439 research outputs found
Exact factorization of correlation functions in 2-D critical percolation
By use of conformal field theory, we discover several exact factorizations of
higher-order density correlation functions in critical two-dimensional
percolation. Our formulas are valid in the upper half-plane, or any conformally
equivalent region. We find excellent agreement of our results with
high-precision computer simulations. There are indications that our formulas
hold more generally.Comment: 6 pages, 3 figures. Oral presentation given at STATPHYS 23. V2: Minor
additions and corrections, figures improve
Screening in Ionic Systems: Simulations for the Lebowitz Length
Simulations of the Lebowitz length, , are reported
for t he restricted primitive model hard-core (diameter ) 1:1 electrolyte
for densi ties and .
Finite-size eff ects are elucidated for the charge fluctuations in various
subdomains that serve to evaluate . On extrapolation to the
bulk limit for the low-density expansions (Bekiranov and
Fisher, 1998) are seen to fail badly when (with ). At highe r densities rises above the Debye
length, \xi_{\text{D}} \prop to \sqrt{T/\rho}, by 10-30% (upto ); the variation is portrayed fairly well by generalized
Debye-H\"{u}ckel theory (Lee and Fisher, 19 96). On approaching criticality at
fixed or fixed , remains finite with
but displays a
weak entropy-like singularity.Comment: 4 pages 5 figure
General solution of an exact correlation function factorization in conformal field theory
We discuss a correlation function factorization, which relates a three-point
function to the square root of three two-point functions. This factorization is
known to hold for certain scaling operators at the two-dimensional percolation
point and in a few other cases. The correlation functions are evaluated in the
upper half-plane (or any conformally equivalent region) with operators at two
arbitrary points on the real axis, and a third arbitrary point on either the
real axis or in the interior. This type of result is of interest because it is
both exact and universal, relates higher-order correlation functions to
lower-order ones, and has a simple interpretation in terms of cluster or loop
probabilities in several statistical models. This motivated us to use the
techniques of conformal field theory to determine the general conditions for
its validity.
Here, we discover a correlation function which factorizes in this way for any
central charge c, generalizing previous results. In particular, the
factorization holds for either FK (Fortuin-Kasteleyn) or spin clusters in the
Q-state Potts models; it also applies to either the dense or dilute phases of
the O(n) loop models. Further, only one other non-trivial set of highest-weight
operators (in an irreducible Verma module) factorizes in this way. In this case
the operators have negative dimension (for c < 1) and do not seem to have a
physical realization.Comment: 7 pages, 1 figure, v2 minor revision
Discretization Dependence of Criticality in Model Fluids: a Hard-core Electrolyte
Grand canonical simulations at various levels, -20, of fine- lattice
discretization are reported for the near-critical 1:1 hard-core electrolyte or
RPM. With the aid of finite-size scaling analyses it is shown convincingly
that, contrary to recent suggestions, the universal critical behavior is
independent of (\grtsim 4); thus the continuum RPM
exhibits Ising-type (as against classical, SAW, XY, etc.) criticality. A
general consideration of lattice discretization provides effective
extrapolation of the {\em intrinsically} erratic -dependence, yielding
(\Tc^ {\ast},\rhoc^{\ast})\simeq (0.0493_{3},0.075) for the
RPM.Comment: 4 pages including 4 figure
Ionic fluids: charge and density correlations near gas-liquid criticality
The correlation functions of an ionic fluid with charge and size asymmetry
are studied within the framework of the random phase approximation. The results
obtained for the charge-charge correlation function demonstrate that the
second-moment Stillinger-Lovett (SL) rule is satisfied away from the gas-liquid
critical point (CP) but not, in general, at the CP. However in the special case
of a model without size assymetry the SL rules are satisfied even at the CP.
