order perturbation theory. This functional allows a consistent treatment of both ideal and interacting polymers. The theory is applied to surface properties near a hard wall, to the depletion interaction between two walls, and to the fluid--fluid interface of demixed colloid--polymer mixtures. The results of the present theory compare well with predictions of a fully two--component representation of mixtures of colloids and ideal polymers (the Asakura--Oosawa model), and allow a systematic investigation of the effects of polymer--polymer interactions on interfacial properties. In particular, the wall surface tension is found to be significantly larger for interacting than for ideal polymers, while the opposite trend is predicted for the fluid--fluid interfacial tension.Comment: submitted to J. Phys. Chem. B, special issue in honour of David Chandle

How many nucleosynthesis processes exist at low metallicity?

Abundances of low-metallicity stars offer a unique opportunity to understand the contribution and conditions of the different processes that synthesize heavy elements. Many old, metal-poor stars show a robust abundance pattern for elements heavier than Ba, and a less robust pattern between Sr and Ag. Here we probe if two nucleosynthesis processes are sufficient to explain the stellar abundances at low metallicity, and we carry out a site independent approach to separate the contribution from these two processes or components to the total observationally derived abundances. Our approach provides a method to determine the contribution of each process to the production of elements such as Sr, Zr, Ba, and Eu. We explore the observed star-to-star abundance scatter as a function of metallicity that each process leads to. Moreover, we use the deduced abundance pattern of one of the nucleosynthesis components to constrain the astrophysical conditions of neutrino-driven winds from core-collapse supernovae.Comment: 13 pages, published in Ap

Many-body interactions and correlations in coarse-grained descriptions of polymer solutions

We calculate the two, three, four, and five-body (state independent) effective potentials between the centers of mass (CM) of self avoiding walk polymers by Monte-Carlo simulations. For full overlap, these coarse-grained n-body interactions oscillate in sign as (-1)^n, and decrease in absolute magnitude with increasing n. We find semi-quantitative agreement with a scaling theory, and use this to discuss how the coarse-grained free energy converges when expanded to arbitrary order in the many-body potentials. We also derive effective {\em density dependent} 2-body potentials which exactly reproduce the pair-correlations between the CM of the self avoiding walk polymers. The density dependence of these pair potentials can be largely understood from the effects of the {\em density independent} 3-body potential. Triplet correlations between the CM of the polymers are surprisingly well, but not exactly, described by our coarse-grained effective pair potential picture. In fact, we demonstrate that a pair-potential cannot simultaneously reproduce the two and three body correlations in a system with many-body interactions. However, the deviations that do occur in our system are very small, and can be explained by the direct influence of 3-body potentials.Comment: 11 pages, 1 table, 9 figures, RevTeX (revtex.cls

Wind tunnel measurements in the wake of a simple structure in a simulated atmospheric flow

Measurements of longitudinal mean velocity and turbulence intensity were made in the wake of a rectangular model building in a simulated atmospheric boundary-layer wind. The model building was a 1:50 scale model of a structure used in a wake measurement program at the George C. Marshall Space Flight Center 8-tower boundary-layer facility. The approach wind profile and measurement locations were chosen to match the field site conditions. The wakes of the building in winds from azimuths of 0 and 47 degrees referenced to the normal to the building long axis were examined. The effect of two lines of trees upwind of the building on the wake and the importance of the ratio of the building height to boundary-layer thickness on the extent of the wake were determined