A fundamental measure theory for the sticky hard sphere fluid

We construct a density functional theory (DFT) for the sticky hard sphere (SHS) fluid which, like Rosenfeld's fundamental measure theory (FMT) for the hard sphere fluid [Phys. Rev. Lett. {\bf 63}, 980 (1989)], is based on a set of weighted densities and an exact result from scaled particle theory (SPT). It is demonstrated that the excess free energy density of the inhomogeneous SHS fluid $\Phi_{\text{SHS}}$ is uniquely defined when (a) it is solely a function of the weighted densities from Kierlik and Rosinberg's version of FMT [Phys. Rev. A {\bf 42}, 3382 (1990)], (b) it satisfies the SPT differential equation, and (c) it yields any given direct correlation function (DCF) from the class of generalized Percus-Yevick closures introduced by Gazzillo and Giacometti [J. Chem. Phys. {\bf 120}, 4742 (2004)]. The resulting DFT is shown to be in very good agreement with simulation data. In particular, this FMT yields the correct contact value of the density profiles with no adjustable parameters. Rather than requiring higher order DCFs, such as perturbative DFTs, our SHS FMT produces them. Interestingly, although equivalent to Kierlik and Rosinberg's FMT in the case of hard spheres, the set of weighted densities used for Rosenfeld's original FMT is insufficient for constructing a DFT which yields the SHS DCF.Comment: 11 pages, 3 figure

Entropy scaling laws for diffusion

Comment to the letter of Samanta et al., Phys. Rev. Lett. 92, 145901 (2004).Comment: 2 pages, 1 figur

Co- and counter-helicity interaction between two adjacent laboratory prominences

The interaction between two side-by-side solar prominence-like plasmas has been studied using a four-electrode magnetized plasma source that can impose a wide variety of surface boundary conditions. When the source is arranged to create two prominences with the same helicity (co-helicity), it is observed that helicity transfer from one prominence to the other causes the receiving prominence to erupt sooner and faster than the transmitting prominence. When the source is arranged to create two prominences with opposite helicity (counter-helicity), it is observed that upon merging, prominences wrap around each other to form closely spaced, writhing turns of plasma. This is followed by appearance of a distinct bright region in the middle and order of magnitude higher emission of soft x rays. The four-electrode device has also been used to change the angle of the neutral line and so form more pronounced S-shapes

On the nonlocal viscosity kernel of mixtures

In this report we investigate the multiscale hydrodynamical response of a liquid as a function of mixture composition. This is done via a series of molecular dynamics simulations where the wave vector dependent viscosity kernel is computed for three mixtures each with 7-15 different compositions. We observe that the nonlocal viscosity kernel is dependent on composition for simple atomic mixtures for all the wave vectors studied here, however, for a model polymer melt mixture the kernel is independent of composition for large wave vectors. The deviation from ideal mixing is also studied. Here it is shown that a Lennard-Jones mixture follows the ideal mixing rule surprisingly well for a large range of wave vectors, whereas for both the Kob-Andersen mixture and the polymer melt large deviations are found. Furthermore, for the polymer melt the deviation is wave vector dependent such that there exists a critical length scale at which the ideal mixing goes from under-estimating to over-estimating the viscosity

Hydrophobic interactions with coarse-grained model for water

Integral equation theory is applied to a coarse-grained model of water to study potential of mean force between hydrophobic solutes. Theory is shown to be in good agreement with the available simulation data for methane-methane and fullerene-fullerene potential of mean force in water; the potential of mean force is also decomposed into its entropic and enthalpic contributions. Mode coupling theory is employed to compute self-diffusion coefficient of water, as well as diffusion coefficient of a dilute hydrophobic solute; good agreement with molecular dynamics simulation results is found

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

First-order layering and critical wetting transitions in non-additive hard sphere mixtures

Using fundamental-measure density functional theory we investigate entropic wetting in an asymmetric binary mixture of hard spheres with positive non-additivity. We consider a general planar hard wall, where preferential adsorption is induced by a difference in closest approach of the different species and the wall. Close to bulk fluid-fluid coexistence the phase rich in the minority component adsorbs either through a series of first-order layering transitions, where an increasing number of liquid layers adsorbs sequentially, or via a critical wetting transition, where a thick film grows continuously.Comment: 4 pages, 4 figure

Temperature equilibration in a fully ionized plasma: electron-ion mass ratio effects

Brown, Preston, and Singleton (BPS) produced an analytic calculation for energy exchange processes for a weakly to moderately coupled plasma: the electron-ion temperature equilibration rate and the charged particle stopping power. These precise calculations are accurate to leading and next-to-leading order in the plasma coupling parameter, and to all orders for two-body quantum scattering within the plasma. Classical molecular dynamics can provide another approach that can be rigorously implemented. It is therefore useful to compare the predictions from these two methods, particularly since the former is theoretically based and the latter numerically. An agreement would provide both confidence in our theoretical machinery and in the reliability of the computer simulations. The comparisons can be made cleanly in the purely classical regime, thereby avoiding the arbitrariness associated with constructing effective potentials to mock up quantum effects. We present here the classical limit of the general result for the temperature equilibration rate presented in BPS. We examine the validity of the m_electron/m_ion --> 0 limit used in BPS to obtain a very simple analytic evaluation of the long-distance, collective effects in the background plasma.Comment: 14 pages, 4 figures, small change in titl

Dielectric response of a polar fluid trapped in a spherical nanocavity

We present extensive Molecular Dynamics simulation results for the structure, static and dynamical response of a droplet of 1000 soft spheres carrying extended dipoles and confined to spherical cavities of radii $R=2.5$, 3, and 4 nm embedded in a dielectric continuum of permittivity $\epsilon' \geq 1$. The polarisation of the external medium by the charge distribution inside the cavity is accounted for by appropriate image charges. We focus on the influence of the external permittivity $\epsilon'$ on the static and dynamic properties of the confined fluid. The density profile and local orientational order parameter of the dipoles turn out to be remarkably insensitive to $\epsilon'$. Permittivity profiles $\epsilon(r)$ inside the spherical cavity are calculated from a generalised Kirkwood formula. These profiles oscillate in phase with the density profiles and go to a ``bulk'' value $\epsilon_b$ away from the confining surface; $\epsilon_b$ is only weakly dependent on $\epsilon'$, except for $\epsilon' = 1$ (vacuum), and is strongly reduced compared to the permittivity of a uniform (bulk) fluid under comparable thermodynamic conditions. The dynamic relaxation of the total dipole moment of the sample is found to be strongly dependent on $\epsilon'$, and to exhibit oscillatory behaviour when $\epsilon'=1$; the relaxation is an order of magnitude faster than in the bulk. The complex frequency-dependent permittivity $\epsilon(\omega)$ is sensitive to $\epsilon'$ at low frequencies, and the zero frequency limit $\epsilon(\omega=0)$ is systematically lower than the ``bulk'' value $\epsilon_b$ of the static primitivity.Comment: 12 pages including 17 figure