1,251 research outputs found
The fluid-fluid interface in a model colloid-polymer mixture: Application of grand canonical Monte Carlo to asymmetric binary mixtures
We present a Monte Carlo method to simulate asymmetric binary mixtures in the
grand canonical ensemble. The method is used to study the colloid-polymer model
of Asakura and Oosawa. We determine the phase diagram of the fluid-fluid
unmixing transition and the interfacial tension, both at high polymer density
and close to the critical point. We also present density profiles in the
two-phase region. The results are compared to predictions of a recent density
functional theory.Comment: 4 pages, 4 figure
Self-assembly and crystallisation of indented colloids at a planar wall
We report experimental and simulation studies of the structure of a monolayer
of indented ("lock and key") colloids, on a planar surface. On adding a
non-absorbing polymer with prescribed radius and volume fraction, depletion
interactions are induced between the colloids, with controlled range and
strength. For spherical particles, this leads to crystallisation, but the
indented colloids crystallise less easily than spheres, in both simulation and
experiment. Nevertheless, simulations show that indented colloids do form
plastic (rotator) crystals. We discuss the conditions under which this occurs,
and the possibilities of lower-symmetry crystal states. We also comment on the
kinetic accessibility of these states.Comment: 8 pages, 8 figure
Phase behavior of a fluid with competing attractive and repulsive interactions
Fluids in which the interparticle potential has a hard core, is attractive at
moderate separations, and repulsive at greater separations are known to exhibit
novel phase behavior, including stable inhomogeneous phases. Here we report a
joint simulation and theoretical study of such a fluid, focusing on the
relationship between the liquid-vapor transition line and any new phases. The
phase diagram is studied as a function of the amplitude of the attraction for a
certain fixed amplitude of the long ranged repulsion. We find that the effect
of the repulsion is to substitute the liquid-vapor critical point and a portion
of the associated liquid-vapor transition line, by two first order transitions.
One of these transitions separates the vapor from a fluid of spherical
liquidlike clusters; the other separates the liquid from a fluid of spherical
voids. At low temperature, the two transition lines intersect one another and a
vapor-liquid transition line at a triple point. While most integral equation
theories are unable to describe the new phase transitions, the Percus Yevick
approximation does succeed in capturing the vapor-cluster transition, as well
as aspects of the structure of the cluster fluid, in reasonable agreement with
the simulation results.Comment: 15 pages, 20 figure
Free energies of crystalline solids: a lattice-switch Monte Carlo method
We present a method for the direct evaluation of the difference between the
free energies of two crystalline structures, of different symmetry. The method
rests on a Monte Carlo procedure which allows one to sample along a path,
through atomic-displacement-space, leading from one structure to the other by
way of an intervening transformation that switches one set of lattice vectors
for another. The configurations of both structures can thus be sampled within a
single Monte Carlo process, and the difference between their free energies
evaluated directly from the ratio of the measured probabilities of each. The
method is used to determine the difference between the free energies of the fcc
and hcp crystalline phases of a system of hard spheres.Comment: 5 pages Revtex, 3 figure
Interfacial tension of the isotropic--nematic interface in suspensions of soft spherocylinders
The isotropic to nematic transition in a system of soft spherocylinders is
studied by means of grand canonical Monte Carlo simulations. The probability
distribution of the particle density is used to determine the coexistence
density of the isotropic and the nematic phases. The distributions are also
used to compute the interfacial tension of the isotropic--nematic interface,
including an analysis of finite size effects. Our results confirm that the
Onsager limit is not recovered until for very large elongation, exceeding at
least L/D=40, with L the spherocylinder length and D the diameter. For smaller
elongation, we find that the interfacial tension increases with increasing L/D,
in agreement with theoretical predictions.Comment: 8 pages, 7 figures, and also 1 tabl
The Lennard-Jones-Devonshire cell model revisited
We reanalyse the cell theory of Lennard-Jones and Devonshire and find that in
addition to the critical point originally reported for the 12-6 potential (and
widely quoted in standard textbooks), the model exhibits a further critical
point. We show that the latter is actually a more appropriate candidate for
liquid-gas criticality than the original critical point.Comment: 5 pages, 3 figures, submitted to Mol. Phy
Wetting of a symmetrical binary fluid mixture on a wall
We study the wetting behaviour of a symmetrical binary fluid below the
demixing temperature at a non-selective attractive wall. Although it demixes in
the bulk, a sufficiently thin liquid film remains mixed. On approaching
liquid/vapour coexistence, however, the thickness of the liquid film increases
and it may demix and then wet the substrate. We show that the wetting
properties are determined by an interplay of the two length scales related to
the density and the composition fluctuations. The problem is analysed within
the framework of a generic two component Ginzburg-Landau functional
(appropriate for systems with short-ranged interactions). This functional is
minimized both numerically and analytically within a piecewise parabolic
potential approximation. A number of novel surface transitions are found,
including first order demixing and prewetting, continuous demixing, a
tricritical point connecting the two regimes, or a critical end point beyond
which the prewetting line separates a strongly and a weakly demixed film. Our
results are supported by detailed Monte Carlo simulations of a symmetrical
binary Lennard-Jones fluid at an attractive wall.Comment: submitted to Phys. Rev.