The expressions for the density-density and charge-density correlation
functions valid far and close to the CP are obtained explicitely
Density Fluctuations in an Electrolyte from Generalized Debye-Hueckel Theory
Near-critical thermodynamics in the hard-sphere (1,1) electrolyte is well
described, at a classical level, by Debye-Hueckel (DH) theory with (+,-) ion
pairing and dipolar-pair-ionic-fluid coupling. But DH-based theories do not
address density fluctuations. Here density correlations are obtained by
functional differentiation of DH theory generalized to {\it non}-uniform
densities of various species. The correlation length diverges universally
at low density as (correcting GMSA theory). When
one has as
where the amplitudes compare informatively with experimental data.Comment: 5 pages, REVTeX, 1 ps figure included with epsf. Minor changes,
references added. Accepted for publication in Phys. Rev. Let
The density functional theory of classical fluids revisited
We reconsider the density functional theory of nonuniform classical fluids
from the point of view of convex analysis. From the observation that the
logarithm of the grand-partition function is a convex
functional of the external potential it is shown that the Kohn-Sham free
energy is a convex functional of the density . and constitute a pair of Legendre transforms and each
of these functionals can therefore be obtained as the solution of a variational
principle. The convexity ensures the unicity of the solution in both cases. The
variational principle which gives as the maximum of a
functional of is precisely that considered in the density functional
theory while the dual principle, which gives as the maximum of
a functional of seems to be a new result.Comment: 10 page
Implementation of the Hierarchical Reference Theory for simple one-component fluids
Combining renormalization group theoretical ideas with the integral equation
approach to fluid structure and thermodynamics, the Hierarchical Reference
Theory is known to be successful even in the vicinity of the critical point and
for sub-critical temperatures. We here present a software package independent
of earlier programs for the application of this theory to simple fluids
composed of particles interacting via spherically symmetrical pair potentials,
restricting ourselves to hard sphere reference systems. Using the hard-core
Yukawa potential with z=1.8/sigma for illustration, we discuss our
implementation and the results it yields, paying special attention to the core
condition and emphasizing the decoupling assumption's role.Comment: RevTeX, 16 pages, 2 figures. Minor changes, published versio
Asymmetric Primitive-Model Electrolytes: Debye-Huckel Theory, Criticality and Energy Bounds
Debye-Huckel (DH) theory is extended to treat two-component size- and
charge-asymmetric primitive models, focussing primarily on the 1:1 additive
hard-sphere electrolyte with, say, negative ion diameters, a--, larger than the
positive ion diameters, a++. The treatment highlights the crucial importance of
the charge-unbalanced ``border zones'' around each ion into which other ions of
only one species may penetrate. Extensions of the DH approach which describe
the border zones in a physically reasonable way are exact at high and low
density, , and, furthermore, are also in substantial agreement with
recent simulation predictions for \emph{trends} in the critical parameters,
and , with increasing size asymmetry. Conversely, the simplest
linear asymmetric DH description, which fails to account for physically
expected behavior in the border zones at low , can violate a new lower bound
on the energy (which applies generally to models asymmetric in both charge and
size). Other recent theories, including those based on the mean spherical
approximation, have predicted trends in the critical parameters quite opposite
to those established by the simulations.Comment: to appear in Physical Review
Equilibrium solvation in quadrupolar solvents
We present a microscopic theory of equilibrium solvation in solvents with
zero dipole moment and non-zero quadrupole moment (quadrupolar solvents). The
theory is formulated in terms of autocorrelation functions of the quadrupolar
polarization (structure factors). It can be therefore applied to an arbitrary
dense quadrupolar solvent for which the structure factors are defined. We
formulate a simple analytical perturbation treatment for the structure factors.
The solute is described by coordinates, radii, and partial charges of
constituent atoms. The theory is tested on Monte Carlo simulations of solvation
in model quadrupolar solvents. It is also applied to the calculation of the
activation barrier of electron transfer reactions in a cleft-shaped
donor-acceptor complex dissolved in benzene with the structure factors of
quadrupolar polarization obtained from Molecular Dynamics simulations.Comment: Submitted to J. Chem. Phys., 20 pages and 13 figure
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