59,748 research outputs found
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
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
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
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
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 , 3, and 4
nm embedded in a dielectric continuum of permittivity . 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 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 .
Permittivity profiles 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 away from the
confining surface; is only weakly dependent on , except
for (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 , and to exhibit oscillatory behaviour when
; the relaxation is an order of magnitude faster than in the bulk.
The complex frequency-dependent permittivity is sensitive to
at low frequencies, and the zero frequency limit
is systematically lower than the ``bulk'' value
of the static primitivity.Comment: 12 pages including 17 figure
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