Liquid-gas coexistence and critical point shifts in size-disperse fluids

Specialized Monte Carlo simulations and the moment free energy (MFE) method are employed to study liquid-gas phase equilibria in size-disperse fluids. The investigation is made subject to the constraint of fixed polydispersity, i.e. the form of the `parent' density distribution $\rho^0(\sigma)$ of the particle diameters $\sigma$, is prescribed. This is the experimentally realistic scenario for e.g. colloidal dispersions. The simulations are used to obtain the cloud and shadow curve properties of a Lennard-Jones fluid having diameters distributed according to a Schulz form with a large (40%) degree of polydispersity. Good qualitative accord is found with the results from a MFE method study of a corresponding van der Waals model that incorporates size-dispersity both in the hard core reference and the attractive parts of the free energy. The results show that polydispersity engenders considerable broadening of the coexistence region between the cloud curves. The principal effect of fractionation in this region is a common overall scaling of the particle sizes and typical inter-particle distances, and we discuss why this effect is rather specific to systems with Schulz diameter distributions. Next, by studying a family of such systems with distributions of various widths, we estimate the dependence of the critical point parameters on $\delta$. In contrast to a previous theoretical prediction, size-dispersity is found to raise the critical temperature above its monodisperse value. Unusually for a polydisperse system, the critical point is found to lie at or very close to the extremum of the coexistence region in all cases. We outline an argument showing that such behaviour will occur whenever size polydispersity affects only the range, rather than the strength of the inter-particle interactions.Comment: 14 pages, 12 figure

Enhanced transmission of slit arrays in an extremely thin metallic film

Horizontal resonances of slit arrays are studied. They can lead to an enhanced transmission that cannot be explained using the single-mode approximation. A new type of cavity resonance is found when the slits are narrow for a wavelength very close to the period. It can be excited for very low thicknesses. Optimization shows these structures could constitute interesting monochromatic filters

Nuclear shape dependence of Gamow-Teller distributions in neutron-deficient Pb isotopes

We study Gamow-Teller strength distributions in the neutron-deficient even isotopes (184-194)Pb in a search for signatures of deformation. The microscopic formalism used is based on a deformed quasiparticle random phase approximation (QRPA) approach, which involves a self-consistent quasiparticle deformed Skyrme Hartree-Fock (HF) basis and residual spin-isospin forces in both the particle-hole and particle-particle channels. By analyzing the sensitivity of the Gamow-Teller strength distributions to the various ingredients in the formalism, we conclude that the beta-decay of these isotopes could be a useful tool to look for fingerprints of nuclear deformation.Comment: 20 pages, 11 figures. To be published in Physical Review

Equilibrium phase behavior of polydisperse hard spheres

We calculate the phase behavior of hard spheres with size polydispersity, using accurate free energy expressions for the fluid and solid phases. Cloud and shadow curves, which determine the onset of phase coexistence, are found exactly by the moment free energy method, but we also compute the complete phase diagram, taking full account of fractionation effects. In contrast to earlier, simplified treatments we find no point of equal concentration between fluid and solid or re-entrant melting at higher densities. Rather, the fluid cloud curve continues to the largest polydispersity that we study (14%); from the equilibrium phase behavior a terminal polydispersity can thus only be defined for the solid, where we find it to be around 7%. At sufficiently large polydispersity, fractionation into several solid phases can occur, consistent with previous approximate calculations; we find in addition that coexistence of several solids with a fluid phase is also possible

Fractionation effects in phase equilibria of polydisperse hard sphere colloids

The equilibrium phase behaviour of hard spheres with size polydispersity is studied theoretically. We solve numerically the exact phase equilibrium equations that result from accurate free energy expressions for the fluid and solid phases, while accounting fully for size fractionation between coexisting phases. Fluids up to the largest polydispersities that we can study (around 14%) can phase separate by splitting off a solid with a much narrower size distribution. This shows that experimentally observed terminal polydispersities above which phase separation no longer occurs must be due to non-equilibrium effects. We find no evidence of re-entrant melting; instead, sufficiently compressed solids phase separate into two or more solid phases. Under appropriate conditions, coexistence of multiple solids with a fluid phase is also predicted. The solids have smaller polydispersities than the parent phase as expected, while the reverse is true for the fluid phase, which contains predominantly smaller particles but also residual amounts of the larger ones. The properties of the coexisting phases are studied in detail; mean diameter, polydispersity and volume fraction of the phases all reveal marked fractionation. We also propose a method for constructing quantities that optimally distinguish between the coexisting phases, using Principal Component Analysis in the space of density distributions. We conclude by comparing our predictions to perturbative theories for near-monodisperse systems and to Monte Carlo simulations at imposed chemical potential distribution, and find excellent agreement.Comment: 21 pages, 23 figures, 2 table

Mobile particles in an immobile environment: Molecular Dynamics simulation of a binary Yukawa mixture

Molecular dynamics computer simulations are used to investigate thedynamics of a binary mixture of charged (Yukawa) particles with a size-ratio of 1:5. We find that the system undergoes a phase transition where the large particles crystallize while the small particles remain in a fluid-like (delocalized) phase. Upon decreasing temperature below the transition, the small particles become increasingly localized on intermediate time scales. This is reflected in the incoherent intermediate scattering functions by the appearance of a plateau with a growing height. At long times, the small particles show a diffusive hopping motion. We find that these transport properties are related to structural correlations and the single-particle potential energy distribution of the small particles.Comment: 7 pages, 5 figure

Maude: specification and programming in rewriting logic

Maude is a high-level language and a high-performance system supporting executable specification and declarative programming in rewriting logic. Since rewriting logic contains equational logic, Maude also supports equational specification and programming in its sublanguage of functional modules and theories. The underlying equational logic chosen for Maude is membership equational logic, that has sorts, subsorts, operator overloading, and partiality definable by membership and equality conditions. Rewriting logic is reflective, in the sense of being able to express its own metalevel at the object level. Reflection is systematically exploited in Maude endowing the language with powerful metaprogramming capabilities, including both user-definable module operations and declarative strategies to guide the deduction process. This paper explains and illustrates with examples the main concepts of Maude's language design, including its underlying logic, functional, system and object-oriented modules, as well as parameterized modules, theories, and views. We also explain how Maude supports reflection, metaprogramming and internal strategies. The paper outlines the principles underlying the Maude system implementation, including its semicompilation techniques. We conclude with some remarks about applications, work on a formal environment for Maude, and a mobile language extension of Maude

Millimetre continuum observations of comet C/2009 P1 (Garradd)

Little is known about the physical properties of the nuclei of Oort cloud comets. Measuring the thermal emission of a nucleus is one of the few means for deriving its size and constraining some of its thermal properties. We attempted to measure the nucleus size of the Oort cloud comet C/2009 P1 (Garradd). We used the Plateau de Bure Interferometer to measure the millimetric thermal emission of this comet at 157 GHz (1.9 mm) and 266 GHz (1.1 mm). Whereas the observations at 266 GHz were not usable due to bad atmospheric conditions, we derived a 3-sigma upper limit on the comet continuum emission of 0.41 mJy at 157 GHz. Using a thermal model for a spherical nucleus with standard thermal parameters, we found an upper limit of 5.6 km for the radius. The dust contribution to our signal is estimated to be negligible. Given the water production rates measured for this comet and our upper limit, we estimated that Garradd was very active, with an active fraction of its nucleus larger than 50%.Comment: Accepted for publication in Astronomy & Astrophysics. 5 pages, 2 figure