Critical phenomena in colloid-polymer mixtures: interfacial tension, order parameter, susceptibility and coexistence diameter
The critical behavior of a model colloid-polymer mixture, the so-called AO
model, is studied using computer simulations and finite size scaling
techniques. Investigated are the interfacial tension, the order parameter, the
susceptibility and the coexistence diameter. Our results clearly show that the
interfacial tension vanishes at the critical point with exponent 2\nu ~ 1.26.
This is in good agreement with the 3D Ising exponent. Also calculated are
critical amplitude ratios, which are shown to be compatible with the
corresponding 3D Ising values. We additionally identify a number of subtleties
that are encountered when finite size scaling is applied to the AO model. In
particular, we find that the finite size extrapolation of the interfacial
tension is most consistent when logarithmic size dependences are ignored. This
finding is in agreement with the work of Berg et al.[Phys. Rev. B, V47 P497
(1993)]Comment: 13 pages, 16 figure
Are critical finite-size scaling functions calculable from knowledge of an appropriate critical exponent?
Critical finite-size scaling functions for the order parameter distribution
of the two and three dimensional Ising model are investigated. Within a
recently introduced classification theory of phase transitions, the universal
part of the critical finite-size scaling functions has been derived by
employing a scaling limit that differs from the traditional finite-size scaling
limit. In this paper the analytical predictions are compared with Monte Carlo
simulations. We find good agreement between the analytical expression and the
simulation results. The agreement is consistent with the possibility that the
functional form of the critical finite-size scaling function for the order
parameter distribution is determined uniquely by only a few universal
parameters, most notably the equation of state exponent.Comment: 11 pages postscript, plus 2 separate postscript figures, all as
uuencoded gzipped tar file. To appear in J. Phys. A
Influence of polydispersity on the critical parameters of an effective potential model for asymmetric hard sphere mixtures
We report a Monte Carlo simulation study of the properties of highly
asymmetric binary hard sphere mixtures. This system is treated within an
effective fluid approximation in which the large particles interact through a
depletion potential (R. Roth {\em et al}, Phys. Rev. E{\bf 62} 5360 (2000))
designed to capture the effects of a virtual sea of small particles. We
generalize this depletion potential to include the effects of explicit size
dispersity in the large particles and consider the case in which the particle
diameters are distributed according to a Schulz form having degree of
polydispersity 14%. The resulting alteration (with respect to the monodisperse
limit) of the metastable fluid-fluid critical point parameters is determined
for two values of the ratio of the diameters of the small and large particles:
and . We find that inclusion of
polydispersity moves the critical point to lower reservoir volume fractions of
the small particles and high volume fractions of the large ones. The estimated
critical point parameters are found to be in good agreement with those
predicted by a generalized corresponding states argument which provides a link
to the known critical adhesion parameter of the adhesive hard sphere model.
Finite-size scaling estimates of the cluster percolation line in the one phase
fluid region indicate that inclusion of polydispersity moves the critical point
deeper into the percolating regime. This suggests that phase separation is more
likely to be preempted by dynamical arrest in polydisperse systems.Comment: 11 pages, 10 figure
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