53,703 research outputs found
Contact values of the particle-particle and wall-particle correlation functions in a hard-sphere polydisperse fluid
The contact values of the radial distribution functions
of a fluid of (additive) hard spheres with a given size distribution
are considered. A ``universality'' assumption is introduced,
according to which, at a given packing fraction ,
, where is a common function
independent of the number of components (either finite or infinite) and
is a
dimensionless parameter, being the -th moment of the diameter
distribution. A cubic form proposal for the -dependence of is made and
known exact consistency conditions for the point particle and equal size
limits, as well as between two different routes to compute the pressure of the
system in the presence of a hard wall, are used to express in terms of
the radial distribution at contact of the one-component system. For
polydisperse systems we compare the contact values of the wall-particle
correlation function and the compressibility factor with those obtained from
recent Monte Carlo simulations.Comment: 9 pages, 7 figure
Pair correlation function of short-ranged square-well fluids
We have performed extensive Monte Carlo simulations in the canonical (NVT)
ensemble of the pair correlation function for square-well fluids with well
widths ranging from 0.1 to 1.0, in units of the diameter
of the particles. For each one of these widths, several densities and
temperatures in the ranges and
, where is the
critical temperature, have been considered. The simulation data are used to
examine the performance of two analytical theories in predicting the structure
of these fluids: the perturbation theory proposed by Tang and Lu [Y. Tang and
B. C.-Y. Lu, J. Chem. Phys. {\bf 100}, 3079, 6665 (1994)] and the
non-perturbative model proposed by two of us [S. B. Yuste and A. Santos, J.
Chem. Phys. {\bf 101}, 2355 (1994)]. It is observed that both theories
complement each other, as the latter theory works well for short ranges and/or
moderate densities, while the former theory does for long ranges and high
densities.Comment: 10 pages, 10 figure
Disordered two-dimensional superconductors: roles of temperature and interaction strength
We have considered the half-filled disordered attractive Hubbard model on a
square lattice, in which the on-site attraction is switched off on a fraction
of sites, while keeping a finite on the remaining ones. Through Quantum
Monte Carlo (QMC) simulations for several values of and , and for system
sizes ranging from to , we have calculated the
configurational averages of the equal-time pair structure factor , and,
for a more restricted set of variables, the helicity modulus, , as
functions of temperature. Two finite-size scaling {\it ansatze} for have
been used, one for zero-temperature and the other for finite temperatures. We
have found that the system sustains superconductivity in the ground state up to
a critical impurity concentration, , which increases with , at least up
to U=4 (in units of the hopping energy). Also, the normalized zero-temperature
gap as a function of shows a maximum near , for . Analyses of the helicity modulus and of the pair structure factor
led to the determination of the critical temperature as a function of , for
4 and 6: they also show maxima near , with the highest
increasing with in this range. We argue that, overall, the observed
behavior results from both the breakdown of CDW-superconductivity degeneracy
and the fact that free sites tend to "push" electrons towards attractive sites,
the latter effect being more drastic at weak couplings.Comment: 9 two-column pages, 14 figures, RevTe
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