49,578 research outputs found
How `sticky' are short-range square-well fluids?
The aim of this work is to investigate to what extent the structural
properties of a short-range square-well (SW) fluid of range at a
given packing fraction and reduced temperature can be represented by those of a
sticky-hard-sphere (SHS) fluid at the same packing fraction and an effective
stickiness parameter . Such an equivalence cannot hold for the radial
distribution function since this function has a delta singularity at contact in
the SHS case, while it has a jump discontinuity at in the SW case.
Therefore, the equivalence is explored with the cavity function .
Optimization of the agreement between y_{\sw} and y_{\shs} to first order
in density suggests the choice for . We have performed Monte Carlo (MC)
simulations of the SW fluid for , 1.02, and 1.01 at several
densities and temperatures such that , 0.2, and 0.5. The
resulting cavity functions have been compared with MC data of SHS fluids
obtained by Miller and Frenkel [J. Phys: Cond. Matter 16, S4901 (2004)].
Although, at given values of and , some local discrepancies
between y_{\sw} and y_{\shs} exist (especially for ), the SW
data converge smoothly toward the SHS values as decreases. The
approximate mapping y_{\sw}\to y_{\shs} is exploited to estimate the internal
energy and structure factor of the SW fluid from those of the SHS fluid. Taking
for y_{\shs} the solution of the Percus--Yevick equation as well as the
rational-function approximation, the radial distribution function of the
SW fluid is theoretically estimated and a good agreement with our MC
simulations is found. Finally, a similar study is carried out for short-range
SW fluid mixtures.Comment: 14 pages, including 3 tables and 14 figures; v2: typo in Eq. (5.1)
corrected, Fig. 14 redone, to be published in JC
Fourth virial coefficients of asymmetric nonadditive hard-disc mixtures
The fourth virial coefficient of asymmetric nonadditive binary mixtures of
hard disks is computed with a standard Monte Carlo method. Wide ranges of size
ratio () and nonadditivity () are
covered. A comparison is made between the numerical results and those that
follow from some theoretical developments. The possible use of these data in
the derivation of new equations of state for these mixtures is illustrated by
considering a rescaled virial expansion truncated to fourth order. The
numerical results obtained using this equation of state are compared with Monte
Carlo simulation data in the case of a size ratio and two
nonadditivities .Comment: 9 pages, 7 figures; v2: section on equation of state added; tables
moved to supplementary material
(http://jcp.aip.org/resource/1/jcpsa6/v136/i18/p184505_s1#artObjSF
Ion specificity and the theory of stability of colloidal suspensions
A theory is presented which allow us to accurately calculate the critical
coagulation concentration (CCC) of hydrophobic colloidal suspensions. For
positively charged particles the CCC's follow the Hofmeister (lyotropic)
series. For negatively charged particles the series is reversed. We find that
strongly polarizable chaotropic anions are driven towards the colloidal surface
by electrostatic and hydrophobic forces. Within approximately one ionic radius
from the surface, the chaotropic anions loose part of their hydration sheath
and become strongly adsorbed. The kosmotropic anions, on the other hand, are
repelled from the hydrophobic surface. The theory is quantitatively accurate
without any adjustable parameters. We speculate that the same mechanism is
responsible for the Hofmeister series that governs stability of protein
solutions.Comment: Phys. Rev. Lett. (in press
Influence of chirping the Raman lasers in an atom gravimeter: phase shifts due to the Raman light shift and to the finite speed of light
We present here an analysis of the influence of the frequency dependence of
the Raman laser light shifts on the phase of a Raman-type atom gravimeter.
Frequency chirps are applied to the Raman lasers in order to compensate gravity
and ensure the resonance of the Raman pulses during the interferometer. We show
that the change in the Raman light shift when this chirp is applied only to one
of the two Raman lasers is enough to bias the gravity measurement by a fraction
of Gal (Gal~=~~m/s). We also show that this effect is
not compensated when averaging over the two directions of the Raman wavevector
. This thus constitutes a limit to the rejection efficiency of the
-reversal technique. Our analysis allows us to separate this effect from the
effect of the finite speed of light, which we find in perfect agreement with
expected values. This study highlights the benefit of chirping symmetrically
the two Raman lasers
Three-dimensional quasi-Tonks gas in a harmonic trap
We analyze the macroscopic dynamics of a Bose gas in a harmonic trap with a
superimposed two-dimensional optical lattice, assuming a weak coupling between
different lattice sites. We consider the situation in which the local chemical
potential at each lattice site can be considered as that provided by the
Lieb-Liniger solution. Due to the weak coupling between sites and the form of
the chemical potential, the three-dimensional ground-state density profile and
the excitation spectrum acquire remarkable properties different from both 1D
and 3D gases. We call this system a quasi-Tonks gas. We discuss the range of
applicability of this regime, as well as realistic experimental situations
where it can be observed.Comment: 4 pages, 3 figures, misprints correcte
The self-consistent quantum-electrostatic problem in strongly non-linear regime
The self-consistent quantum-electrostatic (also known as
Poisson-Schr\"odinger) problem is notoriously difficult in situations where the
density of states varies rapidly with energy. At low temperatures, these
fluctuations make the problem highly non-linear which renders iterative schemes
deeply unstable. We present a stable algorithm that provides a solution to this
problem with controlled accuracy. The technique is intrinsically convergent
including in highly non-linear regimes. We illustrate our approach with (i) a
calculation of the compressible and incompressible stripes in the integer
quantum Hall regime and (ii) a calculation of the differential conductance of a
quantum point contact geometry. Our technique provides a viable route for the
predictive modeling of the transport properties of quantum nanoelectronics
devices.Comment: 28 pages. 14 figures. Added solution to a potential failure mode of
the algorith
- …