1,570 research outputs found
Ally or acquire?:non-organic growth strategy and decision model for the international real estate developer : an explorative study
Microscopic theory for interface fluctuations in binary liquid mixtures
Thermally excited capillary waves at fluid interfaces in binary liquid
mixtures exhibit simultaneously both density and composition fluctuations.
Based on a density functional theory for inhomogeneous binary liquid mixtures
we derive an effective wavelength dependent Hamiltonian for fluid interfaces in
these systems beyond the standard capillary-wave model. Explicit expressions
are obtained for the surface tension, the bending rigidities, and the coupling
constants of compositional capillary waves in terms of the profiles of the two
number densities characterizing the mixture. These results lead to predictions
for grazing-incidence x-ray scattering experiments at such interfaces.Comment: 23 pages, 11 figure
Density functional theory of inhomogeneous liquids. I. The liquid-vapor interface in Lennard-Jones fluids
A simple model is proposed for the direct correlation function (DCF) for
simple fluids consisting of a hard-core contribution, a simple parametrized
core correction, and a mean-field tail. The model requires as input only the
free energy of the homogeneous fluid, obtained, e.g., from thermodynamic
perturbation theory. Comparison to the DCF obtained from simulation of a
Lennard-Jones fluid shows this to be a surprisingly good approximation for a
wide range of densities. The model is used to construct a density functional
theory for inhomogeneous fluids which is applied to the problem of calculating
the surface tension of the liquid-vapor interface. The numerical values found
are in good agreement with simulation
Mapping a Homopolymer onto a Model Fluid
We describe a linear homopolymer using a Grand Canonical ensemble formalism,
a statistical representation that is very convenient for formal manipulations.
We investigate the properties of a system where only next neighbor interactions
and an external, confining, field are present, and then show how a general pair
interaction can be introduced perturbatively, making use of a Mayer expansion.
Through a diagrammatic analysis, we shall show how constitutive equations
derived for the polymeric system are equivalent to the Ornstein-Zernike and
P.Y. equations for a simple fluid, and find the implications of such a mapping
for the simple situation of Van der Waals mean field model for the fluid.Comment: 12 pages, 3 figure
A novel method for evaluating the critical nucleus and the surface tension in systems with first order phase transition
We introduce a novel method for calculating the size of the critical nucleus
and the value of the surface tension in systems with first order phase
transition. The method is based on classical nucleation theory, and it consists
in studying the thermodynamics of a sphere of given radius embedded in a frozen
metastable surrounding. The frozen configuration creates a pinning field on the
surface of the free sphere. The pinning field forces the sphere to stay in the
metastable phase as long as its size is smaller than the critical nucleus. We
test our method in two first-order systems, both on a two-dimensional lattice:
a system where the parameter tuning the transition is the magnetic field, and a
second system where the tuning parameter is the temperature. In both cases the
results are satisfying. Unlike previous techniques, our method does not require
an infinite volume limit to compute the surface tension, and it therefore gives
reliable estimates even by using relatively small systems. However, our method
cannot be used at, or close to, the critical point, i.e. at coexistence, where
the critical nucleus becomes infinitely large.Comment: 12 pages, 15 figure
Theory of Structural Glasses and Supercooled Liquids
We review the Random First Order Transition Theory of the glass transition,
emphasizing the experimental tests of the theory. Many distinct phenomena are
quantitatively predicted or explained by the theory, both above and below the
glass transition temperature . These include: the viscosity catastrophe
and heat capacity jump at , and their connection; the non-exponentiality
of relaxations and their correlation with the fragility; dynamic heterogeneity
in supercooled liquids owing to the mosaic structure; deviations from the
Vogel-Fulcher law, connected with strings or fractral cooperative
rearrangements; deviations from the Stokes-Einstein relation close to ;
aging, and its correlation with fragility; the excess density of states at
cryogenic temperatures due to two level tunneling systems and the Boson Peak.Comment: submitted to Ann. Rev. Phys. Che
Density Functional Theory of Inhomogeneous Liquids: II. A Fundamental Measure Approach
Previously, it has been shown that the direct correlation function for a
Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a
mean-field tail and a simple linear correction in the core region constructed
so as to reproduce the (known) bulk equation of state of the fluid(Lutsko, JCP
127, 054701 (2007)). Here, this model is combined with ideas from Fundamental
Measure Theory to construct a density functional theory for the free energy.
The theory is shown to accurately describe a range of inhomogeneous conditions
including the liquid-vapor interface, the fluid in contact with a hard wall and
a fluid confined in a slit pore. The theory gives quantitatively accurate
predictions for the surface tension, including its dependence on the potential
cutoff. It also obeys two important exact conditions: that relating the direct
correlation function to the functional derivative of the free energy with
respect to density, and the wall theorem.Comment: to appear in J. Chem. Phy
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