51 research outputs found
Critical point calculation for binary mixtures of symmetric non-additive hard disks
We have calculated the values of critical packing fractions for the mixtures
of symmetric non-additive hard disks. An interesting feature of the model is
the fact that the internal energy is zero and the phase transitions are
entropically driven. A cluster algorithm for Monte Carlo simulations in a
semigrand ensemble was used. The finite size scaling analysis was employed to
compute the critical packing fractions for infinite systems with high accuracy
for a range of non-additivity parameters wider than in the previous studies.Comment: 8 pages, 4 figure
Mesoscopic theory for size- and charge- asymmetric ionic systems. I. Case of extreme asymmetry
A mesoscopic theory for the primitive model of ionic systems is developed for
arbitrary size, , and charge, ,
asymmetry. Our theory is an extension of the theory we developed earlier for
the restricted primitive model. The case of extreme asymmetries
and is studied in some detail in a mean-field
approximation. The phase diagram and correlation functions are obtained in the
asymptotic regime and , and for infinite
dilution of the larger ions (volume fraction or less). We find a
coexistence between a very dilute 'gas' phase and a crystalline phase in which
the macroions form a bcc structure with the lattice constant . Such coexistence was observed experimentally in deionized aqueous
solutions of highly charged colloidal particles
Tetrahedral Symmetry in Ground- and Low-Lying States of Exotic A ~ 110 Nuclei
Recent theoretical calculations predict a possible existence of nuclei with
tetrahedral symmetry: more precisely, the mean-field hamiltonians of such
nuclei are symmetric with respect to double point-group Td. In this paper, we
focus on the neutron-rich Zirconium isotopes as an example and present
realistic mean-field calculations which predict tetrahedral ground-state
configurations in 108,110Zr and low-lying excited states of tetrahedral
symmetry in a number of N > 66 isotopes. The motivations for focusing on these
nuclei, as well as a discussion of the possible experimental signatures of
tetrahedral symmetry are also presented.Comment: Accepted in Phys. Rev. C - Rapid Communication
Field theory for size- and charge asymmetric primitive model of electrolytes. Mean-field stability analysis and pretransitional effects
The primitive model of ionic systems is investigated within a field-theoretic
description for the whole range of size-, \lambda, and charge, Z, ratios of the
two ionic species. Two order parameters (OP) are identified, and their
relations to physically relevant quantities are described for various values of
\lambda and Z. Instabilities of the disordered phase associated with the two
OP's are determined in the mean-field approximation.
A gas-liquid separation occurs for any Z and \lambda different from 1. In
addition, an instability with respect to various types of periodic ordering of
the two kinds of ions is found
Strong-Segregation Theory of Bicontinuous Phases in Block Copolymers
We compute phase diagrams for starblock copolymers in the
strong-segregation regime as a function of volume fraction , including
bicontinuous phases related to minimal surfaces (G, D, and P surfaces) as
candidate structures. We present the details of a general method to compute
free energies in the strong segregation limit, and demonstrate that the gyroid
G phase is the most nearly stable among the bicontinuous phases considered. We
explore some effects of conformational asymmetry on the topology of the phase
diagram.Comment: 14 pages, latex, 21 figures, to appear in Macromolecule
Fluctuations of elastic interfaces in fluids: Theory and simulation
We study the dynamics of elastic interfaces-membranes-immersed in thermally
excited fluids. The work contains three components: the development of a
numerical method, a purely theoretical approach, and numerical simulation. In
developing a numerical method, we first discuss the dynamical coupling between
the interface and the surrounding fluids. An argument is then presented that
generalizes the single-relaxation time lattice-Boltzmann method for the
simulation of hydrodynamic interfaces to include the elastic properties of the
boundary. The implementation of the new method is outlined and it is tested by
simulating the static behavior of spherical bubbles and the dynamics of bending
waves. By means of the fluctuation-dissipation theorem we recover analytically
the equilibrium frequency power spectrum of thermally fluctuating membranes and
the correlation function of the excitations. Also, the non-equilibrium scaling
properties of the membrane roughening are deduced, leading us to formulate a
scaling law describing the interface growth, W^2(L,T)=L^3 g[t/L^(5/2)], where
W, L and T are the width of the interface, the linear size of the system and
the temperature respectively, and g is a scaling function. Finally, the
phenomenology of thermally fluctuating membranes is simulated and the frequency
power spectrum is recovered, confirming the decay of the correlation function
of the fluctuations. As a further numerical study of fluctuating elastic
interfaces, the non-equilibrium regime is reproduced by initializing the system
as an interface immersed in thermally pre-excited fluids.Comment: 15 pages, 11 figure
Self-Assembled Triply Periodic Minimal Surfaces as moulds for Photonic Band Gap Materials
We propose systems with structures defined by self-assembled triply periodic
minimal surfaces (STPMS) as candidates for photonic bandgap materials. To
support our proposal we have calculated the photonic bands for different STPMS
and we have found that, at least, the double diamond and gyroid structures
present full photonic bandgaps. Given the great variety of systems which
crystalize in these structures, the diversity of possible materials that form
them and the range of lattice constants they present, the construction of
photonic bandgap materials with gaps in the visible range may be presently
within reach.Comment: 3 pages, 2 figures, RevTe
Topography and instability of monolayers near domain boundaries
We theoretically study the topography of a biphasic surfactant monolayer in
the vicinity of domain boundaries. The differing elastic properties of the two
phases generally lead to a nonflat topography of ``mesas'', where domains of
one phase are elevated with respect to the other phase. The mesas are steep but
low, having heights of up to 10 nm. As the monolayer is laterally compressed,
the mesas develop overhangs and eventually become unstable at a surface tension
of about K(dc)^2 (dc being the difference in spontaneous curvature and K a
bending modulus). In addition, the boundary is found to undergo a
topography-induced rippling instability upon compression, if its line tension
is smaller than about K(dc). The effect of diffuse boundaries on these features
and the topographic behavior near a critical point are also examined. We
discuss the relevance of our findings to several experimental observations
related to surfactant monolayers: (i) small topographic features recently found
near domain boundaries; (ii) folding behavior observed in mixed phospholipid
monolayers and model lung surfactants; (iii) roughening of domain boundaries
seen under lateral compression; (iv) the absence of biphasic structures in
tensionless surfactant films.Comment: 17 pages, 9 figures, using RevTeX and epsf, submitted to Phys Rev
Shape Coexistence and the Effective Nucleon-Nucleon Interaction
The phenomenon of shape coexistence is discussed within the self-consistent
Hartree-Fock method and the nuclear shell model. The occurrence of the
coexisting configurations with different intrinsic shapes is traced back to the
properties of the effective Hamiltonian.Comment: 40 pages (16 text, 24 figures). The file may also be retrieved at
http://csep2.phy.ornl.gov/theory_group/people/dean/shape_coex/shapes.htm
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